Iron in PDB 4ydd: Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Protein crystallography data
The structure of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps, PDB code: 4ydd
was solved by
C.-L.Tsai,
M.D.Youngblut,
J.A.Tainer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.35 /
1.86
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
132.827,
175.501,
193.160,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.1 /
23.7
|
Other elements in 4ydd:
The structure of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps also contains other interesting chemical elements:
Iron Binding Sites:
Iron binding site 1 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 1 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1001
b:13.7
occ:1.00
|
FE1
|
A:SF41001
|
0.0
|
13.7
|
1.0
|
S2
|
A:SF41001
|
2.2
|
17.1
|
1.0
|
SG
|
A:CYS74
|
2.2
|
15.0
|
1.0
|
S3
|
A:SF41001
|
2.2
|
14.1
|
1.0
|
S4
|
A:SF41001
|
2.2
|
19.2
|
1.0
|
FE3
|
A:SF41001
|
2.7
|
13.7
|
1.0
|
FE2
|
A:SF41001
|
2.7
|
13.7
|
1.0
|
FE4
|
A:SF41001
|
2.8
|
14.6
|
1.0
|
H
|
A:GLY77
|
3.2
|
18.1
|
1.0
|
HB3
|
A:CYS74
|
3.3
|
16.5
|
1.0
|
CB
|
A:CYS74
|
3.4
|
13.7
|
1.0
|
HA3
|
A:GLY77
|
3.5
|
17.4
|
1.0
|
H
|
A:CYS74
|
3.7
|
18.2
|
1.0
|
N
|
A:CYS74
|
3.8
|
15.2
|
1.0
|
N
|
A:GLY77
|
3.8
|
15.1
|
1.0
|
S1
|
A:SF41001
|
3.9
|
14.0
|
1.0
|
HB2
|
A:LYS76
|
3.9
|
17.9
|
1.0
|
HE2
|
A:LYS76
|
4.0
|
17.7
|
1.0
|
CA
|
A:CYS74
|
4.1
|
14.8
|
1.0
|
CA
|
A:GLY77
|
4.1
|
14.5
|
1.0
|
O
|
A:HOH1591
|
4.1
|
15.2
|
1.0
|
HB2
|
A:CYS74
|
4.2
|
16.5
|
1.0
|
HA2
|
A:GLY77
|
4.3
|
17.4
|
1.0
|
C
|
A:GLY73
|
4.3
|
14.9
|
1.0
|
HA2
|
A:GLY73
|
4.4
|
17.3
|
1.0
|
C
|
A:CYS74
|
4.5
|
14.4
|
1.0
|
ND1
|
A:HIS32
|
4.6
|
15.5
|
1.0
|
H
|
A:LYS76
|
4.6
|
17.5
|
1.0
|
O
|
A:CYS74
|
4.7
|
15.5
|
1.0
|
O
|
A:GLY73
|
4.8
|
14.4
|
1.0
|
HB2
|
A:CYS36
|
4.8
|
19.1
|
1.0
|
HG21
|
A:VAL769
|
4.8
|
18.1
|
1.0
|
CB
|
A:LYS76
|
4.8
|
14.9
|
1.0
|
C
|
A:LYS76
|
4.9
|
15.3
|
1.0
|
CA
|
A:GLY73
|
4.9
|
14.4
|
1.0
|
SG
|
A:CYS40
|
4.9
|
13.3
|
1.0
|
HG3
|
A:PRO210
|
4.9
|
18.4
|
1.0
|
CE
|
A:LYS76
|
4.9
|
14.7
|
1.0
|
SG
|
A:CYS36
|
4.9
|
14.7
|
1.0
|
HA
|
A:CYS74
|
4.9
|
17.7
|
1.0
|
HA3
|
A:GLY38
|
5.0
|
19.7
|
1.0
|
|
Iron binding site 2 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 2 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1001
b:13.7
occ:1.00
|
FE2
|
A:SF41001
|
0.0
|
13.7
|
1.0
|
S3
|
A:SF41001
|
2.2
|
14.1
|
1.0
|
S4
|
A:SF41001
|
2.2
|
19.2
|
1.0
|
S1
|
A:SF41001
|
2.2
|
14.0
|
1.0
|
SG
|
A:CYS36
|
2.3
|
14.7
|
1.0
|
FE4
|
A:SF41001
|
2.7
|
14.6
|
1.0
|
FE3
|
A:SF41001
|
2.7
|
13.7
|
1.0
|
FE1
|
A:SF41001
|
2.7
|
13.7
|
1.0
|
HB2
|
A:CYS36
|
3.2
|
19.1
|
1.0
|
CB
|
A:CYS36
|
3.2
|
15.9
|
1.0
|
HB3
|
A:CYS36
|
3.4
|
19.1
|
1.0
|
HA3
|
A:GLY38
|
3.4
|
19.7
|
1.0
|
H
|
A:GLY38
|
3.7
|
20.5
|
1.0
|
S2
|
A:SF41001
|
3.7
|
17.1
|
1.0
|
HG23
|
A:VAL34
|
3.8
|
20.0
|
1.0
|
HB2
|
A:HIS32
|
4.0
|
20.4
|
1.0
|
CA
|
A:GLY38
|
4.2
|
16.4
|
1.0
|
HG21
|
A:VAL769
|
4.3
|
18.1
|
1.0
|
O
|
A:HOH1609
|
4.3
|
17.1
|
1.0
|
N
|
A:GLY38
|
4.3
|
17.1
|
1.0
|
H
|
A:ALA39
|
4.3
|
20.8
|
1.0
|
CG2
|
A:VAL34
|
4.4
|
16.6
|
1.0
|
HG22
|
A:VAL34
|
4.5
|
20.0
|
1.0
|
HG21
|
A:VAL34
|
4.5
|
20.0
|
1.0
|
CA
|
A:CYS36
|
4.6
|
15.1
|
1.0
|
H
|
A:CYS40
|
4.7
|
19.7
|
1.0
|
SG
|
A:CYS74
|
4.7
|
15.0
|
1.0
|
SG
|
A:CYS40
|
4.8
|
13.3
|
1.0
|
N
|
A:ALA39
|
4.8
|
17.3
|
1.0
|
H
|
A:CYS36
|
4.8
|
19.1
|
1.0
|
ND1
|
A:HIS32
|
4.8
|
15.5
|
1.0
|
CB
|
A:HIS32
|
4.8
|
17.0
|
1.0
|
HG22
|
A:VAL769
|
4.9
|
18.1
|
1.0
|
HB2
|
A:CYS40
|
4.9
|
18.7
|
1.0
|
HA2
|
A:GLY38
|
4.9
|
19.7
|
1.0
|
C
|
A:GLY38
|
4.9
|
16.5
|
1.0
|
O
|
A:HOH1591
|
5.0
|
15.2
|
1.0
|
HB3
|
A:HIS32
|
5.0
|
20.4
|
1.0
|
HG3
|
A:PRO210
|
5.0
|
18.4
|
1.0
|
|
Iron binding site 3 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 3 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1001
b:13.7
occ:1.00
|
FE3
|
A:SF41001
|
0.0
|
13.7
|
1.0
|
S2
|
A:SF41001
|
2.2
|
17.1
|
1.0
|
S1
|
A:SF41001
|
2.2
|
14.0
|
1.0
|
ND1
|
A:HIS32
|
2.2
|
15.5
|
1.0
|
S4
|
A:SF41001
|
2.2
|
19.2
|
1.0
|
FE4
|
A:SF41001
|
2.6
|
14.6
|
1.0
|
FE1
|
A:SF41001
|
2.7
|
13.7
|
1.0
|
FE2
|
A:SF41001
|
2.7
|
13.7
|
1.0
|
HB2
|
A:HIS32
|
2.7
|
20.4
|
1.0
|
CG
|
A:HIS32
|
3.1
|
17.2
|
1.0
|
CE1
|
A:HIS32
|
3.2
|
16.9
|
1.0
|
HA3
|
A:GLY77
|
3.3
|
17.4
|
1.0
|
CB
|
A:HIS32
|
3.4
|
17.0
|
1.0
|
HE1
|
A:HIS32
|
3.4
|
20.3
|
1.0
|
HA2
|
A:GLY77
|
3.7
|
17.4
|
1.0
|
S3
|
A:SF41001
|
3.7
|
14.1
|
1.0
|
HB2
|
A:CYS40
|
3.8
|
18.7
|
1.0
|
HB3
|
A:HIS32
|
3.8
|
20.4
|
1.0
|
HE1
|
A:HIS42
|
3.9
|
18.6
|
1.0
|
CA
|
A:GLY77
|
4.0
|
14.5
|
1.0
|
O
|
A:HOH1469
|
4.2
|
18.0
|
1.0
|
CD2
|
A:HIS32
|
4.3
|
17.1
|
1.0
|
NE2
|
A:HIS32
|
4.3
|
16.7
|
1.0
|
H
|
A:HIS32
|
4.3
|
22.5
|
1.0
|
CE1
|
A:HIS42
|
4.4
|
15.5
|
1.0
|
H
|
A:CYS40
|
4.4
|
19.7
|
1.0
|
H
|
A:GLY77
|
4.4
|
18.1
|
1.0
|
N
|
A:GLY77
|
4.6
|
15.1
|
1.0
|
CB
|
A:CYS40
|
4.6
|
15.6
|
1.0
|
CA
|
A:HIS32
|
4.6
|
18.2
|
1.0
|
HA2
|
A:GLY73
|
4.7
|
17.3
|
1.0
|
SG
|
A:CYS40
|
4.8
|
13.3
|
1.0
|
SG
|
A:CYS74
|
4.8
|
15.0
|
1.0
|
N
|
A:HIS32
|
4.8
|
18.7
|
1.0
|
SG
|
A:CYS36
|
4.8
|
14.7
|
1.0
|
HG22
|
A:VAL34
|
4.9
|
20.0
|
1.0
|
HD1
|
A:HIS42
|
4.9
|
19.5
|
1.0
|
ND1
|
A:HIS42
|
4.9
|
16.2
|
1.0
|
|
Iron binding site 4 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 4 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1001
b:14.6
occ:1.00
|
FE4
|
A:SF41001
|
0.0
|
14.6
|
1.0
|
S2
|
A:SF41001
|
2.2
|
17.1
|
1.0
|
S1
|
A:SF41001
|
2.2
|
14.0
|
1.0
|
S3
|
A:SF41001
|
2.2
|
14.1
|
1.0
|
SG
|
A:CYS40
|
2.4
|
13.3
|
1.0
|
HB2
|
A:CYS40
|
2.6
|
18.7
|
1.0
|
FE3
|
A:SF41001
|
2.6
|
13.7
|
1.0
|
FE2
|
A:SF41001
|
2.7
|
13.7
|
1.0
|
FE1
|
A:SF41001
|
2.8
|
13.7
|
1.0
|
CB
|
A:CYS40
|
3.0
|
15.6
|
1.0
|
HA3
|
A:GLY38
|
3.1
|
19.7
|
1.0
|
H
|
A:CYS40
|
3.4
|
19.7
|
1.0
|
HA2
|
A:GLY73
|
3.6
|
17.3
|
1.0
|
HB3
|
A:CYS40
|
3.7
|
18.7
|
1.0
|
HG3
|
A:PRO210
|
3.7
|
18.4
|
1.0
|
S4
|
A:SF41001
|
3.7
|
19.2
|
1.0
|
HE1
|
A:HIS42
|
3.8
|
18.6
|
1.0
|
H
|
A:GLY73
|
3.9
|
17.6
|
1.0
|
CA
|
A:GLY38
|
4.0
|
16.4
|
1.0
|
N
|
A:CYS40
|
4.0
|
16.4
|
1.0
|
CA
|
A:CYS40
|
4.1
|
15.1
|
1.0
|
CA
|
A:GLY73
|
4.2
|
14.4
|
1.0
|
C
|
A:GLY38
|
4.4
|
16.5
|
1.0
|
C
|
A:GLY73
|
4.4
|
14.9
|
1.0
|
HA2
|
A:GLY38
|
4.4
|
19.7
|
1.0
|
N
|
A:GLY73
|
4.5
|
14.6
|
1.0
|
SG
|
A:CYS36
|
4.6
|
14.7
|
1.0
|
H
|
A:ALA39
|
4.6
|
20.8
|
1.0
|
N
|
A:ALA39
|
4.6
|
17.3
|
1.0
|
HB3
|
A:CYS74
|
4.6
|
16.5
|
1.0
|
ND1
|
A:HIS32
|
4.6
|
15.5
|
1.0
|
H
|
A:CYS74
|
4.6
|
18.2
|
1.0
|
HB3
|
A:PRO210
|
4.6
|
16.3
|
1.0
|
CG
|
A:PRO210
|
4.6
|
15.3
|
1.0
|
N
|
A:CYS74
|
4.7
|
15.2
|
1.0
|
CE1
|
A:HIS42
|
4.7
|
15.5
|
1.0
|
H
|
A:GLY38
|
4.7
|
20.5
|
1.0
|
HA
|
A:CYS40
|
4.7
|
18.1
|
1.0
|
SG
|
A:CYS74
|
4.8
|
15.0
|
1.0
|
O
|
A:GLY73
|
4.8
|
14.4
|
1.0
|
O
|
A:HOH1469
|
4.8
|
18.0
|
1.0
|
HA3
|
A:GLY77
|
4.9
|
17.4
|
1.0
|
HB3
|
A:ARG72
|
4.9
|
17.2
|
1.0
|
N
|
A:GLY38
|
4.9
|
17.1
|
1.0
|
HB2
|
A:HIS32
|
4.9
|
20.4
|
1.0
|
HD3
|
A:PRO210
|
4.9
|
16.4
|
1.0
|
O
|
A:GLY38
|
4.9
|
15.8
|
1.0
|
|
Iron binding site 5 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 5 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe401
b:20.7
occ:1.00
|
FE1
|
B:F3S401
|
0.0
|
20.7
|
1.0
|
S2
|
B:F3S401
|
2.2
|
23.0
|
1.0
|
S1
|
B:F3S401
|
2.3
|
21.2
|
1.0
|
S3
|
B:F3S401
|
2.3
|
19.1
|
1.0
|
SG
|
B:CYS170
|
2.3
|
22.4
|
1.0
|
FE3
|
B:F3S401
|
2.6
|
20.5
|
1.0
|
FE4
|
B:F3S401
|
2.7
|
20.0
|
1.0
|
H
|
B:GLY172
|
2.8
|
30.6
|
1.0
|
HB2
|
B:CYS170
|
3.3
|
26.2
|
1.0
|
CB
|
B:CYS170
|
3.3
|
21.9
|
1.0
|
H
|
B:ALA173
|
3.3
|
24.5
|
1.0
|
H
|
B:LYS171
|
3.3
|
29.9
|
1.0
|
HA
|
B:CYS170
|
3.4
|
28.2
|
1.0
|
H
|
B:ALA194
|
3.6
|
25.2
|
1.0
|
N
|
B:GLY172
|
3.6
|
25.5
|
1.0
|
HA2
|
B:GLY172
|
3.8
|
27.4
|
1.0
|
CA
|
B:CYS170
|
3.8
|
23.5
|
1.0
|
S4
|
B:F3S401
|
3.8
|
22.1
|
1.0
|
HB3
|
B:ALA194
|
3.8
|
23.4
|
1.0
|
N
|
B:LYS171
|
3.9
|
24.9
|
1.0
|
H
|
B:GLN174
|
4.0
|
26.4
|
1.0
|
N
|
B:ALA173
|
4.0
|
20.4
|
1.0
|
HB3
|
B:ALA153
|
4.1
|
27.1
|
1.0
|
HB2
|
B:ALA194
|
4.1
|
23.4
|
1.0
|
CA
|
B:GLY172
|
4.2
|
22.8
|
1.0
|
HB3
|
B:CYS170
|
4.2
|
26.2
|
1.0
|
C
|
B:CYS170
|
4.3
|
24.7
|
1.0
|
CB
|
B:ALA194
|
4.4
|
19.5
|
1.0
|
N
|
B:ALA194
|
4.5
|
21.0
|
1.0
|
HA
|
B:LYS193
|
4.5
|
27.4
|
1.0
|
HG21
|
B:ILE165
|
4.5
|
23.1
|
1.0
|
HG23
|
B:ILE165
|
4.5
|
23.1
|
1.0
|
HB3
|
B:ALA173
|
4.5
|
23.2
|
1.0
|
C
|
B:GLY172
|
4.6
|
22.8
|
1.0
|
C
|
B:LYS171
|
4.7
|
26.9
|
1.0
|
HD22
|
B:ASN151
|
4.7
|
32.1
|
1.0
|
CB
|
B:ALA153
|
4.8
|
22.5
|
1.0
|
HB2
|
B:ALA153
|
4.8
|
27.1
|
1.0
|
HB1
|
B:ALA153
|
4.8
|
27.1
|
1.0
|
N
|
B:GLN174
|
4.8
|
22.0
|
1.0
|
SG
|
B:CYS149
|
4.8
|
23.8
|
1.0
|
SG
|
B:CYS176
|
4.9
|
18.1
|
1.0
|
CG2
|
B:ILE165
|
4.9
|
19.2
|
1.0
|
CA
|
B:LYS171
|
4.9
|
27.2
|
1.0
|
|
Iron binding site 6 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 6 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe401
b:20.5
occ:1.00
|
FE3
|
B:F3S401
|
0.0
|
20.5
|
1.0
|
S3
|
B:F3S401
|
2.2
|
19.1
|
1.0
|
S4
|
B:F3S401
|
2.2
|
22.1
|
1.0
|
S1
|
B:F3S401
|
2.2
|
21.2
|
1.0
|
SG
|
B:CYS149
|
2.5
|
23.8
|
1.0
|
FE1
|
B:F3S401
|
2.6
|
20.7
|
1.0
|
FE4
|
B:F3S401
|
2.6
|
20.0
|
1.0
|
HB2
|
B:CYS149
|
3.2
|
28.1
|
1.0
|
CB
|
B:CYS149
|
3.4
|
23.4
|
1.0
|
HB3
|
B:ALA153
|
3.4
|
27.1
|
1.0
|
HD2
|
B:PRO150
|
3.4
|
30.5
|
1.0
|
HA
|
B:CYS149
|
3.5
|
28.8
|
1.0
|
HB3
|
B:ALA173
|
3.6
|
23.2
|
1.0
|
S2
|
B:F3S401
|
3.8
|
23.0
|
1.0
|
HD22
|
B:ASN151
|
3.9
|
32.1
|
1.0
|
H
|
B:ALA173
|
4.0
|
24.5
|
1.0
|
CA
|
B:CYS149
|
4.0
|
24.0
|
1.0
|
HB2
|
B:ASN151
|
4.1
|
30.8
|
1.0
|
H
|
B:ASN151
|
4.1
|
31.6
|
1.0
|
HG13
|
B:ILE154
|
4.2
|
25.9
|
1.0
|
HA
|
B:CYS170
|
4.2
|
28.2
|
1.0
|
HB3
|
B:CYS149
|
4.2
|
28.1
|
1.0
|
CB
|
B:ALA153
|
4.3
|
22.5
|
1.0
|
H
|
B:ALA153
|
4.3
|
28.0
|
1.0
|
HB2
|
B:ALA153
|
4.3
|
27.1
|
1.0
|
CD
|
B:PRO150
|
4.4
|
25.4
|
1.0
|
H
|
B:LYS171
|
4.4
|
29.9
|
1.0
|
H
|
B:GLN174
|
4.4
|
26.4
|
1.0
|
HB3
|
B:CYS176
|
4.5
|
22.5
|
1.0
|
CB
|
B:ALA173
|
4.5
|
19.3
|
1.0
|
H
|
B:CYS176
|
4.5
|
24.6
|
1.0
|
HD11
|
B:ILE154
|
4.6
|
26.1
|
1.0
|
HB2
|
B:ALA173
|
4.6
|
23.2
|
1.0
|
H
|
B:GLY172
|
4.7
|
30.6
|
1.0
|
ND2
|
B:ASN151
|
4.7
|
26.7
|
1.0
|
C
|
B:CYS149
|
4.7
|
25.2
|
1.0
|
SG
|
B:CYS170
|
4.7
|
22.4
|
1.0
|
N
|
B:ALA173
|
4.7
|
20.4
|
1.0
|
HB2
|
B:CYS170
|
4.8
|
26.2
|
1.0
|
HB1
|
B:ALA153
|
4.8
|
27.1
|
1.0
|
HD3
|
B:PRO150
|
4.8
|
30.5
|
1.0
|
N
|
B:PRO150
|
4.8
|
26.7
|
1.0
|
H
|
B:ALA175
|
4.8
|
26.1
|
1.0
|
HB3
|
B:ALA175
|
4.9
|
27.1
|
1.0
|
SG
|
B:CYS176
|
4.9
|
18.1
|
1.0
|
HD12
|
B:ILE154
|
4.9
|
26.1
|
1.0
|
N
|
B:ASN151
|
4.9
|
26.3
|
1.0
|
CB
|
B:ASN151
|
5.0
|
25.6
|
1.0
|
|
Iron binding site 7 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 7 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe401
b:20.0
occ:1.00
|
FE4
|
B:F3S401
|
0.0
|
20.0
|
1.0
|
S3
|
B:F3S401
|
2.2
|
19.1
|
1.0
|
S2
|
B:F3S401
|
2.2
|
23.0
|
1.0
|
S4
|
B:F3S401
|
2.2
|
22.1
|
1.0
|
SG
|
B:CYS176
|
2.4
|
18.1
|
1.0
|
FE3
|
B:F3S401
|
2.6
|
20.5
|
1.0
|
FE1
|
B:F3S401
|
2.7
|
20.7
|
1.0
|
H
|
B:CYS176
|
3.1
|
24.6
|
1.0
|
HB3
|
B:CYS176
|
3.1
|
22.5
|
1.0
|
H
|
B:GLN174
|
3.3
|
26.4
|
1.0
|
CB
|
B:CYS176
|
3.3
|
18.7
|
1.0
|
HB2
|
B:ALA194
|
3.5
|
23.4
|
1.0
|
HA
|
B:GLN174
|
3.7
|
25.5
|
1.0
|
HB3
|
B:ALA194
|
3.7
|
23.4
|
1.0
|
HD11
|
B:ILE154
|
3.8
|
26.1
|
1.0
|
N
|
B:CYS176
|
3.8
|
20.5
|
1.0
|
S1
|
B:F3S401
|
4.0
|
21.2
|
1.0
|
N
|
B:GLN174
|
4.0
|
22.0
|
1.0
|
CB
|
B:ALA194
|
4.0
|
19.5
|
1.0
|
HB2
|
B:CYS176
|
4.1
|
22.5
|
1.0
|
H
|
B:ALA175
|
4.1
|
26.1
|
1.0
|
CA
|
B:GLN174
|
4.2
|
21.3
|
1.0
|
CA
|
B:CYS176
|
4.2
|
19.7
|
1.0
|
H
|
B:ALA173
|
4.3
|
24.5
|
1.0
|
H
|
B:VAL177
|
4.3
|
22.5
|
1.0
|
HB2
|
B:CYS149
|
4.4
|
28.1
|
1.0
|
HB3
|
B:ALA173
|
4.4
|
23.2
|
1.0
|
N
|
B:ALA175
|
4.4
|
21.8
|
1.0
|
HB1
|
B:ALA194
|
4.4
|
23.4
|
1.0
|
C
|
B:GLN174
|
4.6
|
22.2
|
1.0
|
CD1
|
B:ILE154
|
4.6
|
21.7
|
1.0
|
HD12
|
B:ILE154
|
4.6
|
26.1
|
1.0
|
HG23
|
B:VAL177
|
4.7
|
22.7
|
1.0
|
HD13
|
B:ILE165
|
4.7
|
21.0
|
1.0
|
SG
|
B:CYS170
|
4.7
|
22.4
|
1.0
|
H
|
B:ALA194
|
4.7
|
25.2
|
1.0
|
HA
|
B:CYS149
|
4.8
|
28.8
|
1.0
|
HG13
|
B:ILE154
|
4.8
|
25.9
|
1.0
|
SG
|
B:CYS149
|
4.8
|
23.8
|
1.0
|
N
|
B:ALA173
|
4.8
|
20.4
|
1.0
|
HB3
|
B:ALA175
|
4.9
|
27.1
|
1.0
|
HA
|
B:CYS176
|
4.9
|
23.7
|
1.0
|
C
|
B:ALA175
|
5.0
|
21.1
|
1.0
|
N
|
B:VAL177
|
5.0
|
18.8
|
1.0
|
CB
|
B:CYS149
|
5.0
|
23.4
|
1.0
|
|
Iron binding site 8 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 8 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:16.7
occ:1.00
|
FE1
|
B:SF4402
|
0.0
|
16.7
|
1.0
|
S2
|
B:SF4402
|
2.2
|
18.9
|
1.0
|
S4
|
B:SF4402
|
2.2
|
19.4
|
1.0
|
S3
|
B:SF4402
|
2.2
|
20.2
|
1.0
|
SG
|
B:CYS180
|
2.3
|
17.3
|
1.0
|
FE2
|
B:SF4402
|
2.7
|
16.9
|
1.0
|
FE4
|
B:SF4402
|
2.7
|
15.8
|
1.0
|
FE3
|
B:SF4402
|
2.8
|
16.7
|
1.0
|
HB2
|
B:CYS180
|
3.0
|
22.9
|
1.0
|
CB
|
B:CYS180
|
3.2
|
19.1
|
1.0
|
HD2
|
B:TYR182
|
3.5
|
21.7
|
1.0
|
HD3
|
B:PRO185
|
3.6
|
20.0
|
1.0
|
HB2
|
B:LYS184
|
3.7
|
18.9
|
1.0
|
HA
|
B:CYS180
|
3.7
|
22.7
|
1.0
|
HB2
|
B:TYR182
|
3.7
|
20.2
|
1.0
|
S1
|
B:SF4402
|
3.7
|
17.7
|
1.0
|
HD2
|
B:PRO181
|
3.8
|
23.7
|
1.0
|
HB3
|
B:CYS180
|
4.0
|
22.9
|
1.0
|
CA
|
B:CYS180
|
4.1
|
18.9
|
1.0
|
HB3
|
B:CYS145
|
4.1
|
24.2
|
1.0
|
H
|
B:TYR182
|
4.1
|
22.0
|
1.0
|
H
|
B:LYS184
|
4.2
|
19.2
|
1.0
|
CD2
|
B:TYR182
|
4.3
|
18.1
|
1.0
|
H
|
B:CYS145
|
4.5
|
26.9
|
1.0
|
CD
|
B:PRO185
|
4.6
|
16.7
|
1.0
|
CB
|
B:LYS184
|
4.6
|
15.8
|
1.0
|
HG3
|
B:PRO185
|
4.6
|
20.7
|
1.0
|
CB
|
B:TYR182
|
4.6
|
16.8
|
1.0
|
H
|
B:ASN138
|
4.6
|
18.5
|
1.0
|
SG
|
B:CYS145
|
4.7
|
18.1
|
1.0
|
CD
|
B:PRO181
|
4.7
|
19.7
|
1.0
|
C
|
B:CYS180
|
4.8
|
19.8
|
1.0
|
HD22
|
B:ASN138
|
4.8
|
19.1
|
1.0
|
CB
|
B:CYS145
|
4.9
|
20.1
|
1.0
|
HB3
|
B:LYS184
|
4.9
|
18.9
|
1.0
|
HA
|
B:CYS137
|
4.9
|
18.5
|
1.0
|
SG
|
B:CYS137
|
4.9
|
17.0
|
1.0
|
N
|
B:LYS184
|
4.9
|
16.0
|
1.0
|
SG
|
B:CYS140
|
5.0
|
17.4
|
1.0
|
N
|
B:TYR182
|
5.0
|
18.4
|
1.0
|
CG
|
B:TYR182
|
5.0
|
18.0
|
1.0
|
HD2
|
B:PRO185
|
5.0
|
20.0
|
1.0
|
|
Iron binding site 9 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 9 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:16.9
occ:1.00
|
FE2
|
B:SF4402
|
0.0
|
16.9
|
1.0
|
S1
|
B:SF4402
|
2.2
|
17.7
|
1.0
|
S4
|
B:SF4402
|
2.2
|
19.4
|
1.0
|
S3
|
B:SF4402
|
2.2
|
20.2
|
1.0
|
SG
|
B:CYS145
|
2.3
|
18.1
|
1.0
|
FE1
|
B:SF4402
|
2.7
|
16.7
|
1.0
|
FE4
|
B:SF4402
|
2.7
|
15.8
|
1.0
|
FE3
|
B:SF4402
|
2.8
|
16.7
|
1.0
|
HB3
|
B:CYS145
|
3.0
|
24.2
|
1.0
|
H
|
B:CYS145
|
3.1
|
26.9
|
1.0
|
CB
|
B:CYS145
|
3.3
|
20.1
|
1.0
|
S2
|
B:SF4402
|
3.7
|
18.9
|
1.0
|
HG11
|
B:VAL163
|
3.9
|
23.2
|
1.0
|
HB3
|
B:PRO143
|
3.9
|
25.4
|
1.0
|
N
|
B:CYS145
|
3.9
|
22.4
|
1.0
|
HB2
|
B:PRO143
|
3.9
|
25.4
|
1.0
|
HE2
|
B:LYS196
|
3.9
|
20.8
|
1.0
|
HB2
|
B:CYS145
|
4.0
|
24.2
|
1.0
|
HA
|
B:PRO143
|
4.0
|
25.5
|
1.0
|
HB2
|
B:CYS180
|
4.0
|
22.9
|
1.0
|
CA
|
B:CYS145
|
4.2
|
20.1
|
1.0
|
CB
|
B:PRO143
|
4.3
|
21.1
|
1.0
|
H
|
B:ALA144
|
4.4
|
25.3
|
1.0
|
H
|
B:LEU146
|
4.5
|
24.6
|
1.0
|
CA
|
B:PRO143
|
4.5
|
21.2
|
1.0
|
SG
|
B:CYS137
|
4.6
|
17.0
|
1.0
|
N
|
B:ALA144
|
4.7
|
21.1
|
1.0
|
SG
|
B:CYS180
|
4.7
|
17.3
|
1.0
|
HG3
|
B:PRO185
|
4.7
|
20.7
|
1.0
|
HB2
|
B:CYS140
|
4.8
|
23.4
|
1.0
|
CB
|
B:CYS180
|
4.8
|
19.1
|
1.0
|
C
|
B:PRO143
|
4.8
|
22.3
|
1.0
|
CG1
|
B:VAL163
|
4.8
|
19.3
|
1.0
|
H
|
B:CYS140
|
4.8
|
21.4
|
1.0
|
CE
|
B:LYS196
|
4.9
|
17.3
|
1.0
|
HA
|
B:CYS145
|
4.9
|
24.1
|
1.0
|
HA
|
B:CYS180
|
5.0
|
22.7
|
1.0
|
HG21
|
B:VAL163
|
5.0
|
23.5
|
1.0
|
HG12
|
B:VAL163
|
5.0
|
23.2
|
1.0
|
HD3
|
B:PRO185
|
5.0
|
20.0
|
1.0
|
|
Iron binding site 10 out
of 57 in 4ydd
Go back to
Iron Binding Sites List in 4ydd
Iron binding site 10 out
of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystal Structure of the Perchlorate Reductase Pcrab From Azospira Suillum Ps within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:16.7
occ:1.00
|
FE3
|
B:SF4402
|
0.0
|
16.7
|
1.0
|
S4
|
B:SF4402
|
2.2
|
19.4
|
1.0
|
S1
|
B:SF4402
|
2.2
|
17.7
|
1.0
|
S2
|
B:SF4402
|
2.3
|
18.9
|
1.0
|
SG
|
B:CYS140
|
2.4
|
17.4
|
1.0
|
FE1
|
B:SF4402
|
2.8
|
16.7
|
1.0
|
FE2
|
B:SF4402
|
2.8
|
16.9
|
1.0
|
FE4
|
B:SF4402
|
2.8
|
15.8
|
1.0
|
HB2
|
B:CYS140
|
3.2
|
23.4
|
1.0
|
H
|
B:CYS140
|
3.2
|
21.4
|
1.0
|
CB
|
B:CYS140
|
3.4
|
19.5
|
1.0
|
HA
|
B:PRO143
|
3.6
|
25.5
|
1.0
|
HB2
|
B:ASN138
|
3.7
|
19.9
|
1.0
|
S3
|
B:SF4402
|
3.9
|
20.2
|
1.0
|
H
|
B:ASN138
|
3.9
|
18.5
|
1.0
|
HG1
|
B:THR252
|
4.0
|
25.2
|
1.0
|
HD2
|
B:TYR182
|
4.0
|
21.7
|
1.0
|
N
|
B:CYS140
|
4.0
|
17.9
|
1.0
|
HB3
|
B:CYS140
|
4.1
|
23.4
|
1.0
|
HB
|
B:THR252
|
4.1
|
25.2
|
1.0
|
HB3
|
B:PRO143
|
4.2
|
25.4
|
1.0
|
H
|
B:HIS139
|
4.3
|
20.6
|
1.0
|
H
|
B:ALA144
|
4.3
|
25.3
|
1.0
|
CA
|
B:CYS140
|
4.4
|
18.2
|
1.0
|
HD22
|
B:ASN138
|
4.4
|
19.1
|
1.0
|
HE2
|
B:TYR182
|
4.5
|
21.9
|
1.0
|
N
|
B:HIS139
|
4.5
|
17.2
|
1.0
|
HG21
|
B:THR252
|
4.5
|
26.0
|
1.0
|
CA
|
B:PRO143
|
4.5
|
21.2
|
1.0
|
OG1
|
B:THR252
|
4.6
|
21.0
|
1.0
|
SG
|
B:CYS137
|
4.6
|
17.0
|
1.0
|
CD2
|
B:TYR182
|
4.6
|
18.1
|
1.0
|
CB
|
B:ASN138
|
4.6
|
16.6
|
1.0
|
N
|
B:ASN138
|
4.7
|
15.4
|
1.0
|
HD2
|
B:PRO181
|
4.7
|
23.7
|
1.0
|
H
|
B:CYS145
|
4.7
|
26.9
|
1.0
|
CB
|
B:THR252
|
4.8
|
21.0
|
1.0
|
CB
|
B:PRO143
|
4.8
|
21.1
|
1.0
|
HA
|
B:CYS140
|
4.8
|
21.9
|
1.0
|
HA
|
B:HIS139
|
4.9
|
19.7
|
1.0
|
CE2
|
B:TYR182
|
4.9
|
18.3
|
1.0
|
C
|
B:ASN138
|
4.9
|
16.6
|
1.0
|
SG
|
B:CYS145
|
4.9
|
18.1
|
1.0
|
SG
|
B:CYS180
|
4.9
|
17.3
|
1.0
|
N
|
B:ALA144
|
5.0
|
21.1
|
1.0
|
CA
|
B:ASN138
|
5.0
|
16.6
|
1.0
|
|
Reference:
M.D.Youngblut,
C.L.Tsai,
I.C.Clark,
H.K.Carlson,
A.P.Maglaqui,
P.S.Gau-Pan,
S.A.Redford,
A.Wong,
J.A.Tainer,
J.D.Coates.
Perchlorate Reductase Is Distinguished By Active Site Aromatic Gate Residues. J.Biol.Chem. V. 291 9190 2016.
ISSN: ESSN 1083-351X
PubMed: 26940877
DOI: 10.1074/JBC.M116.714618
Page generated: Mon Aug 5 16:09:41 2024
|