Iron in PDB 6x6u: WOR5 From Pyrococcus Furiosus, Taurine-Bound
Protein crystallography data
The structure of WOR5 From Pyrococcus Furiosus, Taurine-Bound, PDB code: 6x6u
was solved by
W.N.Lanzilotta,
L.G.Mathew,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.16 /
1.94
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
125.148,
127.501,
140.712,
90,
90,
90
|
R / Rfree (%)
|
17 /
19.6
|
Other elements in 6x6u:
The structure of WOR5 From Pyrococcus Furiosus, Taurine-Bound also contains other interesting chemical elements:
Iron Binding Sites:
Iron binding site 1 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 1 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe702
b:20.1
occ:1.00
|
FE1
|
A:SF4702
|
0.0
|
20.1
|
1.0
|
S3
|
A:SF4702
|
2.1
|
22.2
|
1.0
|
S2
|
A:SF4702
|
2.2
|
21.3
|
1.0
|
S4
|
A:SF4702
|
2.2
|
20.5
|
1.0
|
SG
|
A:CYS306
|
2.3
|
20.1
|
1.0
|
FE3
|
A:SF4702
|
2.7
|
19.7
|
1.0
|
FE4
|
A:SF4702
|
2.7
|
18.8
|
1.0
|
FE2
|
A:SF4702
|
2.8
|
18.9
|
1.0
|
CB
|
A:CYS306
|
3.4
|
17.1
|
1.0
|
S1
|
A:SF4702
|
3.8
|
20.1
|
1.0
|
N
|
A:CYS306
|
3.8
|
19.2
|
1.0
|
CA
|
A:CYS306
|
4.1
|
18.7
|
1.0
|
CG
|
A:MET307
|
4.1
|
19.2
|
1.0
|
CD2
|
A:PHE497
|
4.3
|
21.8
|
1.0
|
N
|
A:MET307
|
4.4
|
18.7
|
1.0
|
OD2
|
A:ASP299
|
4.4
|
19.0
|
1.0
|
C
|
A:CYS306
|
4.5
|
18.2
|
1.0
|
SG
|
A:CYS302
|
4.8
|
20.3
|
1.0
|
SD
|
A:MET307
|
4.8
|
25.9
|
1.0
|
SG
|
A:CYS495
|
4.9
|
19.7
|
1.0
|
C
|
A:ASN305
|
4.9
|
22.8
|
1.0
|
CB
|
A:PHE497
|
4.9
|
22.5
|
1.0
|
|
Iron binding site 2 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 2 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe702
b:18.9
occ:1.00
|
FE2
|
A:SF4702
|
0.0
|
18.9
|
1.0
|
S4
|
A:SF4702
|
2.1
|
20.5
|
1.0
|
S3
|
A:SF4702
|
2.2
|
22.2
|
1.0
|
S1
|
A:SF4702
|
2.2
|
20.1
|
1.0
|
SG
|
A:CYS495
|
2.4
|
19.7
|
1.0
|
FE3
|
A:SF4702
|
2.8
|
19.7
|
1.0
|
FE4
|
A:SF4702
|
2.8
|
18.8
|
1.0
|
FE1
|
A:SF4702
|
2.8
|
20.1
|
1.0
|
CB
|
A:CYS495
|
3.3
|
23.4
|
1.0
|
S2
|
A:SF4702
|
3.8
|
21.3
|
1.0
|
CB
|
A:PHE497
|
4.3
|
22.5
|
1.0
|
OG
|
A:SER96
|
4.4
|
23.4
|
1.0
|
CG2
|
A:VAL498
|
4.4
|
20.7
|
0.5
|
CD2
|
A:PHE497
|
4.4
|
21.8
|
1.0
|
OD2
|
A:ASP299
|
4.6
|
19.0
|
1.0
|
SG
|
A:CYS306
|
4.7
|
20.1
|
1.0
|
CA
|
A:CYS495
|
4.7
|
20.3
|
1.0
|
CG
|
A:PHE497
|
4.8
|
21.2
|
1.0
|
NZ
|
A:LYS77
|
4.8
|
22.7
|
1.0
|
SG
|
A:CYS302
|
4.8
|
20.3
|
1.0
|
CE
|
A:LYS77
|
4.8
|
23.6
|
1.0
|
|
Iron binding site 3 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 3 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe702
b:19.7
occ:1.00
|
FE3
|
A:SF4702
|
0.0
|
19.7
|
1.0
|
OD2
|
A:ASP299
|
2.0
|
19.0
|
1.0
|
S1
|
A:SF4702
|
2.2
|
20.1
|
1.0
|
S2
|
A:SF4702
|
2.2
|
21.3
|
1.0
|
S4
|
A:SF4702
|
2.2
|
20.5
|
1.0
|
FE4
|
A:SF4702
|
2.6
|
18.8
|
1.0
|
FE1
|
A:SF4702
|
2.7
|
20.1
|
1.0
|
FE2
|
A:SF4702
|
2.8
|
18.9
|
1.0
|
CG
|
A:ASP299
|
3.1
|
22.4
|
1.0
|
CB
|
A:ASP299
|
3.5
|
19.9
|
1.0
|
OG
|
A:SER96
|
3.6
|
23.4
|
1.0
|
S3
|
A:SF4702
|
3.6
|
22.2
|
1.0
|
N
|
A:ASP299
|
4.1
|
18.8
|
1.0
|
CB
|
A:SER96
|
4.1
|
19.2
|
1.0
|
OD1
|
A:ASP299
|
4.2
|
21.0
|
1.0
|
CG
|
A:MET307
|
4.5
|
19.2
|
1.0
|
CA
|
A:ASP299
|
4.5
|
17.3
|
1.0
|
CE1
|
A:HIS195
|
4.6
|
21.4
|
1.0
|
SG
|
A:CYS306
|
4.8
|
20.1
|
1.0
|
SG
|
A:CYS302
|
4.8
|
20.3
|
1.0
|
SG
|
A:CYS495
|
4.9
|
19.7
|
1.0
|
|
Iron binding site 4 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 4 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe702
b:18.8
occ:1.00
|
FE4
|
A:SF4702
|
0.0
|
18.8
|
1.0
|
S3
|
A:SF4702
|
2.2
|
22.2
|
1.0
|
S2
|
A:SF4702
|
2.2
|
21.3
|
1.0
|
S1
|
A:SF4702
|
2.2
|
20.1
|
1.0
|
SG
|
A:CYS302
|
2.3
|
20.3
|
1.0
|
FE3
|
A:SF4702
|
2.6
|
19.7
|
1.0
|
FE1
|
A:SF4702
|
2.7
|
20.1
|
1.0
|
FE2
|
A:SF4702
|
2.8
|
18.9
|
1.0
|
CB
|
A:CYS302
|
3.3
|
19.1
|
1.0
|
S4
|
A:SF4702
|
3.7
|
20.5
|
1.0
|
CG2
|
A:VAL498
|
4.3
|
20.7
|
0.5
|
OD2
|
A:ASP299
|
4.4
|
19.0
|
1.0
|
N
|
A:ASN305
|
4.4
|
19.2
|
1.0
|
CB
|
A:VAL304
|
4.5
|
21.1
|
1.0
|
CA
|
A:CYS302
|
4.6
|
20.0
|
1.0
|
N
|
A:ASP299
|
4.7
|
18.8
|
1.0
|
CA
|
A:GLY75
|
4.8
|
18.8
|
1.0
|
N
|
A:CYS306
|
4.8
|
19.2
|
1.0
|
CB
|
A:ASP299
|
4.9
|
19.9
|
1.0
|
SG
|
A:CYS306
|
4.9
|
20.1
|
1.0
|
SG
|
A:CYS495
|
4.9
|
19.7
|
1.0
|
|
Iron binding site 5 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 5 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:17.6
occ:1.00
|
FE1
|
B:SF4201
|
0.0
|
17.6
|
1.0
|
S2
|
B:SF4201
|
2.2
|
19.2
|
1.0
|
S3
|
B:SF4201
|
2.2
|
20.1
|
1.0
|
S4
|
B:SF4201
|
2.2
|
19.3
|
1.0
|
SG
|
B:CYS24
|
2.4
|
18.9
|
1.0
|
FE3
|
B:SF4201
|
2.7
|
15.4
|
1.0
|
FE2
|
B:SF4201
|
2.8
|
17.0
|
1.0
|
FE4
|
B:SF4201
|
2.8
|
17.7
|
1.0
|
CB
|
B:CYS24
|
3.3
|
18.9
|
1.0
|
S1
|
B:SF4201
|
3.8
|
19.9
|
1.0
|
N
|
B:CYS24
|
4.0
|
17.6
|
1.0
|
CG2
|
B:VAL45
|
4.2
|
21.0
|
1.0
|
CA
|
B:CYS24
|
4.3
|
20.8
|
1.0
|
CA
|
B:ARG22
|
4.5
|
18.7
|
1.0
|
N
|
B:ARG22
|
4.5
|
18.8
|
1.0
|
SG
|
B:CYS21
|
4.6
|
19.2
|
1.0
|
SG
|
B:CYS18
|
4.7
|
15.3
|
1.0
|
N
|
B:LEU23
|
4.7
|
19.2
|
1.0
|
CD1
|
B:LEU139
|
4.7
|
19.4
|
1.0
|
SG
|
B:CYS131
|
4.9
|
18.6
|
1.0
|
C
|
B:ARG22
|
4.9
|
19.3
|
1.0
|
|
Iron binding site 6 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 6 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:17.0
occ:1.00
|
FE2
|
B:SF4201
|
0.0
|
17.0
|
1.0
|
S3
|
B:SF4201
|
2.2
|
20.1
|
1.0
|
S1
|
B:SF4201
|
2.2
|
19.9
|
1.0
|
S4
|
B:SF4201
|
2.2
|
19.3
|
1.0
|
SG
|
B:CYS131
|
2.4
|
18.6
|
1.0
|
FE3
|
B:SF4201
|
2.7
|
15.4
|
1.0
|
FE1
|
B:SF4201
|
2.8
|
17.6
|
1.0
|
FE4
|
B:SF4201
|
2.8
|
17.7
|
1.0
|
CB
|
B:CYS131
|
3.2
|
17.8
|
1.0
|
S2
|
B:SF4201
|
3.7
|
19.2
|
1.0
|
CA
|
B:CYS131
|
4.0
|
19.8
|
1.0
|
CB
|
B:ALA138
|
4.1
|
15.7
|
1.0
|
CG
|
B:LEU139
|
4.4
|
16.1
|
1.0
|
CB
|
B:HIS136
|
4.4
|
15.7
|
1.0
|
CD1
|
B:LEU139
|
4.6
|
19.4
|
1.0
|
N
|
B:ALA138
|
4.7
|
18.2
|
1.0
|
CD2
|
B:HIS136
|
4.7
|
18.5
|
1.0
|
SG
|
B:CYS21
|
4.8
|
19.2
|
1.0
|
SG
|
B:CYS18
|
4.9
|
15.3
|
1.0
|
CA
|
B:ALA138
|
4.9
|
18.1
|
1.0
|
CG
|
B:HIS136
|
4.9
|
16.3
|
1.0
|
SG
|
B:CYS24
|
5.0
|
18.9
|
1.0
|
|
Iron binding site 7 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 7 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:15.4
occ:1.00
|
FE3
|
B:SF4201
|
0.0
|
15.4
|
1.0
|
S2
|
B:SF4201
|
2.2
|
19.2
|
1.0
|
S4
|
B:SF4201
|
2.2
|
19.3
|
1.0
|
S1
|
B:SF4201
|
2.2
|
19.9
|
1.0
|
SG
|
B:CYS18
|
2.3
|
15.3
|
1.0
|
FE2
|
B:SF4201
|
2.7
|
17.0
|
1.0
|
FE1
|
B:SF4201
|
2.7
|
17.6
|
1.0
|
FE4
|
B:SF4201
|
2.8
|
17.7
|
1.0
|
CB
|
B:CYS18
|
3.4
|
12.9
|
1.0
|
S3
|
B:SF4201
|
3.6
|
20.1
|
1.0
|
CA
|
B:CYS18
|
3.7
|
16.6
|
1.0
|
N
|
B:SER19
|
4.1
|
14.8
|
1.0
|
N
|
B:GLY20
|
4.2
|
17.7
|
1.0
|
CG
|
B:PRO55
|
4.2
|
18.2
|
1.0
|
CB
|
B:ALA138
|
4.3
|
15.7
|
1.0
|
C
|
B:CYS18
|
4.3
|
17.0
|
1.0
|
CG2
|
B:VAL45
|
4.6
|
21.0
|
1.0
|
SG
|
B:CYS131
|
4.8
|
18.6
|
1.0
|
CA
|
B:GLY20
|
4.8
|
16.9
|
1.0
|
OG
|
B:SER19
|
4.9
|
18.9
|
1.0
|
SG
|
B:CYS24
|
4.9
|
18.9
|
1.0
|
N
|
B:CYS21
|
4.9
|
16.3
|
1.0
|
N
|
B:CYS18
|
5.0
|
17.2
|
1.0
|
|
Iron binding site 8 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 8 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:17.7
occ:1.00
|
FE4
|
B:SF4201
|
0.0
|
17.7
|
1.0
|
S3
|
B:SF4201
|
2.2
|
20.1
|
1.0
|
S2
|
B:SF4201
|
2.2
|
19.2
|
1.0
|
S1
|
B:SF4201
|
2.2
|
19.9
|
1.0
|
SG
|
B:CYS21
|
2.3
|
19.2
|
1.0
|
FE3
|
B:SF4201
|
2.8
|
15.4
|
1.0
|
FE1
|
B:SF4201
|
2.8
|
17.6
|
1.0
|
FE2
|
B:SF4201
|
2.8
|
17.0
|
1.0
|
N
|
B:CYS21
|
3.6
|
16.3
|
1.0
|
CB
|
B:CYS21
|
3.6
|
17.8
|
1.0
|
N
|
B:ARG22
|
3.7
|
18.8
|
1.0
|
S4
|
B:SF4201
|
3.8
|
19.3
|
1.0
|
OG
|
B:SER19
|
3.9
|
18.9
|
1.0
|
CA
|
B:CYS21
|
4.0
|
19.7
|
1.0
|
CD2
|
B:HIS136
|
4.1
|
18.5
|
1.0
|
C
|
B:CYS21
|
4.2
|
21.3
|
1.0
|
N
|
B:LEU23
|
4.3
|
19.2
|
1.0
|
N
|
B:GLY20
|
4.5
|
17.7
|
1.0
|
CA
|
B:ARG22
|
4.5
|
18.7
|
1.0
|
C
|
B:GLY20
|
4.6
|
18.3
|
1.0
|
SG
|
B:CYS18
|
4.6
|
15.3
|
1.0
|
SG
|
B:CYS24
|
4.8
|
18.9
|
1.0
|
CG
|
B:HIS136
|
4.8
|
16.3
|
1.0
|
NE2
|
B:HIS136
|
4.8
|
19.0
|
1.0
|
N
|
B:SER19
|
4.9
|
14.8
|
1.0
|
SG
|
B:CYS131
|
4.9
|
18.6
|
1.0
|
CA
|
B:GLY20
|
4.9
|
16.9
|
1.0
|
C
|
B:ARG22
|
4.9
|
19.3
|
1.0
|
|
Iron binding site 9 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 9 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe202
b:20.2
occ:1.00
|
FE1
|
B:SF4202
|
0.0
|
20.2
|
1.0
|
S2
|
B:SF4202
|
2.1
|
19.1
|
1.0
|
S4
|
B:SF4202
|
2.2
|
19.9
|
1.0
|
S3
|
B:SF4202
|
2.2
|
22.7
|
1.0
|
SG
|
B:CYS66
|
2.4
|
24.3
|
1.0
|
FE2
|
B:SF4202
|
2.7
|
20.1
|
1.0
|
FE4
|
B:SF4202
|
2.8
|
18.8
|
1.0
|
FE3
|
B:SF4202
|
2.8
|
20.2
|
1.0
|
CB
|
B:CYS66
|
3.2
|
26.7
|
1.0
|
S1
|
B:SF4202
|
3.7
|
20.3
|
1.0
|
N
|
B:CYS66
|
4.0
|
23.0
|
1.0
|
CA
|
B:CYS66
|
4.3
|
23.6
|
1.0
|
CG2
|
B:VAL84
|
4.4
|
23.2
|
1.0
|
SG
|
B:CYS58
|
4.6
|
20.2
|
1.0
|
N
|
B:PRO65
|
4.9
|
25.3
|
1.0
|
SG
|
B:CYS101
|
4.9
|
19.1
|
1.0
|
CA
|
B:TYR64
|
4.9
|
24.5
|
1.0
|
CD
|
B:PRO65
|
4.9
|
22.6
|
1.0
|
SG
|
B:CYS61
|
5.0
|
22.9
|
1.0
|
C
|
B:TYR64
|
5.0
|
27.0
|
1.0
|
|
Iron binding site 10 out
of 40 in 6x6u
Go back to
Iron Binding Sites List in 6x6u
Iron binding site 10 out
of 40 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe202
b:20.1
occ:1.00
|
FE2
|
B:SF4202
|
0.0
|
20.1
|
1.0
|
S1
|
B:SF4202
|
2.1
|
20.3
|
1.0
|
S4
|
B:SF4202
|
2.2
|
19.9
|
1.0
|
S3
|
B:SF4202
|
2.2
|
22.7
|
1.0
|
SG
|
B:CYS58
|
2.4
|
20.2
|
1.0
|
FE1
|
B:SF4202
|
2.7
|
20.2
|
1.0
|
FE4
|
B:SF4202
|
2.8
|
18.8
|
1.0
|
FE3
|
B:SF4202
|
2.8
|
20.2
|
1.0
|
CB
|
B:CYS58
|
3.3
|
20.9
|
1.0
|
S2
|
B:SF4202
|
3.7
|
19.1
|
1.0
|
CA
|
B:CYS58
|
3.7
|
17.7
|
1.0
|
N
|
B:VAL59
|
4.0
|
15.7
|
1.0
|
N
|
B:GLN60
|
4.1
|
20.2
|
1.0
|
C
|
B:CYS58
|
4.4
|
23.2
|
1.0
|
CA
|
B:GLN60
|
4.7
|
21.8
|
1.0
|
SG
|
B:CYS61
|
4.8
|
22.9
|
1.0
|
CG2
|
B:ILE117
|
4.8
|
20.6
|
1.0
|
CG1
|
B:VAL105
|
4.8
|
21.6
|
1.0
|
CB
|
B:VAL105
|
4.8
|
21.9
|
1.0
|
CG2
|
B:VAL84
|
4.8
|
23.2
|
1.0
|
SG
|
B:CYS66
|
4.8
|
24.3
|
1.0
|
N
|
B:CYS61
|
4.9
|
18.4
|
1.0
|
SG
|
B:CYS101
|
4.9
|
19.1
|
1.0
|
|
Reference:
W.N.Lanzilotta,
L.G.Mathew.
A Novel Function For WOR5 Revealed Through in Situ Crystallography and Biochemical Analysis To Be Published.
Page generated: Wed Aug 7 14:37:34 2024
|