Iron in PDB 1rcw: Crystal Structure of CT610 From Chlamydia Trachomatis
Protein crystallography data
The structure of Crystal Structure of CT610 From Chlamydia Trachomatis, PDB code: 1rcw
was solved by
R.Schwarzenbacher,
R.C.Liddington,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.88 /
2.50
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.553,
192.966,
93.740,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.1 /
25.8
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of CT610 From Chlamydia Trachomatis
(pdb code 1rcw). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the
Crystal Structure of CT610 From Chlamydia Trachomatis, PDB code: 1rcw:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 1rcw
Go back to
Iron Binding Sites List in 1rcw
Iron binding site 1 out
of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis
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 CT610 From Chlamydia Trachomatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:38.3
occ:1.00
|
OE2
|
A:GLU81
|
2.2
|
44.7
|
1.0
|
ND1
|
A:HIS88
|
2.2
|
31.5
|
1.0
|
O
|
A:HOH501
|
2.3
|
24.3
|
1.0
|
NE2
|
A:HIS174
|
2.3
|
44.1
|
1.0
|
O
|
A:HOH500
|
3.0
|
47.8
|
1.0
|
CD
|
A:GLU81
|
3.1
|
38.3
|
1.0
|
CE1
|
A:HIS88
|
3.1
|
31.0
|
1.0
|
CD2
|
A:HIS174
|
3.2
|
36.8
|
1.0
|
CE1
|
A:HIS174
|
3.2
|
40.1
|
1.0
|
FE
|
A:FE402
|
3.3
|
33.6
|
1.0
|
OE1
|
A:GLU81
|
3.3
|
31.4
|
1.0
|
CG
|
A:HIS88
|
3.3
|
23.8
|
1.0
|
CB
|
A:HIS88
|
3.7
|
23.8
|
1.0
|
OD1
|
A:ASP178
|
4.2
|
43.5
|
1.0
|
NE2
|
A:HIS88
|
4.3
|
31.7
|
1.0
|
OH
|
A:TYR170
|
4.3
|
33.5
|
1.0
|
ND1
|
A:HIS174
|
4.3
|
45.0
|
1.0
|
CG
|
A:HIS174
|
4.3
|
35.9
|
1.0
|
CD2
|
A:HIS88
|
4.4
|
24.0
|
1.0
|
CG
|
A:GLU81
|
4.5
|
37.8
|
1.0
|
O
|
A:HOH519
|
4.5
|
38.8
|
1.0
|
OE1
|
A:GLU142
|
4.6
|
42.5
|
1.0
|
CE1
|
A:TYR170
|
4.8
|
33.6
|
1.0
|
CZ
|
A:TYR170
|
4.8
|
28.6
|
1.0
|
OD2
|
A:ASP178
|
4.8
|
54.2
|
1.0
|
CB
|
A:GLU81
|
4.8
|
26.1
|
1.0
|
CA
|
A:GLU81
|
4.9
|
27.0
|
1.0
|
|
Iron binding site 2 out
of 6 in 1rcw
Go back to
Iron Binding Sites List in 1rcw
Iron binding site 2 out
of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis
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 CT610 From Chlamydia Trachomatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe402
b:33.6
occ:1.00
|
OE1
|
A:GLU142
|
1.8
|
42.5
|
1.0
|
OD1
|
A:ASP178
|
2.3
|
43.5
|
1.0
|
OE1
|
A:GLU81
|
2.4
|
31.4
|
1.0
|
ND1
|
A:HIS181
|
2.5
|
32.4
|
1.0
|
CD
|
A:GLU142
|
3.0
|
40.8
|
1.0
|
O
|
A:HOH500
|
3.1
|
47.8
|
1.0
|
CE1
|
A:HIS181
|
3.1
|
34.8
|
1.0
|
CG
|
A:ASP178
|
3.2
|
33.4
|
1.0
|
FE
|
A:FE401
|
3.3
|
38.3
|
1.0
|
CD
|
A:GLU81
|
3.4
|
38.3
|
1.0
|
OD2
|
A:ASP178
|
3.4
|
54.2
|
1.0
|
CG
|
A:HIS181
|
3.6
|
29.1
|
1.0
|
OE2
|
A:GLU81
|
3.7
|
44.7
|
1.0
|
CG
|
A:GLU142
|
3.8
|
38.9
|
1.0
|
O
|
A:HOH530
|
3.9
|
31.5
|
1.0
|
OE2
|
A:GLU142
|
4.0
|
31.7
|
1.0
|
CB
|
A:HIS181
|
4.1
|
25.2
|
1.0
|
NE2
|
A:HIS181
|
4.4
|
30.3
|
1.0
|
CB
|
A:ASP178
|
4.4
|
34.0
|
1.0
|
CD2
|
A:HIS174
|
4.4
|
36.8
|
1.0
|
NE2
|
A:HIS174
|
4.5
|
44.1
|
1.0
|
CD2
|
A:HIS181
|
4.6
|
26.6
|
1.0
|
CA
|
A:ASP178
|
4.6
|
31.1
|
1.0
|
ND1
|
A:HIS88
|
4.7
|
31.5
|
1.0
|
CG
|
A:GLU81
|
4.8
|
37.8
|
1.0
|
CE1
|
A:HIS88
|
4.8
|
31.0
|
1.0
|
CE2
|
A:PHE54
|
4.9
|
26.1
|
1.0
|
CB
|
A:GLU142
|
5.0
|
26.8
|
1.0
|
|
Iron binding site 3 out
of 6 in 1rcw
Go back to
Iron Binding Sites List in 1rcw
Iron binding site 3 out
of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis
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 CT610 From Chlamydia Trachomatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe403
b:40.2
occ:1.00
|
ND1
|
B:HIS88
|
2.0
|
31.7
|
1.0
|
NE2
|
B:HIS174
|
2.2
|
44.0
|
1.0
|
OE2
|
B:GLU81
|
2.2
|
44.5
|
1.0
|
O
|
B:HOH503
|
2.5
|
26.7
|
1.0
|
CE1
|
B:HIS88
|
2.8
|
30.9
|
1.0
|
O
|
B:HOH502
|
3.0
|
43.4
|
1.0
|
CG
|
B:HIS88
|
3.1
|
24.2
|
1.0
|
CE1
|
B:HIS174
|
3.1
|
40.1
|
1.0
|
CD
|
B:GLU81
|
3.1
|
38.4
|
1.0
|
CD2
|
B:HIS174
|
3.2
|
36.7
|
1.0
|
FE
|
B:FE404
|
3.4
|
34.5
|
1.0
|
OE1
|
B:GLU81
|
3.5
|
31.9
|
1.0
|
CB
|
B:HIS88
|
3.6
|
24.2
|
1.0
|
NE2
|
B:HIS88
|
4.0
|
32.0
|
1.0
|
CD2
|
B:HIS88
|
4.1
|
23.9
|
1.0
|
ND1
|
B:HIS174
|
4.2
|
45.3
|
1.0
|
OD1
|
B:ASP178
|
4.3
|
43.9
|
1.0
|
CG
|
B:HIS174
|
4.3
|
36.0
|
1.0
|
OH
|
B:TYR170
|
4.3
|
33.5
|
1.0
|
CG
|
B:GLU81
|
4.5
|
38.0
|
1.0
|
CA
|
B:GLU81
|
4.8
|
26.8
|
1.0
|
CB
|
B:GLU81
|
4.8
|
26.4
|
1.0
|
CE1
|
B:TYR170
|
4.8
|
33.5
|
1.0
|
CZ
|
B:TYR170
|
4.8
|
28.4
|
1.0
|
OE1
|
B:GLU142
|
4.9
|
42.6
|
1.0
|
OD2
|
B:ASP178
|
4.9
|
54.4
|
1.0
|
|
Iron binding site 4 out
of 6 in 1rcw
Go back to
Iron Binding Sites List in 1rcw
Iron binding site 4 out
of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis
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 CT610 From Chlamydia Trachomatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe404
b:34.5
occ:1.00
|
OE1
|
B:GLU142
|
1.9
|
42.6
|
1.0
|
ND1
|
B:HIS181
|
2.3
|
32.4
|
1.0
|
OE1
|
B:GLU81
|
2.4
|
31.9
|
1.0
|
OD1
|
B:ASP178
|
2.4
|
43.9
|
1.0
|
O
|
B:HOH502
|
3.0
|
43.4
|
1.0
|
CE1
|
B:HIS181
|
3.0
|
35.0
|
1.0
|
CD
|
B:GLU142
|
3.1
|
40.9
|
1.0
|
CG
|
B:ASP178
|
3.2
|
33.9
|
1.0
|
FE
|
B:FE403
|
3.4
|
40.2
|
1.0
|
CD
|
B:GLU81
|
3.4
|
38.4
|
1.0
|
OD2
|
B:ASP178
|
3.5
|
54.4
|
1.0
|
CG
|
B:HIS181
|
3.5
|
29.5
|
1.0
|
O
|
B:HOH537
|
3.6
|
32.8
|
1.0
|
OE2
|
B:GLU81
|
3.7
|
44.5
|
1.0
|
CG
|
B:GLU142
|
3.9
|
38.7
|
1.0
|
OE2
|
B:GLU142
|
4.0
|
32.0
|
1.0
|
CB
|
B:HIS181
|
4.1
|
25.6
|
1.0
|
NE2
|
B:HIS181
|
4.2
|
30.1
|
1.0
|
CD2
|
B:HIS174
|
4.5
|
36.7
|
1.0
|
CB
|
B:ASP178
|
4.5
|
33.8
|
1.0
|
CD2
|
B:HIS181
|
4.5
|
26.6
|
1.0
|
NE2
|
B:HIS174
|
4.5
|
44.0
|
1.0
|
CA
|
B:ASP178
|
4.7
|
31.1
|
1.0
|
ND1
|
B:HIS88
|
4.7
|
31.7
|
1.0
|
CG
|
B:GLU81
|
4.7
|
38.0
|
1.0
|
CE1
|
B:HIS88
|
4.7
|
30.9
|
1.0
|
CE2
|
B:PHE54
|
5.0
|
26.2
|
1.0
|
N
|
B:ASP178
|
5.0
|
29.4
|
1.0
|
|
Iron binding site 5 out
of 6 in 1rcw
Go back to
Iron Binding Sites List in 1rcw
Iron binding site 5 out
of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis
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 CT610 From Chlamydia Trachomatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe405
b:57.2
occ:1.00
|
ND1
|
C:HIS88
|
2.0
|
28.4
|
1.0
|
OE2
|
C:GLU81
|
2.3
|
51.4
|
1.0
|
NE2
|
C:HIS174
|
2.4
|
36.6
|
1.0
|
O
|
C:HOH425
|
2.8
|
45.8
|
1.0
|
CE1
|
C:HIS174
|
2.8
|
41.3
|
1.0
|
CD
|
C:GLU81
|
2.9
|
35.1
|
1.0
|
OE1
|
C:GLU81
|
3.0
|
44.4
|
1.0
|
CE1
|
C:HIS88
|
3.0
|
40.2
|
1.0
|
CG
|
C:HIS88
|
3.0
|
25.4
|
1.0
|
FE
|
C:FE406
|
3.1
|
68.1
|
1.0
|
CB
|
C:HIS88
|
3.4
|
18.4
|
1.0
|
CD2
|
C:HIS174
|
3.7
|
38.5
|
1.0
|
NE2
|
C:HIS88
|
4.1
|
31.7
|
1.0
|
ND1
|
C:HIS174
|
4.1
|
43.0
|
1.0
|
CD2
|
C:HIS88
|
4.1
|
35.3
|
1.0
|
CG
|
C:GLU81
|
4.3
|
32.0
|
1.0
|
OH
|
C:TYR170
|
4.4
|
29.2
|
1.0
|
CG
|
C:HIS174
|
4.5
|
42.5
|
1.0
|
OD1
|
C:ASP178
|
4.7
|
42.0
|
1.0
|
CE1
|
C:TYR170
|
4.7
|
22.5
|
1.0
|
CA
|
C:GLU81
|
4.7
|
25.4
|
1.0
|
OD2
|
C:ASP178
|
4.7
|
55.8
|
1.0
|
CB
|
C:GLU81
|
4.8
|
26.4
|
1.0
|
CA
|
C:HIS88
|
4.8
|
20.1
|
1.0
|
CZ
|
C:TYR170
|
4.9
|
18.0
|
1.0
|
OE1
|
C:GLU142
|
4.9
|
45.8
|
1.0
|
|
Iron binding site 6 out
of 6 in 1rcw
Go back to
Iron Binding Sites List in 1rcw
Iron binding site 6 out
of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis
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 CT610 From Chlamydia Trachomatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe406
b:68.1
occ:1.00
|
OE1
|
C:GLU81
|
2.1
|
44.4
|
1.0
|
OD1
|
C:ASP178
|
2.2
|
42.0
|
1.0
|
OE1
|
C:GLU142
|
2.3
|
45.8
|
1.0
|
ND1
|
C:HIS181
|
2.6
|
42.7
|
1.0
|
FE
|
C:FE405
|
3.1
|
57.2
|
1.0
|
CE1
|
C:HIS181
|
3.2
|
41.7
|
1.0
|
CG
|
C:ASP178
|
3.2
|
55.1
|
1.0
|
CD
|
C:GLU81
|
3.3
|
35.1
|
1.0
|
OD2
|
C:ASP178
|
3.4
|
55.8
|
1.0
|
CD
|
C:GLU142
|
3.5
|
34.6
|
1.0
|
OE2
|
C:GLU81
|
3.8
|
51.4
|
1.0
|
CG
|
C:HIS181
|
3.8
|
47.5
|
1.0
|
NE2
|
C:HIS174
|
3.9
|
36.6
|
1.0
|
CG
|
C:GLU142
|
4.1
|
30.8
|
1.0
|
ND1
|
C:HIS88
|
4.2
|
28.4
|
1.0
|
CD2
|
C:HIS174
|
4.3
|
38.5
|
1.0
|
CE1
|
C:HIS88
|
4.4
|
40.2
|
1.0
|
CB
|
C:HIS181
|
4.4
|
47.5
|
1.0
|
NE2
|
C:HIS181
|
4.4
|
40.7
|
1.0
|
OE2
|
C:GLU142
|
4.5
|
25.4
|
1.0
|
CG
|
C:GLU81
|
4.5
|
32.0
|
1.0
|
CB
|
C:ASP178
|
4.6
|
54.2
|
1.0
|
CD2
|
C:HIS181
|
4.8
|
42.2
|
1.0
|
CE2
|
C:PHE54
|
4.8
|
20.5
|
1.0
|
CE1
|
C:HIS174
|
4.8
|
41.3
|
1.0
|
CA
|
C:ASP178
|
4.9
|
53.7
|
1.0
|
|
Reference:
R.Schwarzenbacher,
F.Stenner-Liewen,
H.Liewen,
H.Robinson,
H.Yuan,
E.Bossy-Wetzel,
J.C.Reed,
R.C.Liddington.
Structure of the Chlamydia Protein Cadd Reveals A Redox Enzyme That Modulates Host Cell Apoptosis. J.Biol.Chem. V. 279 29320 2004.
ISSN: ISSN 0021-9258
PubMed: 15087448
DOI: 10.1074/JBC.M401268200
Page generated: Sat Aug 3 14:14:42 2024
|