Iron in PDB 7rdt: Structure of Human NTHL1 - Linker 1 Chimera
Enzymatic activity of Structure of Human NTHL1 - Linker 1 Chimera
All present enzymatic activity of Structure of Human NTHL1 - Linker 1 Chimera:
4.2.99.18;
Protein crystallography data
The structure of Structure of Human NTHL1 - Linker 1 Chimera, PDB code: 7rdt
was solved by
B.L.Carroll,
S.Doublie,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.05 /
2.10
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
42.37,
71.68,
86.52,
90,
90,
90
|
R / Rfree (%)
|
18.1 /
23.1
|
Iron Binding Sites:
The binding sites of Iron atom in the Structure of Human NTHL1 - Linker 1 Chimera
(pdb code 7rdt). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Structure of Human NTHL1 - Linker 1 Chimera, PDB code: 7rdt:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 7rdt
Go back to
Iron Binding Sites List in 7rdt
Iron binding site 1 out
of 4 in the Structure of Human NTHL1 - Linker 1 Chimera
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of Human NTHL1 - Linker 1 Chimera within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:30.5
occ:1.00
|
FE1
|
A:SF4401
|
0.0
|
30.5
|
1.0
|
SG
|
A:CYS293
|
2.3
|
31.0
|
1.0
|
S3
|
A:SF4401
|
2.3
|
28.1
|
1.0
|
S4
|
A:SF4401
|
2.3
|
32.8
|
1.0
|
S2
|
A:SF4401
|
2.3
|
29.4
|
1.0
|
FE2
|
A:SF4401
|
2.7
|
21.9
|
1.0
|
FE3
|
A:SF4401
|
2.7
|
28.5
|
1.0
|
FE4
|
A:SF4401
|
2.7
|
26.9
|
1.0
|
CB
|
A:CYS293
|
3.1
|
39.4
|
1.0
|
S1
|
A:SF4401
|
3.9
|
26.1
|
1.0
|
CZ
|
A:PHE278
|
3.9
|
32.1
|
1.0
|
CB
|
A:ASN295
|
4.2
|
31.8
|
1.0
|
CA
|
A:CYS293
|
4.6
|
47.3
|
1.0
|
CA
|
A:CYS290
|
4.6
|
36.3
|
1.0
|
CE2
|
A:PHE278
|
4.7
|
26.3
|
1.0
|
SG
|
A:CYS290
|
4.8
|
36.0
|
1.0
|
C
|
A:ASN295
|
4.8
|
31.5
|
1.0
|
CE1
|
A:PHE278
|
4.8
|
36.1
|
1.0
|
N
|
A:ASN295
|
4.9
|
45.2
|
1.0
|
CA
|
A:ASN295
|
4.9
|
41.4
|
1.0
|
N
|
A:GLN296
|
4.9
|
35.4
|
1.0
|
CG2
|
A:THR282
|
4.9
|
36.9
|
1.0
|
CB
|
A:CYS290
|
4.9
|
37.0
|
1.0
|
SG
|
A:CYS299
|
4.9
|
27.0
|
1.0
|
CB
|
A:CYS299
|
5.0
|
28.8
|
1.0
|
SG
|
A:CYS283
|
5.0
|
24.7
|
1.0
|
|
Iron binding site 2 out
of 4 in 7rdt
Go back to
Iron Binding Sites List in 7rdt
Iron binding site 2 out
of 4 in the Structure of Human NTHL1 - Linker 1 Chimera
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of Human NTHL1 - Linker 1 Chimera within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:21.9
occ:1.00
|
FE2
|
A:SF4401
|
0.0
|
21.9
|
1.0
|
S3
|
A:SF4401
|
2.3
|
28.1
|
1.0
|
S4
|
A:SF4401
|
2.3
|
32.8
|
1.0
|
S1
|
A:SF4401
|
2.3
|
26.1
|
1.0
|
SG
|
A:CYS283
|
2.5
|
24.7
|
1.0
|
FE1
|
A:SF4401
|
2.7
|
30.5
|
1.0
|
FE3
|
A:SF4401
|
2.7
|
28.5
|
1.0
|
FE4
|
A:SF4401
|
2.7
|
26.9
|
1.0
|
CB
|
A:CYS283
|
3.3
|
25.6
|
1.0
|
S2
|
A:SF4401
|
3.9
|
29.4
|
1.0
|
CA
|
A:CYS283
|
3.9
|
28.2
|
1.0
|
CE2
|
A:PHE278
|
4.3
|
26.3
|
1.0
|
CZ
|
A:PHE278
|
4.3
|
32.1
|
1.0
|
CD
|
A:ARG241
|
4.5
|
17.1
|
1.0
|
CB
|
A:PRO288
|
4.5
|
32.1
|
1.0
|
NH1
|
A:ARG241
|
4.6
|
21.6
|
1.0
|
SG
|
A:CYS299
|
4.7
|
27.0
|
1.0
|
SG
|
A:CYS293
|
4.8
|
31.0
|
1.0
|
N
|
A:CYS283
|
4.8
|
32.8
|
1.0
|
SG
|
A:CYS290
|
4.9
|
36.0
|
1.0
|
|
Iron binding site 3 out
of 4 in 7rdt
Go back to
Iron Binding Sites List in 7rdt
Iron binding site 3 out
of 4 in the Structure of Human NTHL1 - Linker 1 Chimera
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of Human NTHL1 - Linker 1 Chimera within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:28.5
occ:1.00
|
FE3
|
A:SF4401
|
0.0
|
28.5
|
1.0
|
S1
|
A:SF4401
|
2.3
|
26.1
|
1.0
|
S4
|
A:SF4401
|
2.3
|
32.8
|
1.0
|
S2
|
A:SF4401
|
2.3
|
29.4
|
1.0
|
SG
|
A:CYS290
|
2.3
|
36.0
|
1.0
|
FE4
|
A:SF4401
|
2.7
|
26.9
|
1.0
|
FE2
|
A:SF4401
|
2.7
|
21.9
|
1.0
|
FE1
|
A:SF4401
|
2.7
|
30.5
|
1.0
|
CB
|
A:CYS290
|
3.2
|
37.0
|
1.0
|
CA
|
A:CYS290
|
3.6
|
36.3
|
1.0
|
S3
|
A:SF4401
|
3.9
|
28.1
|
1.0
|
N
|
A:CYS290
|
4.0
|
36.2
|
1.0
|
CB
|
A:PRO288
|
4.0
|
32.1
|
1.0
|
CG
|
A:PRO288
|
4.3
|
31.0
|
1.0
|
CB
|
A:ALA302
|
4.5
|
21.3
|
1.0
|
SG
|
A:CYS299
|
4.7
|
27.0
|
1.0
|
CB
|
A:CYS293
|
4.7
|
39.4
|
1.0
|
SG
|
A:CYS293
|
4.8
|
31.0
|
1.0
|
C
|
A:ARG289
|
4.8
|
36.9
|
1.0
|
SG
|
A:CYS283
|
4.9
|
24.7
|
1.0
|
C
|
A:CYS290
|
4.9
|
39.1
|
1.0
|
C
|
A:PRO288
|
4.9
|
39.8
|
1.0
|
|
Iron binding site 4 out
of 4 in 7rdt
Go back to
Iron Binding Sites List in 7rdt
Iron binding site 4 out
of 4 in the Structure of Human NTHL1 - Linker 1 Chimera
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of Human NTHL1 - Linker 1 Chimera within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:26.9
occ:1.00
|
FE4
|
A:SF4401
|
0.0
|
26.9
|
1.0
|
SG
|
A:CYS299
|
2.3
|
27.0
|
1.0
|
S1
|
A:SF4401
|
2.3
|
26.1
|
1.0
|
S3
|
A:SF4401
|
2.3
|
28.1
|
1.0
|
S2
|
A:SF4401
|
2.3
|
29.4
|
1.0
|
FE3
|
A:SF4401
|
2.7
|
28.5
|
1.0
|
FE1
|
A:SF4401
|
2.7
|
30.5
|
1.0
|
FE2
|
A:SF4401
|
2.7
|
21.9
|
1.0
|
CB
|
A:CYS299
|
3.0
|
28.8
|
1.0
|
S4
|
A:SF4401
|
3.9
|
32.8
|
1.0
|
CD2
|
A:LEU242
|
4.3
|
27.8
|
1.0
|
CB
|
A:ALA302
|
4.3
|
21.3
|
1.0
|
CA
|
A:CYS299
|
4.4
|
26.9
|
1.0
|
N
|
A:ALA302
|
4.6
|
28.2
|
1.0
|
SG
|
A:CYS290
|
4.7
|
36.0
|
1.0
|
SG
|
A:CYS293
|
4.8
|
31.0
|
1.0
|
O
|
A:ASN295
|
4.8
|
32.2
|
1.0
|
CB
|
A:ASN295
|
4.9
|
31.8
|
1.0
|
CB
|
A:ALA301
|
4.9
|
26.2
|
1.0
|
SG
|
A:CYS283
|
5.0
|
24.7
|
1.0
|
|
Reference:
B.L.Carroll,
K.E.Zahn,
J.P.Hanley,
S.S.Wallace,
J.A.Dragon,
S.Doublie.
Caught in Motion: Human NTHL1 Undergoes Interdomain Rearrangement Necessary For Catalysis. Nucleic Acids Res. V. 49 13165 2021.
ISSN: ESSN 1362-4962
PubMed: 34871433
DOI: 10.1093/NAR/GKAB1162
Page generated: Thu Aug 8 23:40:15 2024
|