Iron in PDB 7rds: Structure of Human NTHL1

Enzymatic activity of Structure of Human NTHL1

All present enzymatic activity of Structure of Human NTHL1:
4.2.99.18;

Protein crystallography data

The structure of Structure of Human NTHL1, PDB code: 7rds was solved by B.L.Carroll, K.E.Zahn, S.Doublie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.85 / 2.50
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 124.8, 124.8, 42.25, 90, 90, 120
R / Rfree (%) 20 / 24.5

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Human NTHL1 (pdb code 7rds). 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, PDB code: 7rds:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7rds

Go back to Iron Binding Sites List in 7rds
Iron binding site 1 out of 4 in the Structure of Human NTHL1


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:70.0
occ:1.00
FE1 A:SF4401 0.0 70.0 1.0
SG A:CYS300 2.3 76.2 1.0
S3 A:SF4401 2.3 67.8 1.0
S2 A:SF4401 2.3 90.2 1.0
S4 A:SF4401 2.3 68.1 1.0
FE2 A:SF4401 2.7 68.1 1.0
FE3 A:SF4401 2.7 76.2 1.0
FE4 A:SF4401 2.7 70.8 1.0
CB A:CYS300 3.2 84.2 1.0
S1 A:SF4401 3.9 74.2 1.0
CZ A:PHE285 4.1 69.2 1.0
CB A:ASN302 4.3 88.2 1.0
CA A:CYS300 4.6 98.8 1.0
CG2 A:THR289 4.7 86.1 1.0
SG A:CYS297 4.8 73.5 1.0
C A:ASN302 4.8 92.9 1.0
CE2 A:PHE285 4.8 75.9 1.0
N A:ASN302 4.8 89.0 1.0
CA A:CYS297 4.8 94.2 1.0
SG A:CYS290 4.9 63.1 1.0
ND2 A:ASN302 4.9 101.9 1.0
CA A:ASN302 4.9 90.2 1.0
CB A:CYS306 4.9 98.2 1.0
O A:ASN302 4.9 99.8 1.0

Iron binding site 2 out of 4 in 7rds

Go back to Iron Binding Sites List in 7rds
Iron binding site 2 out of 4 in the Structure of Human NTHL1


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:68.1
occ:1.00
FE2 A:SF4401 0.0 68.1 1.0
S3 A:SF4401 2.3 67.8 1.0
S4 A:SF4401 2.3 68.1 1.0
S1 A:SF4401 2.3 74.2 1.0
SG A:CYS290 2.4 63.1 1.0
FE3 A:SF4401 2.7 76.2 1.0
FE1 A:SF4401 2.7 70.0 1.0
FE4 A:SF4401 2.7 70.8 1.0
CB A:CYS290 3.6 78.0 1.0
S2 A:SF4401 3.9 90.2 1.0
CA A:CYS290 4.1 72.5 1.0
NH1 A:ARG248 4.4 68.4 1.0
CD A:ARG248 4.5 65.0 1.0
CE2 A:PHE285 4.5 75.9 1.0
SG A:CYS306 4.5 94.3 1.0
CZ A:PHE285 4.6 69.2 1.0
CB A:PRO295 4.8 67.7 1.0
SG A:CYS300 4.8 76.2 1.0
SG A:CYS297 4.8 73.5 1.0
N A:CYS290 4.9 63.4 1.0
O A:HOH557 4.9 101.2 1.0

Iron binding site 3 out of 4 in 7rds

Go back to Iron Binding Sites List in 7rds
Iron binding site 3 out of 4 in the Structure of Human NTHL1


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:76.2
occ:1.00
FE3 A:SF4401 0.0 76.2 1.0
SG A:CYS297 2.3 73.5 1.0
S4 A:SF4401 2.3 68.1 1.0
S1 A:SF4401 2.3 74.2 1.0
S2 A:SF4401 2.3 90.2 1.0
FE2 A:SF4401 2.7 68.1 1.0
FE1 A:SF4401 2.7 70.0 1.0
FE4 A:SF4401 2.7 70.8 1.0
CB A:CYS297 3.4 92.5 1.0
CA A:CYS297 3.7 94.2 1.0
S3 A:SF4401 3.9 67.8 1.0
N A:CYS297 4.1 87.0 1.0
CG A:PRO295 4.2 68.7 1.0
CB A:PRO295 4.2 67.7 1.0
CB A:ALA309 4.6 78.9 1.0
CB A:CYS300 4.6 84.2 1.0
SG A:CYS300 4.7 76.2 1.0
C A:ARG296 4.8 97.5 1.0
SG A:CYS290 4.8 63.1 1.0
SG A:CYS306 4.9 94.3 1.0
CA A:ALA309 4.9 91.5 1.0

Iron binding site 4 out of 4 in 7rds

Go back to Iron Binding Sites List in 7rds
Iron binding site 4 out of 4 in the Structure of Human NTHL1


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:70.8
occ:1.00
FE4 A:SF4401 0.0 70.8 1.0
S3 A:SF4401 2.3 67.8 1.0
S1 A:SF4401 2.3 74.2 1.0
S2 A:SF4401 2.3 90.2 1.0
SG A:CYS306 2.5 94.3 1.0
CB A:CYS306 2.7 98.2 1.0
FE3 A:SF4401 2.7 76.2 1.0
FE1 A:SF4401 2.7 70.0 1.0
FE2 A:SF4401 2.7 68.1 1.0
CB A:ALA309 3.8 78.9 1.0
S4 A:SF4401 3.9 68.1 1.0
CA A:CYS306 4.2 107.9 1.0
O A:ASN302 4.3 99.8 1.0
CA A:ALA309 4.4 91.5 1.0
CD2 A:LEU249 4.5 87.7 1.0
SG A:CYS297 4.6 73.5 1.0
O A:HOH557 4.6 101.2 1.0
CB A:ASN302 4.7 88.2 1.0
N A:ALA309 4.7 99.5 1.0
SG A:CYS300 4.8 76.2 1.0
C A:ASN302 4.8 92.9 1.0
N A:CYS306 4.9 84.5 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 Mar 31 03:20:53 2022

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