5AO3
Crystal structure of human SAMHD1 (amino acid residues 115-626) bound to GTP
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE FE A 1584 |
Chain | Residue |
A | HIS167 |
A | HIS206 |
A | ASP207 |
A | ASP311 |
A | SO41588 |
site_id | AC2 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE GTP A 1585 |
Chain | Residue |
A | ASP137 |
A | GLN142 |
A | ARG145 |
A | PHE165 |
C | VAL156 |
C | VAL378 |
C | ARG451 |
A | LYS116 |
A | VAL117 |
A | ILE118 |
A | ILE136 |
site_id | AC3 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 1586 |
Chain | Residue |
A | GLN326 |
A | ARG372 |
A | SO41587 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 A 1587 |
Chain | Residue |
A | HIS364 |
A | SER368 |
A | ARG371 |
A | ARG372 |
A | SO41586 |
site_id | AC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 A 1588 |
Chain | Residue |
A | ARG164 |
A | HIS206 |
A | ASP207 |
A | HIS210 |
A | HIS233 |
A | ASP311 |
A | FE1584 |
site_id | AC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE FE B 1584 |
Chain | Residue |
B | HIS167 |
B | HIS206 |
B | ASP207 |
B | ASP311 |
B | SO41588 |
site_id | AC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 B 1585 |
Chain | Residue |
A | ARG352 |
B | HIS364 |
B | SER368 |
B | ARG371 |
B | ARG372 |
B | SO41586 |
site_id | AC8 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 B 1586 |
Chain | Residue |
B | GLN326 |
B | ARG372 |
B | SO41585 |
site_id | AC9 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 B 1587 |
Chain | Residue |
B | ARG470 |
B | ASN504 |
site_id | BC1 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE SO4 B 1588 |
Chain | Residue |
B | ARG164 |
B | HIS167 |
B | HIS206 |
B | ASP207 |
B | HIS210 |
B | HIS233 |
B | ASP311 |
B | FE1584 |
site_id | BC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE FE C 1584 |
Chain | Residue |
C | HIS167 |
C | HIS206 |
C | ASP207 |
C | ASP311 |
C | SO41587 |
site_id | BC3 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE GTP C 1585 |
Chain | Residue |
A | TYR155 |
A | VAL156 |
A | VAL378 |
A | ARG451 |
C | LYS116 |
C | VAL117 |
C | ILE118 |
C | ASP137 |
C | GLN142 |
C | ARG145 |
C | PHE165 |
site_id | BC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 C 1586 |
Chain | Residue |
C | GLY219 |
C | ARG470 |
C | ASN504 |
site_id | BC5 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE SO4 C 1587 |
Chain | Residue |
C | ARG164 |
C | HIS167 |
C | HIS206 |
C | ASP207 |
C | HIS210 |
C | HIS215 |
C | ASP311 |
C | FE1584 |
site_id | BC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE FE D 1584 |
Chain | Residue |
D | HIS167 |
D | HIS206 |
D | ASP207 |
D | ASP311 |
D | SO41588 |
site_id | BC7 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE GTP D 1585 |
Chain | Residue |
B | LYS116 |
B | VAL117 |
B | ILE118 |
B | ASP137 |
B | GLN142 |
B | ARG145 |
B | PHE165 |
D | TYR155 |
D | VAL156 |
D | VAL378 |
D | ARG451 |
D | LYS455 |
site_id | BC8 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GTP D 1586 |
Chain | Residue |
B | TYR155 |
B | VAL156 |
B | ARG451 |
D | LYS116 |
D | VAL117 |
D | ILE118 |
D | ASP137 |
D | GLN142 |
D | ARG145 |
site_id | BC9 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 D 1587 |
Chain | Residue |
D | GLY219 |
D | ARG470 |
D | ASN504 |
site_id | CC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 D 1588 |
Chain | Residue |
D | ARG164 |
D | HIS206 |
D | ASP207 |
D | HIS210 |
D | ASP311 |
D | FE1584 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | ACT_SITE: ACT_SITE => ECO:0000305|PubMed:22056990 |
Chain | Residue | Details |
A | HIS233 | |
B | HIS233 | |
C | HIS233 | |
D | HIS233 |
site_id | SWS_FT_FI2 |
Number of Residues | 24 |
Details | BINDING: in other chain => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200 |
Chain | Residue | Details |
A | LYS116 | |
B | ARG352 | |
B | ASN358 | |
B | LYS523 | |
C | LYS116 | |
C | ASP137 | |
C | ARG333 | |
C | ARG352 | |
C | ASN358 | |
C | LYS523 | |
D | LYS116 | |
A | ASP137 | |
D | ASP137 | |
D | ARG333 | |
D | ARG352 | |
D | ASN358 | |
D | LYS523 | |
A | ARG333 | |
A | ARG352 | |
A | ASN358 | |
A | LYS523 | |
B | LYS116 | |
B | ASP137 | |
B | ARG333 |
site_id | SWS_FT_FI3 |
Number of Residues | 20 |
Details | BINDING: BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200 |
Chain | Residue | Details |
A | ASN119 | |
B | LYS455 | |
C | ASN119 | |
C | HIS376 | |
C | LYS377 | |
C | ARG451 | |
C | LYS455 | |
D | ASN119 | |
D | HIS376 | |
D | LYS377 | |
D | ARG451 | |
A | HIS376 | |
D | LYS455 | |
A | LYS377 | |
A | ARG451 | |
A | LYS455 | |
B | ASN119 | |
B | HIS376 | |
B | LYS377 | |
B | ARG451 |
site_id | SWS_FT_FI4 |
Number of Residues | 32 |
Details | BINDING: BINDING => ECO:0000269|PubMed:24141705 |
Chain | Residue | Details |
A | GLN149 | |
B | ARG164 | |
B | HIS210 | |
B | ASP309 | |
B | TYR315 | |
B | ASP319 | |
B | ARG366 | |
B | HIS370 | |
C | GLN149 | |
C | ARG164 | |
C | HIS210 | |
A | ARG164 | |
C | ASP309 | |
C | TYR315 | |
C | ASP319 | |
C | ARG366 | |
C | HIS370 | |
D | GLN149 | |
D | ARG164 | |
D | HIS210 | |
D | ASP309 | |
D | TYR315 | |
A | HIS210 | |
D | ASP319 | |
D | ARG366 | |
D | HIS370 | |
A | ASP309 | |
A | TYR315 | |
A | ASP319 | |
A | ARG366 | |
A | HIS370 | |
B | GLN149 |
site_id | SWS_FT_FI5 |
Number of Residues | 16 |
Details | BINDING: BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26431200 |
Chain | Residue | Details |
A | HIS167 | |
C | HIS206 | |
C | ASP207 | |
C | ASP311 | |
D | HIS167 | |
D | HIS206 | |
D | ASP207 | |
D | ASP311 | |
A | HIS206 | |
A | ASP207 | |
A | ASP311 | |
B | HIS167 | |
B | HIS206 | |
B | ASP207 | |
B | ASP311 | |
C | HIS167 |
site_id | SWS_FT_FI6 |
Number of Residues | 4 |
Details | MOD_RES: Phosphothreonine; by CDK1 => ECO:0000269|PubMed:23601106, ECO:0000269|PubMed:23602554, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200, ECO:0000269|PubMed:29610582, ECO:0000269|PubMed:29670289, ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | THR592 | |
B | THR592 | |
C | THR592 | |
D | THR592 |
site_id | SWS_FT_FI7 |
Number of Residues | 20 |
Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
Chain | Residue | Details |
A | LYS467 | |
B | LYS622 | |
C | LYS467 | |
C | LYS469 | |
C | LYS492 | |
C | LYS622 | |
D | LYS467 | |
D | LYS469 | |
D | LYS492 | |
D | LYS622 | |
A | LYS469 | |
A | LYS492 | |
A | LYS622 | |
B | LYS467 | |
B | LYS469 | |
B | LYS492 |