5AO1
Crystal structure of human SAMHD1 (amino acid residues 115-583) bound to ddGTP
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 | DG31585 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE DG3 A 1585 |
| Chain | Residue |
| A | HIS210 |
| A | HIS215 |
| A | GLY219 |
| A | HIS233 |
| A | GLU234 |
| A | ASP311 |
| A | LYS312 |
| A | TYR315 |
| A | HIS370 |
| A | FE1584 |
| A | HOH2051 |
| A | HOH2052 |
| A | ARG164 |
| A | HIS167 |
| A | HIS206 |
| A | ASP207 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE DG3 B 1584 |
| Chain | Residue |
| A | LYS116 |
| A | ILE118 |
| A | ASP137 |
| A | GLN142 |
| A | ARG145 |
| A | PHE165 |
| B | TYR155 |
| B | VAL156 |
| B | VAL378 |
| B | ARG451 |
| B | MG1585 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1586 |
| Chain | Residue |
| A | ILE325 |
| A | GLN326 |
| A | ARG372 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG B 1585 |
| Chain | Residue |
| B | DG31584 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE B 1586 |
| Chain | Residue |
| B | HIS167 |
| B | HIS206 |
| B | ASP207 |
| B | ASP311 |
| B | DG31587 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE DG3 B 1587 |
| Chain | Residue |
| B | ARG164 |
| B | HIS167 |
| B | HIS206 |
| B | ASP207 |
| B | HIS210 |
| B | HIS215 |
| B | GLY219 |
| B | HIS233 |
| B | GLU234 |
| B | ASP311 |
| B | LYS312 |
| B | TYR315 |
| B | HIS370 |
| B | TYR374 |
| B | FE1586 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE DG3 B 1588 |
| Chain | Residue |
| A | TYR155 |
| A | VAL156 |
| A | ARG451 |
| B | LYS116 |
| B | VAL117 |
| B | ILE118 |
| B | ASP137 |
| B | GLN142 |
| B | ARG145 |
| B | PHE165 |
| B | MG1590 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1589 |
| Chain | Residue |
| B | ARG442 |
| B | GLU443 |
| B | LYS446 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG B 1590 |
| Chain | Residue |
| A | LEU453 |
| A | HOH2046 |
| B | DG31588 |
| 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 | DG31585 |
| site_id | BC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE DG3 C 1585 |
| Chain | Residue |
| C | ARG164 |
| C | HIS167 |
| C | HIS206 |
| C | ASP207 |
| C | HIS210 |
| C | HIS215 |
| C | GLY219 |
| C | HIS233 |
| C | GLU234 |
| C | ASP311 |
| C | LYS312 |
| C | TYR315 |
| C | HIS370 |
| C | TYR374 |
| C | FE1584 |
| site_id | BC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE DG3 D 1583 |
| Chain | Residue |
| C | PHE165 |
| C | HOH2006 |
| D | TYR155 |
| D | VAL156 |
| D | VAL378 |
| D | ARG451 |
| D | LEU453 |
| D | MG1584 |
| C | LYS116 |
| C | VAL117 |
| C | ILE118 |
| C | ASP137 |
| C | GLN142 |
| C | ARG145 |
| site_id | BC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG D 1584 |
| Chain | Residue |
| D | DG31583 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE D 1585 |
| Chain | Residue |
| D | HIS167 |
| D | HIS206 |
| D | ASP207 |
| D | ASP311 |
| D | DG31586 |
| site_id | BC7 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE DG3 D 1586 |
| Chain | Residue |
| D | ARG164 |
| D | HIS167 |
| D | HIS206 |
| D | ASP207 |
| D | HIS210 |
| D | HIS215 |
| D | GLY219 |
| D | HIS233 |
| D | GLU234 |
| D | ASP311 |
| D | LYS312 |
| D | TYR315 |
| D | HIS370 |
| D | ASN380 |
| D | FE1585 |
| D | HOH2041 |
| D | HOH2042 |
| site_id | BC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE DG3 D 1587 |
| Chain | Residue |
| C | TYR155 |
| C | VAL156 |
| C | ARG451 |
| C | LEU453 |
| D | LYS116 |
| D | VAL117 |
| D | ILE118 |
| D | ASP137 |
| D | GLN142 |
| D | ARG145 |
| D | PHE165 |
| D | MG1590 |
| site_id | BC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1588 |
| Chain | Residue |
| D | LYS439 |
| D | ARG442 |
| D | GLU443 |
| site_id | CC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1589 |
| Chain | Residue |
| D | LYS469 |
| D | ARG470 |
| site_id | CC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG D 1590 |
| Chain | Residue |
| D | DG31587 |
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 | 16 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| A | LYS467 | |
| C | LYS469 | |
| C | LYS492 | |
| D | LYS467 | |
| D | LYS469 | |
| D | LYS492 | |
| A | LYS469 | |
| A | LYS492 | |
| B | LYS467 | |
| B | LYS469 | |
| B | LYS492 | |
| C | LYS467 |
