4RXQ
The structure of GTP-dUTP-bound SAMHD1
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE GTP A 801 |
| Chain | Residue |
| A | TYR155 |
| A | HOH1023 |
| A | HOH1053 |
| A | HOH1162 |
| A | HOH1164 |
| B | LYS116 |
| B | VAL117 |
| B | ILE118 |
| B | ASP137 |
| B | GLN142 |
| B | ARG145 |
| A | VAL156 |
| B | PHE165 |
| B | MG701 |
| A | VAL378 |
| A | ARG451 |
| A | LYS455 |
| A | LYS523 |
| A | DUT803 |
| A | HOH945 |
| A | HOH1007 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE DUT A 802 |
| Chain | Residue |
| A | GLN149 |
| A | LEU150 |
| A | ARG164 |
| A | HIS215 |
| A | ASP309 |
| A | ASP311 |
| A | LYS312 |
| A | TYR315 |
| A | ASP319 |
| A | ARG366 |
| A | HIS370 |
| A | TYR374 |
| A | GLN375 |
| A | HOH977 |
| A | HOH1018 |
| A | HOH1034 |
| A | HOH1122 |
| A | HOH1130 |
| site_id | AC3 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE DUT A 803 |
| Chain | Residue |
| A | VAL156 |
| A | PHE157 |
| A | ARG333 |
| A | PHE337 |
| A | ARG352 |
| A | LYS354 |
| A | ASN358 |
| A | ARG372 |
| A | HIS376 |
| A | LYS377 |
| A | VAL378 |
| A | LYS523 |
| A | GTP801 |
| A | HOH930 |
| A | HOH932 |
| A | HOH1058 |
| A | HOH1164 |
| B | VAL117 |
| B | ASN119 |
| B | HIS125 |
| B | MG701 |
| site_id | AC4 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE GTP A 804 |
| Chain | Residue |
| A | LYS116 |
| A | VAL117 |
| A | ILE118 |
| A | ASP137 |
| A | GLN142 |
| A | ARG145 |
| A | PHE165 |
| A | MG805 |
| A | HOH919 |
| A | HOH935 |
| A | HOH942 |
| A | HOH950 |
| A | HOH957 |
| A | HOH1049 |
| B | TYR155 |
| B | VAL156 |
| B | VAL378 |
| B | ARG451 |
| B | LYS455 |
| B | LYS523 |
| B | DUT703 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 805 |
| Chain | Residue |
| A | LYS116 |
| A | GTP804 |
| A | HOH935 |
| B | DUT703 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG B 701 |
| Chain | Residue |
| A | GTP801 |
| A | DUT803 |
| A | HOH1164 |
| B | LYS116 |
| site_id | AC7 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE DUT B 702 |
| Chain | Residue |
| B | HIS370 |
| B | TYR374 |
| B | GLN375 |
| B | HOH854 |
| B | HOH899 |
| B | HOH945 |
| B | GLN149 |
| B | LEU150 |
| B | ARG164 |
| B | HIS215 |
| B | ASP309 |
| B | ASP311 |
| B | LYS312 |
| B | TYR315 |
| B | ASP319 |
| B | ARG366 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE DUT B 703 |
| Chain | Residue |
| A | VAL117 |
| A | ASN119 |
| A | HIS125 |
| A | GTP804 |
| A | MG805 |
| A | HOH935 |
| B | VAL156 |
| B | PHE157 |
| B | ARG333 |
| B | PHE337 |
| B | ARG352 |
| B | LYS354 |
| B | ASN358 |
| B | ARG372 |
| B | HIS376 |
| B | LYS377 |
| B | VAL378 |
| B | LYS523 |
| B | HOH818 |
| B | HOH852 |
| B | HOH920 |
| B | HOH930 |
| B | HOH936 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: ACT_SITE => ECO:0000305|PubMed:22056990 |
| Chain | Residue | Details |
| A | HIS233 | |
| B | HIS233 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| 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 | |
| A | ASP137 | |
| A | ARG333 | |
| A | ARG352 | |
| A | ASN358 | |
| A | LYS523 | |
| B | LYS116 | |
| B | ASP137 | |
| B | ARG333 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 10 |
| 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 | |
| A | HIS376 | |
| A | LYS377 | |
| A | ARG451 | |
| A | LYS455 | |
| B | ASN119 | |
| B | HIS376 | |
| B | LYS377 | |
| B | ARG451 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 16 |
| 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 | |
| A | ARG164 | |
| A | HIS210 | |
| A | ASP309 | |
| A | TYR315 | |
| A | ASP319 | |
| A | ARG366 | |
| A | HIS370 | |
| B | GLN149 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 8 |
| 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 | |
| A | HIS206 | |
| A | ASP207 | |
| A | ASP311 | |
| B | HIS167 | |
| B | HIS206 | |
| B | ASP207 | |
| B | ASP311 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| 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 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 10 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| A | LYS467 | |
| B | LYS622 | |
| A | LYS469 | |
| A | LYS492 | |
| A | LYS622 | |
| B | LYS467 | |
| B | LYS469 | |
| B | LYS492 |
