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 | ARG333 | |
A | ARG352 | |
A | ASN358 | |
A | LYS523 | |
B | LYS116 | |
B | ASP137 | |
B | ARG333 | |
B | ARG352 | |
B | ASN358 | |
B | LYS523 | |
A | LYS116 | |
A | ASP137 |
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 | LYS377 | |
A | ARG451 | |
A | LYS455 | |
B | ASN119 | |
B | HIS376 | |
B | LYS377 | |
B | ARG451 | |
B | LYS455 | |
A | ASN119 | |
A | HIS376 |
site_id | SWS_FT_FI4 |
Number of Residues | 16 |
Details | BINDING: BINDING => ECO:0000269|PubMed:24141705 |
Chain | Residue | Details |
A | TYR315 | |
A | ASP319 | |
A | ARG366 | |
A | HIS370 | |
B | GLN149 | |
B | ARG164 | |
B | HIS210 | |
B | ASP309 | |
B | TYR315 | |
B | ASP319 | |
B | ARG366 | |
B | HIS370 | |
A | GLN149 | |
A | ARG164 | |
A | HIS210 | |
A | ASP309 |
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 |
B | HIS167 | |
B | HIS206 | |
B | ASP207 | |
B | ASP311 | |
A | HIS167 | |
A | HIS206 | |
A | ASP207 | |
A | 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 | LYS469 | |
A | LYS492 | |
A | LYS622 | |
B | LYS467 | |
B | LYS469 | |
B | LYS492 | |
B | LYS622 | |
A | LYS467 |