4QG4
Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (H210A) mutant catalytic core
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 17 |
Details | BINDING SITE FOR RESIDUE GTP A 701 |
Chain | Residue |
A | TYR155 |
D | VAL117 |
D | ILE118 |
D | ASP137 |
D | GLN142 |
D | ARG145 |
D | PHE165 |
D | MG702 |
D | HOH816 |
A | VAL156 |
A | VAL378 |
A | ARG451 |
A | LYS455 |
A | HOH857 |
C | LYS523 |
C | DTP701 |
D | LYS116 |
site_id | AC2 |
Number of Residues | 17 |
Details | BINDING SITE FOR RESIDUE DTP A 702 |
Chain | Residue |
A | ARG333 |
A | PHE337 |
A | ARG352 |
A | LYS354 |
A | ASN358 |
A | LYS523 |
A | HOH830 |
B | VAL117 |
B | ASN119 |
B | GTP702 |
B | MG704 |
C | VAL156 |
C | PHE157 |
C | ARG372 |
C | HIS376 |
C | LYS377 |
C | VAL378 |
site_id | AC3 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE GTP A 703 |
Chain | Residue |
A | LYS116 |
A | VAL117 |
A | ILE118 |
A | ASP137 |
A | GLN142 |
A | ARG145 |
A | PHE165 |
A | MG704 |
A | HOH804 |
A | HOH832 |
A | HOH873 |
B | LYS523 |
B | DTP703 |
B | HOH906 |
D | TYR155 |
D | VAL156 |
D | VAL378 |
D | ARG451 |
D | LYS455 |
D | HOH875 |
site_id | AC4 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE MG A 704 |
Chain | Residue |
A | GTP703 |
B | DTP703 |
site_id | AC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE ZN A 705 |
Chain | Residue |
A | HIS167 |
A | HIS206 |
A | ASP207 |
A | ASP311 |
A | HOH898 |
site_id | AC6 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE GTP B 701 |
Chain | Residue |
B | TYR155 |
B | VAL156 |
B | VAL378 |
B | ARG451 |
B | LYS455 |
B | HOH824 |
B | HOH922 |
B | HOH933 |
B | HOH963 |
C | LYS116 |
C | VAL117 |
C | ILE118 |
C | ILE136 |
C | ASP137 |
C | GLN142 |
C | ARG145 |
C | PHE165 |
C | MG702 |
C | HOH822 |
D | LYS523 |
D | DTP701 |
site_id | AC7 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE GTP B 702 |
Chain | Residue |
C | VAL378 |
C | ARG451 |
C | LYS455 |
A | LYS523 |
A | DTP702 |
B | LYS116 |
B | VAL117 |
B | ILE118 |
B | ASP137 |
B | GLN142 |
B | ARG145 |
B | PHE165 |
B | MG704 |
B | HOH826 |
B | HOH873 |
B | HOH938 |
B | HOH943 |
B | HOH944 |
C | TYR155 |
C | VAL156 |
site_id | AC8 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE DTP B 703 |
Chain | Residue |
A | VAL117 |
A | ASN119 |
A | GTP703 |
A | MG704 |
B | ARG333 |
B | PHE337 |
B | ARG352 |
B | LYS354 |
B | ASN358 |
B | LYS523 |
B | HOH829 |
B | HOH840 |
B | HOH855 |
B | HOH868 |
B | HOH879 |
D | VAL156 |
D | PHE157 |
D | ARG372 |
D | HIS376 |
D | LYS377 |
site_id | AC9 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG B 704 |
Chain | Residue |
A | DTP702 |
B | LYS116 |
B | GTP702 |
site_id | BC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN B 705 |
Chain | Residue |
B | HIS167 |
B | HIS206 |
B | ASP207 |
B | ASP311 |
site_id | BC2 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE DTP C 701 |
Chain | Residue |
A | VAL156 |
A | PHE157 |
A | ILE325 |
A | ARG372 |
A | HIS376 |
A | LYS377 |
A | VAL378 |
A | GTP701 |
C | ARG333 |
C | PHE337 |
C | ARG352 |
C | LYS354 |
C | ASN358 |
C | LYS523 |
C | HOH813 |
C | HOH825 |
C | HOH904 |
D | VAL117 |
D | ASN119 |
D | MG702 |
site_id | BC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG C 702 |
Chain | Residue |
B | GTP701 |
B | HOH922 |
C | LYS116 |
C | HOH822 |
D | DTP701 |
site_id | BC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE ZN C 703 |
Chain | Residue |
C | HIS167 |
C | HIS206 |
C | ASP207 |
C | ASP311 |
C | HOH884 |
site_id | BC5 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE DTP D 701 |
Chain | Residue |
B | VAL156 |
B | PHE157 |
B | ARG372 |
B | HIS376 |
B | LYS377 |
B | VAL378 |
B | GTP701 |
B | HOH922 |
B | HOH929 |
C | VAL117 |
C | ILE118 |
C | ASN119 |
C | MG702 |
D | ARG333 |
D | PHE337 |
D | ARG352 |
D | LYS354 |
D | ASN358 |
D | LYS523 |
D | HOH827 |
D | HOH852 |
D | HOH892 |
site_id | BC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG D 702 |
Chain | Residue |
A | GTP701 |
C | DTP701 |
D | LYS116 |
D | HOH816 |
site_id | BC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN D 703 |
Chain | Residue |
D | HIS167 |
D | HIS206 |
D | ASP207 |
D | ASP311 |
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 | ALA210 | |
B | ASP309 | |
B | TYR315 | |
B | ASP319 | |
B | ARG366 | |
B | HIS370 | |
C | GLN149 | |
C | ARG164 | |
C | ALA210 | |
A | ARG164 | |
C | ASP309 | |
C | TYR315 | |
C | ASP319 | |
C | ARG366 | |
C | HIS370 | |
D | GLN149 | |
D | ARG164 | |
D | ALA210 | |
D | ASP309 | |
D | TYR315 | |
A | ALA210 | |
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 |