4QFX
Crystal structure of the tetrameric dGTP/dATP-bound SAMHD1 (RN206) mutant catalytic core
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE DGT A 701 |
Chain | Residue |
A | TYR155 |
D | ILE118 |
D | ASP137 |
D | GLN142 |
D | ARG145 |
D | PHE165 |
D | HOH855 |
A | VAL156 |
A | ARG451 |
A | LYS455 |
A | HOH877 |
C | LYS523 |
C | DTP701 |
C | MG704 |
D | LYS116 |
site_id | AC2 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE DGT A 702 |
Chain | Residue |
A | GLN149 |
A | LEU150 |
A | ARG164 |
A | ARG206 |
A | HIS210 |
A | HIS215 |
A | HIS233 |
A | LYS312 |
A | TYR315 |
A | ASP319 |
A | ARG366 |
A | TYR374 |
A | GLN375 |
A | MG707 |
A | HOH805 |
A | HOH838 |
A | HOH847 |
A | HOH858 |
A | HOH869 |
A | HOH870 |
A | HOH873 |
site_id | AC3 |
Number of Residues | 16 |
Details | BINDING SITE FOR RESIDUE DTP A 703 |
Chain | Residue |
A | ARG333 |
A | ARG352 |
A | LYS354 |
A | ASN358 |
A | LYS523 |
A | MG705 |
A | HOH829 |
B | VAL117 |
B | ILE118 |
B | ASN119 |
C | VAL156 |
C | PHE157 |
C | ARG372 |
C | HIS376 |
C | VAL378 |
C | DGT702 |
site_id | AC4 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE DGT A 704 |
Chain | Residue |
A | LYS116 |
A | VAL117 |
A | ILE118 |
A | ASP137 |
A | GLN142 |
A | ARG145 |
A | PHE165 |
A | MG706 |
A | HOH813 |
A | HOH862 |
A | HOH865 |
B | LYS523 |
B | DTP703 |
D | TYR155 |
D | VAL156 |
D | VAL378 |
D | ARG451 |
D | LYS455 |
D | HOH859 |
D | HOH877 |
site_id | AC5 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE MG A 705 |
Chain | Residue |
A | DTP703 |
C | DGT702 |
site_id | AC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG A 706 |
Chain | Residue |
A | LYS116 |
A | DGT704 |
B | DTP703 |
site_id | AC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG A 707 |
Chain | Residue |
A | ARG206 |
A | ASP309 |
A | ASP311 |
A | DGT702 |
A | HOH869 |
A | HOH873 |
site_id | AC8 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE DGT B 701 |
Chain | Residue |
C | MG705 |
D | LYS523 |
D | DTP701 |
B | TYR155 |
B | VAL156 |
B | VAL378 |
B | ARG451 |
B | LYS455 |
B | HOH822 |
B | HOH825 |
B | HOH842 |
B | HOH844 |
B | HOH884 |
C | LYS116 |
C | VAL117 |
C | ASP137 |
C | GLN142 |
C | ARG145 |
C | PHE165 |
site_id | AC9 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE DGT B 702 |
Chain | Residue |
B | GLN149 |
B | LEU150 |
B | ARG164 |
B | ARG206 |
B | HIS210 |
B | HIS215 |
B | HIS233 |
B | LYS312 |
B | TYR315 |
B | ASP319 |
B | ARG366 |
B | TYR374 |
B | GLN375 |
B | MG704 |
B | HOH808 |
B | HOH818 |
B | HOH820 |
B | HOH829 |
B | HOH845 |
B | HOH862 |
B | HOH905 |
B | HOH906 |
site_id | BC1 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE DTP B 703 |
Chain | Residue |
A | VAL117 |
A | ILE118 |
A | ASN119 |
A | DGT704 |
A | MG706 |
B | ARG333 |
B | PHE337 |
B | ARG352 |
B | LYS354 |
B | ASN358 |
B | LYS523 |
B | HOH815 |
B | HOH824 |
B | HOH885 |
B | HOH887 |
D | VAL156 |
D | PHE157 |
D | ARG372 |
D | HIS376 |
D | LYS377 |
site_id | BC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG B 704 |
Chain | Residue |
B | DGT702 |
B | HOH878 |
B | HOH905 |
site_id | BC3 |
Number of Residues | 18 |
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 | DGT701 |
C | ARG333 |
C | PHE337 |
C | ARG352 |
C | LYS354 |
C | ASN358 |
C | LYS523 |
C | MG704 |
C | HOH803 |
D | VAL117 |
D | ASN119 |
site_id | BC4 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE DGT C 702 |
Chain | Residue |
A | LYS523 |
A | DTP703 |
A | MG705 |
B | LYS116 |
B | VAL117 |
B | ASP137 |
B | GLN142 |
B | ARG145 |
B | PHE165 |
C | TYR155 |
C | VAL156 |
C | VAL378 |
C | ARG451 |
C | LYS455 |
C | HOH810 |
C | HOH812 |
C | HOH832 |
C | HOH835 |
C | HOH862 |
site_id | BC5 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE DGT C 703 |
Chain | Residue |
C | GLN149 |
C | LEU150 |
C | ARG164 |
C | ARG206 |
C | HIS210 |
C | HIS215 |
C | HIS233 |
C | LYS312 |
C | TYR315 |
C | ASP319 |
C | ARG366 |
C | TYR374 |
C | GLN375 |
C | MG706 |
C | HOH809 |
C | HOH819 |
C | HOH855 |
C | HOH857 |
C | HOH860 |
C | HOH866 |
site_id | BC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG C 704 |
Chain | Residue |
A | DGT701 |
C | DTP701 |
D | LYS116 |
site_id | BC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG C 705 |
Chain | Residue |
B | DGT701 |
B | HOH842 |
C | LYS116 |
D | DTP701 |
site_id | BC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG C 706 |
Chain | Residue |
C | LYS312 |
C | DGT703 |
C | HOH857 |
C | HOH860 |
site_id | BC9 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE DTP D 701 |
Chain | Residue |
B | VAL156 |
B | PHE157 |
B | ILE325 |
B | ARG372 |
B | HIS376 |
B | LYS377 |
B | DGT701 |
B | HOH884 |
C | VAL117 |
C | ASN119 |
C | MG705 |
D | ARG333 |
D | PHE337 |
D | ARG352 |
D | LYS354 |
D | ASN358 |
D | LYS523 |
D | HOH817 |
D | HOH843 |
D | HOH844 |
site_id | CC1 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE DGT D 702 |
Chain | Residue |
D | GLN149 |
D | LEU150 |
D | ARG164 |
D | ARG206 |
D | HIS210 |
D | HIS215 |
D | HIS233 |
D | LYS312 |
D | TYR315 |
D | ASP319 |
D | ARG366 |
D | HIS370 |
D | TYR374 |
D | GLN375 |
D | MG703 |
D | HOH803 |
D | HOH832 |
D | HOH838 |
D | HOH884 |
site_id | CC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG D 703 |
Chain | Residue |
D | LYS312 |
D | DGT702 |
D | HOH890 |
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 | ARG206 | |
C | ASN207 | |
C | ASP311 | |
D | HIS167 | |
D | ARG206 | |
D | ASN207 | |
D | ASP311 | |
A | ARG206 | |
A | ASN207 | |
A | ASP311 | |
B | HIS167 | |
B | ARG206 | |
B | ASN207 | |
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 |