4TNP
Structural basis of cellular dNTP regulation, SAMHD1-GTP-dCTP-cCTP complex
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 21 |
Details | binding site for residue DCP A 701 |
Chain | Residue |
A | GLN149 |
A | LYS312 |
A | TYR315 |
A | ASP319 |
A | ARG366 |
A | TYR374 |
A | GLN375 |
A | HOH815 |
A | HOH833 |
A | HOH840 |
A | HOH843 |
A | LEU150 |
A | HOH844 |
A | HOH879 |
A | ARG164 |
A | ARG206 |
A | ASN207 |
A | HIS210 |
A | HIS215 |
A | HIS233 |
A | ASP311 |
site_id | AC2 |
Number of Residues | 16 |
Details | binding site for residue DCP A 702 |
Chain | Residue |
A | VAL156 |
A | PHE157 |
A | ARG372 |
A | HIS376 |
A | LYS377 |
A | GTP703 |
A | HOH832 |
C | ARG333 |
C | PHE337 |
C | ARG352 |
C | LYS354 |
C | ASN358 |
C | LYS523 |
D | VAL117 |
D | ASN119 |
D | MG701 |
site_id | AC3 |
Number of Residues | 21 |
Details | binding site for residue GTP A 703 |
Chain | Residue |
A | TYR155 |
A | VAL156 |
A | VAL378 |
A | ARG451 |
A | LYS455 |
A | DCP702 |
A | HOH822 |
A | HOH829 |
A | HOH832 |
A | HOH841 |
A | HOH842 |
A | HOH858 |
C | LYS523 |
D | LYS116 |
D | VAL117 |
D | ILE118 |
D | ASP137 |
D | GLN142 |
D | ARG145 |
D | PHE165 |
D | MG701 |
site_id | AC4 |
Number of Residues | 16 |
Details | binding site for residue DCP A 704 |
Chain | Residue |
A | ARG333 |
A | ARG352 |
A | LYS354 |
A | ASN358 |
A | LYS523 |
A | HOH820 |
A | HOH877 |
B | VAL117 |
B | ASN119 |
B | MG704 |
B | GTP705 |
C | VAL156 |
C | PHE157 |
C | ARG372 |
C | HIS376 |
C | LYS377 |
site_id | AC5 |
Number of Residues | 4 |
Details | binding site for residue MG A 705 |
Chain | Residue |
A | LYS116 |
D | DCP703 |
D | GTP704 |
D | HOH835 |
site_id | AC6 |
Number of Residues | 22 |
Details | binding site for residue DCP B 701 |
Chain | Residue |
B | HOH893 |
B | GLN149 |
B | LEU150 |
B | ARG164 |
B | ARG206 |
B | HIS210 |
B | HIS215 |
B | HIS233 |
B | ASP311 |
B | LYS312 |
B | TYR315 |
B | ASP319 |
B | ARG366 |
B | HIS370 |
B | TYR374 |
B | GLN375 |
B | HOH820 |
B | HOH825 |
B | HOH842 |
B | HOH846 |
B | HOH864 |
B | HOH865 |
site_id | AC7 |
Number of Residues | 18 |
Details | binding site for residue DCP B 702 |
Chain | Residue |
B | VAL156 |
B | PHE157 |
B | ARG372 |
B | HIS376 |
B | LYS377 |
B | GTP703 |
B | HOH828 |
B | HOH854 |
B | HOH866 |
B | HOH867 |
C | VAL117 |
C | ASN119 |
C | MG701 |
D | ARG333 |
D | ARG352 |
D | LYS354 |
D | ASN358 |
D | LYS523 |
site_id | AC8 |
Number of Residues | 19 |
Details | binding site for residue GTP B 703 |
Chain | Residue |
B | TYR155 |
B | VAL156 |
B | VAL378 |
B | ARG451 |
B | LYS455 |
B | DCP702 |
B | HOH828 |
B | HOH834 |
B | HOH859 |
B | HOH863 |
C | LYS116 |
C | VAL117 |
C | ILE118 |
C | ASP137 |
C | GLN142 |
C | ARG145 |
C | PHE165 |
C | MG701 |
D | LYS523 |
site_id | AC9 |
Number of Residues | 4 |
Details | binding site for residue MG B 704 |
Chain | Residue |
A | DCP704 |
A | HOH820 |
B | LYS116 |
B | GTP705 |
site_id | AD1 |
Number of Residues | 18 |
Details | binding site for residue GTP B 705 |
Chain | Residue |
A | LYS523 |
A | DCP704 |
A | HOH820 |
B | LYS116 |
B | VAL117 |
B | ILE118 |
B | ASP137 |
B | GLN142 |
B | ARG145 |
B | PHE165 |
B | MG704 |
B | HOH832 |
C | TYR155 |
C | VAL156 |
C | VAL378 |
C | ARG451 |
C | LYS455 |
C | HOH859 |
site_id | AD2 |
Number of Residues | 3 |
Details | binding site for residue MG C 701 |
Chain | Residue |
B | DCP702 |
B | GTP703 |
B | HOH828 |
site_id | AD3 |
Number of Residues | 22 |
Details | binding site for residue DCP C 702 |
Chain | Residue |
C | GLN149 |
C | LEU150 |
C | ARG164 |
C | ARG206 |
C | HIS210 |
C | HIS215 |
C | HIS233 |
C | ASP311 |
C | LYS312 |
C | TYR315 |
C | ASP319 |
C | ARG366 |
C | TYR374 |
C | GLN375 |
C | HOH811 |
C | HOH813 |
C | HOH820 |
C | HOH826 |
C | HOH846 |
C | HOH847 |
C | HOH848 |
C | HOH850 |
site_id | AD4 |
Number of Residues | 4 |
Details | binding site for residue MG D 701 |
Chain | Residue |
A | DCP702 |
A | GTP703 |
A | HOH832 |
D | LYS116 |
site_id | AD5 |
Number of Residues | 20 |
Details | binding site for residue DCP D 702 |
Chain | Residue |
D | GLN149 |
D | LEU150 |
D | ARG164 |
D | ARG206 |
D | HIS210 |
D | HIS215 |
D | HIS233 |
D | ASP311 |
D | LYS312 |
D | TYR315 |
D | ASP319 |
D | ARG366 |
D | TYR374 |
D | GLN375 |
D | HOH808 |
D | HOH828 |
D | HOH829 |
D | HOH830 |
D | HOH831 |
D | HOH832 |
site_id | AD6 |
Number of Residues | 17 |
Details | binding site for residue DCP D 703 |
Chain | Residue |
A | VAL117 |
A | ASN119 |
A | MG705 |
B | ARG333 |
B | PHE337 |
B | ARG352 |
B | LYS354 |
B | LYS523 |
D | VAL156 |
D | PHE157 |
D | ARG372 |
D | HIS376 |
D | LYS377 |
D | GTP704 |
D | HOH835 |
D | HOH836 |
D | HOH841 |
site_id | AD7 |
Number of Residues | 18 |
Details | binding site for residue GTP D 704 |
Chain | Residue |
A | LYS116 |
A | VAL117 |
A | ILE118 |
A | ASP137 |
A | GLN142 |
A | ARG145 |
A | PHE165 |
A | MG705 |
B | LYS523 |
D | TYR155 |
D | VAL156 |
D | VAL378 |
D | ARG451 |
D | LYS455 |
D | DCP703 |
D | HOH820 |
D | HOH835 |
D | HOH837 |
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 |