6TX0
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 6 |
Details | binding site for residue FE A 701 |
Chain | Residue |
A | HIS167 |
A | HIS206 |
A | ASP207 |
A | ASP311 |
A | DZ4705 |
A | HOH808 |
site_id | AC2 |
Number of Residues | 6 |
Details | binding site for residue MG A 702 |
Chain | Residue |
A | HOH808 |
A | HOH817 |
A | HOH836 |
A | ASP207 |
A | HIS233 |
A | DZ4705 |
site_id | AC3 |
Number of Residues | 5 |
Details | binding site for residue MG A 703 |
Chain | Residue |
A | DZ4705 |
A | HOH802 |
A | HOH811 |
A | HOH812 |
A | HOH827 |
site_id | AC4 |
Number of Residues | 3 |
Details | binding site for residue MG A 704 |
Chain | Residue |
A | CZF706 |
B | DZ4701 |
B | HOH823 |
site_id | AC5 |
Number of Residues | 29 |
Details | binding site for residue DZ4 A 705 |
Chain | Residue |
A | GLN149 |
A | LEU150 |
A | ARG164 |
A | HIS167 |
A | ASP207 |
A | HIS210 |
A | HIS215 |
A | HIS233 |
A | ASP311 |
A | LYS312 |
A | TYR315 |
A | ASP319 |
A | ARG366 |
A | TYR374 |
A | GLN375 |
A | FE701 |
A | MG702 |
A | MG703 |
A | HOH802 |
A | HOH808 |
A | HOH811 |
A | HOH812 |
A | HOH814 |
A | HOH821 |
A | HOH823 |
A | HOH826 |
A | HOH827 |
A | HOH835 |
A | HOH836 |
site_id | AC6 |
Number of Residues | 18 |
Details | binding site for residue CZF A 706 |
Chain | Residue |
A | LYS116 |
A | VAL117 |
A | ILE118 |
A | ASN137 |
A | GLN142 |
A | ARG145 |
A | PHE165 |
A | LYS523 |
A | MG704 |
A | HOH803 |
A | HOH838 |
B | TYR155 |
B | VAL156 |
B | VAL378 |
B | ARG451 |
B | LYS455 |
B | DZ4701 |
B | HOH823 |
site_id | AC7 |
Number of Residues | 17 |
Details | binding site for residue DZ4 A 707 |
Chain | Residue |
A | VAL156 |
A | PHE157 |
A | ARG372 |
A | HIS376 |
A | LYS377 |
A | HOH815 |
A | HOH845 |
B | VAL117 |
B | ASN119 |
B | HIS125 |
B | ARG333 |
B | ARG352 |
B | LYS354 |
B | ASN358 |
B | LYS523 |
B | MG705 |
B | CZF707 |
site_id | AC8 |
Number of Residues | 19 |
Details | binding site for residue DZ4 B 701 |
Chain | Residue |
B | HOH804 |
B | HOH810 |
B | HOH815 |
B | HOH823 |
A | VAL117 |
A | ASN119 |
A | ARG333 |
A | ARG352 |
A | LYS354 |
A | ASN358 |
A | LYS523 |
A | MG704 |
A | CZF706 |
B | VAL156 |
B | PHE157 |
B | ARG372 |
B | HIS376 |
B | LYS377 |
B | HOH802 |
site_id | AC9 |
Number of Residues | 6 |
Details | binding site for residue FE B 702 |
Chain | Residue |
B | HIS167 |
B | HIS206 |
B | ASP207 |
B | ASP311 |
B | DZ4706 |
B | HOH812 |
site_id | AD1 |
Number of Residues | 6 |
Details | binding site for residue MG B 703 |
Chain | Residue |
B | ASP207 |
B | HIS233 |
B | DZ4706 |
B | HOH812 |
B | HOH818 |
B | HOH822 |
site_id | AD2 |
Number of Residues | 5 |
Details | binding site for residue MG B 704 |
Chain | Residue |
B | DZ4706 |
B | HOH820 |
B | HOH829 |
B | HOH844 |
B | HOH847 |
site_id | AD3 |
Number of Residues | 3 |
Details | binding site for residue MG B 705 |
Chain | Residue |
A | DZ4707 |
A | HOH845 |
B | CZF707 |
site_id | AD4 |
Number of Residues | 26 |
Details | binding site for residue DZ4 B 706 |
Chain | Residue |
B | GLN149 |
B | LEU150 |
B | ARG164 |
B | HIS167 |
B | ASP207 |
B | HIS210 |
B | HIS215 |
B | HIS233 |
B | ASP311 |
B | LYS312 |
B | TYR315 |
B | ASP319 |
B | ARG366 |
B | TYR374 |
B | GLN375 |
B | FE702 |
B | MG703 |
B | MG704 |
B | HOH812 |
B | HOH820 |
B | HOH822 |
B | HOH829 |
B | HOH844 |
B | HOH847 |
B | HOH853 |
B | HOH858 |
site_id | AD5 |
Number of Residues | 17 |
Details | binding site for residue CZF B 707 |
Chain | Residue |
A | TYR155 |
A | VAL156 |
A | VAL378 |
A | ARG451 |
A | LYS455 |
A | DZ4707 |
A | HOH845 |
B | LYS116 |
B | VAL117 |
B | ILE118 |
B | ASN137 |
B | GLN142 |
B | ARG145 |
B | PHE165 |
B | LYS523 |
B | MG705 |
B | HOH834 |
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 | ASN137 | |
A | ARG333 | |
A | ARG352 | |
A | ASN358 | |
A | LYS523 | |
B | LYS116 | |
B | ASN137 | |
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 |