6TXF
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mn
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 | HOH814 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue MN A 702 |
| Chain | Residue |
| A | HOH814 |
| A | HOH821 |
| A | HOH822 |
| A | ASP207 |
| A | HIS233 |
| A | DZ4705 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue MN A 703 |
| Chain | Residue |
| A | DZ4705 |
| A | HOH809 |
| A | HOH826 |
| A | HOH827 |
| A | HOH833 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue MN A 704 |
| Chain | Residue |
| A | LYS523 |
| A | CZF706 |
| A | HOH848 |
| B | DZ4701 |
| site_id | AC5 |
| Number of Residues | 25 |
| 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 | FE701 |
| A | MN702 |
| A | MN703 |
| A | HOH805 |
| A | HOH814 |
| A | HOH822 |
| A | HOH826 |
| A | HOH827 |
| A | HOH833 |
| A | HOH842 |
| A | HOH844 |
| 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 | MN704 |
| A | HOH802 |
| A | HOH828 |
| A | HOH848 |
| B | TYR155 |
| B | VAL156 |
| B | VAL378 |
| B | ARG451 |
| B | LYS455 |
| B | DZ4701 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | binding site for residue DZ4 A 707 |
| Chain | Residue |
| A | VAL156 |
| A | PHE157 |
| A | ARG372 |
| A | HIS376 |
| A | LYS377 |
| A | HOH847 |
| B | VAL117 |
| B | ASN119 |
| B | ARG333 |
| B | ARG352 |
| B | LYS354 |
| B | ASN358 |
| B | LYS523 |
| B | MN705 |
| B | CZF707 |
| site_id | AC8 |
| Number of Residues | 17 |
| Details | binding site for residue DZ4 B 701 |
| Chain | Residue |
| A | VAL117 |
| A | ASN119 |
| A | ARG333 |
| A | ARG352 |
| A | LYS354 |
| A | ASN358 |
| A | LYS523 |
| A | MN704 |
| A | CZF706 |
| A | HOH848 |
| B | VAL156 |
| B | PHE157 |
| B | ARG372 |
| B | HIS376 |
| B | LYS377 |
| B | HOH808 |
| B | HOH834 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue FE B 702 |
| Chain | Residue |
| B | ASP311 |
| B | MN703 |
| B | DZ4706 |
| B | HOH824 |
| B | HIS167 |
| B | HIS206 |
| B | ASP207 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue MN B 703 |
| Chain | Residue |
| B | ASP207 |
| B | HIS233 |
| B | FE702 |
| B | DZ4706 |
| B | HOH801 |
| B | HOH812 |
| B | HOH824 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue MN B 704 |
| Chain | Residue |
| B | DZ4706 |
| B | HOH802 |
| B | HOH810 |
| B | HOH822 |
| B | HOH829 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue MN B 705 |
| Chain | Residue |
| A | DZ4707 |
| A | HOH847 |
| B | CZF707 |
| site_id | AD4 |
| Number of Residues | 25 |
| 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 | ASN380 |
| B | FE702 |
| B | MN703 |
| B | MN704 |
| B | HOH801 |
| B | HOH807 |
| B | HOH814 |
| B | HOH822 |
| B | HOH824 |
| B | HOH829 |
| site_id | AD5 |
| Number of Residues | 16 |
| Details | binding site for residue CZF B 707 |
| Chain | Residue |
| A | TYR155 |
| A | VAL156 |
| A | VAL378 |
| A | ARG451 |
| A | LYS455 |
| A | DZ4707 |
| B | LYS116 |
| B | VAL117 |
| B | ILE118 |
| B | ASN137 |
| B | GLN142 |
| B | ARG145 |
| B | PHE165 |
| B | LYS523 |
| B | MN705 |
| B | HOH809 |
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 | 10 |
| Details | BINDING: in chain B => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNP, ECO:0007744|PDB:4TNQ, ECO:0007744|PDB:4TNR, ECO:0007744|PDB:4TNX |
| Chain | Residue | Details |
| A | LYS116 | |
| B | ARG145 | |
| A | VAL117 | |
| A | ASN137 | |
| A | GLN142 | |
| A | ARG145 | |
| B | LYS116 | |
| B | VAL117 | |
| B | ASN137 | |
| B | GLN142 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: in chain B => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNQ |
| Chain | Residue | Details |
| A | ASN119 | |
| B | ASN119 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNQ |
| Chain | Residue | Details |
| A | GLN149 | |
| B | ARG164 | |
| B | HIS210 | |
| B | HIS215 | |
| B | LYS312 | |
| B | TYR315 | |
| B | ASP319 | |
| B | GLN375 | |
| A | ARG164 | |
| A | HIS210 | |
| A | HIS215 | |
| A | LYS312 | |
| A | TYR315 | |
| A | ASP319 | |
| A | GLN375 | |
| B | GLN149 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 14 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:24141705, ECO:0007744|PDB:4BZB |
| Chain | Residue | Details |
| A | LEU150 | |
| B | HIS206 | |
| B | ASP207 | |
| B | ASP311 | |
| B | ARG366 | |
| B | TYR374 | |
| A | HIS167 | |
| A | HIS206 | |
| A | ASP207 | |
| A | ASP311 | |
| A | ARG366 | |
| A | TYR374 | |
| B | LEU150 | |
| B | HIS167 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | BINDING: in chain C => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNQ |
| Chain | Residue | Details |
| A | VAL156 | |
| A | ARG372 | |
| A | HIS376 | |
| A | LYS377 | |
| B | VAL156 | |
| B | ARG372 | |
| B | HIS376 | |
| B | LYS377 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 6 |
| Details | BINDING: in chain A => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNQ |
| Chain | Residue | Details |
| A | ARG333 | |
| A | ARG352 | |
| A | LYS354 | |
| B | ARG333 | |
| B | ARG352 | |
| B | LYS354 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | BINDING: in chain A => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4BZB, ECO:0007744|PDB:4TNX |
| Chain | Residue | Details |
| A | ASN358 | |
| B | ASN358 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | BINDING: in chain C => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNP, ECO:0007744|PDB:4TNQ, ECO:0007744|PDB:4TNR, ECO:0007744|PDB:4TNX |
| Chain | Residue | Details |
| A | ARG451 | |
| A | LYS455 | |
| B | ARG451 | |
| B | LYS455 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | BINDING: in chain A => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNP, ECO:0007744|PDB:4TNQ, ECO:0007744|PDB:4TNR, ECO:0007744|PDB:4TNX |
| Chain | Residue | Details |
| A | LYS523 | |
| B | LYS523 |
| site_id | SWS_FT_FI11 |
| 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_FI12 |
| 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 |
