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 | Active site: {"evidences":[{"source":"PubMed","id":"22056990","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 10 |
| Details | Binding site: {"description":"in chain B","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"in chain B","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 14 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"24141705","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4BZB","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | Binding site: {"description":"in chain C","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 6 |
| Details | Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"24141705","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4BZB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | Binding site: {"description":"in chain C","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphothreonine; by CDK1","evidences":[{"source":"PubMed","id":"23601106","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23602554","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26294762","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26431200","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29610582","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29670289","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17081983","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 8 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
