MolNFT v1 · #146896 · protein
SAMHD1 bound to gemcitabine-tp in the catalytic pocket
6DW5: “SAMHD1 bound to gemcitabine-tp in the catalytic pocket”. X-ray diffraction, 6 ligands (GTF, GTP, DTP). MolNFT v1 #146896 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DW5
- Type
- protein
- Length
- 1,910 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q9Y3Z3
- Ligands
- GTF, GTP, DTP, MG, NA, NI
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 468 | — | Q9Y3Z3 |
| B | — | protein | 480 | — | Q9Y3Z3 |
| C, D | — | protein | 481 | — | Q9Y3Z3 |
Ligands and binding sites
- GTF · 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) · ligand · 4 copies · chains A, B, C, D
- GTP · Guanosine-5'-triphosphate · ligand · 4 copies · chains A, C, D, B
- DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 10 copies · chains A, B, C, D
- NA · Sodium ion · metal · 4 copies · chains A, B, C
- NI · Nickel (II) ion · metal · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6DW5 · SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9Y3Z3
- Elsewhere: RCSB PDB 6DW5 · PDBe 6DW5 · UniProt Q9Y3Z3
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