MolNFT v1 · #128108 · protein
Crystal structure of human MTH1 in complex with inhibitor 6-[(2- PHENYLETHYL)SULFANYL]-7H-purin-2-amine
5NGS: “Crystal structure of human MTH1 in complex with inhibitor 6-[(2- PHENYLETHYL)SULFANYL]-7H-purin-2-amine”. X-ray diffraction, 2 ligands (8WW, SO4). MolNFT v1 #128108 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5NGS
- Type
- protein
- Length
- 308 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P36639
- Ligands
- 8WW, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 154 | — | P36639 |
Ligands and binding sites
- 8WW · 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 9 copies · chains A, B
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5NGS · Crystal structure of human MTH1 in complex with inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- P36639 · AlphaFold monomer V2.0 prediction for 7,8-dihydro-8-oxoguanine triphosphatase (P36639) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P36639
- Elsewhere: RCSB PDB 5NGS · PDBe 5NGS · UniProt P36639
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