MolNFT v1 · #119321 · protein
MTH1 substrate recognition: complex with a methylbenzimidazolyl acetamide.
5FSM · 7,8-dihydro-8-oxoguanine triphosphatase: “MTH1 substrate recognition: complex with a methylbenzimidazolyl acetamide.”. X-ray diffraction, 1 ligand (N91), 1 pocket (best druggability 0.73). MolNFT v1 #119321 on GenesisL1: 3D…
- PDB
- 5FSM
- Type
- protein
- Length
- 154 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 7,8-dihydro-8-oxoguanine triphosphatase
- EC
- 3.6.1.55, 3.6.1.56
- UniProt
- P36639
- Ligands
- N91
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 7,8-dihydro-8-oxoguanine triphosphatase (EC 3.6.1.55, 3.6.1.56) | protein | 154 | 18% helix, 45% strand | P36639 |
Ligands and binding sites
- N91 · N-(1-methylbenzimidazol-5-yl)acetamide · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 197 | 0.73 | 0.89 | 30 | N91, DMS |
Compared structures
- 5FSM · MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide. · 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 5FSM · PDBe 5FSM · UniProt P36639
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