MolNFT v1 · #102024 · protein
Crystal structure of pseudomonas oleovorans pooph mutant H250I/I263W
4O98 · Organophosphorus hydrolase: “Crystal structure of pseudomonas oleovorans pooph mutant H250I/I263W”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.83). MolNFT v1 #102024 on GenesisL1: 3D structure, binding sites…
- PDB
- 4O98
- Type
- protein
- Length
- 613 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Organophosphorus hydrolase
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Organophosphorus hydrolase | protein | 306 | 28% helix, 27% strand | — |
| B | Organophosphorus hydrolase | protein | 307 | 28% helix, 27% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 483 | 0.83 | 0.90 | 59 | empty |
| 2 | 477 | 0.72 | 0.82 | 42 | empty |
| 3 | 460 | 0.72 | 0.82 | 49 | empty |
| 4 | 132 | 0.58 | 0.83 | 19 | empty |
| 5 | 125 | 0.55 | 0.82 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2674 Ų buried · 52 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4O98 · Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W · 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
- Elsewhere: RCSB PDB 4O98 · PDBe 4O98
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