MolNFT v1 · #83534 · protein
The complex structure of poph S172C with ligand, aca
3WL7 · Oxidized polyvinyl alcohol hydrolase: “The complex structure of poph S172C with ligand, aca”. X-ray diffraction, 1 ligand (P2D), 2 pockets (best druggability 0.59). MolNFT v1 #83534 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3WL7
- Type
- protein
- Length
- 336 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidized polyvinyl alcohol hydrolase
- EC
- 3.7.1.7
- UniProt
- Q9LCQ7
- Ligands
- P2D
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidized polyvinyl alcohol hydrolase (EC 3.7.1.7) | protein | 336 | 27% helix, 24% strand | Q9LCQ7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.59 | 0.82 | 28 | P2D |
| 2 | 58 | 0.31 | 0.75 | 12 | empty |
Modifications
Observed in the structure: 4 disulfide, 1 modified (disulfide, oxidation).
Compared structures
- 3WL7 · The complex structure of pOPH S172C with ligand, ACA · the same entry in another collection · chain A against A, TM-score 1.00
- Q9LCQ7 · AlphaFold monomer V2.0 prediction for oxidized polyvinyl alcohol hydrolase (Q9LCQ7) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9LCQ7
- Elsewhere: RCSB PDB 3WL7 · PDBe 3WL7 · UniProt Q9LCQ7
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