MolNFT v1 · #103845 · protein
Crystal structure of ALPHA/BETA hydrolase from rhodopseudomonas palustris CGA009
4PSU: “Crystal structure of ALPHA/BETA hydrolase from rhodopseudomonas palustris CGA009”. X-ray diffraction, 2 pockets (best druggability 0.75). MolNFT v1 #103845 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4PSU
- Type
- protein
- Length
- 286 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALPHA/BETA hydrolase
- EC
- 3.-.-.-
- UniProt
- Q6N9M9
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALPHA/BETA hydrolase (EC 3.-.-.-) | protein | 286 | 45% helix, 16% strand | Q6N9M9 |
Ligands and binding sites
- 12P · Dodecaethylene glycol · additive · chains A
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 | 573 | 0.75 | 0.82 | 48 | 12P |
| 2 | 63 | 0.31 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 4PSU · Crystal structure of alpha/beta hydrolase from Rhodopseudomonas palustris CGA009 · 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 Q6N9M9
- Elsewhere: RCSB PDB 4PSU · PDBe 4PSU · UniProt Q6N9M9
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