MolNFT v1 · #85254 · protein
Crystal structure of the omega transaminase from chromobacterium violaceum in the apo form, crystallised from polyacrylic acid
4A6R: “Crystal structure of the omega transaminase from chromobacterium violaceum in the apo form, crystallised from…”. X-ray diffraction, 1 ligand (TA8), 5 pockets (best druggability 0.81). MolNFT v1 #85254 on GenesisL1: 3D structure…
- PDB
- 4A6R
- Type
- protein
- Length
- 845 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Omega transaminase
- EC
- 2.6.1.18, 2.6.1.62
- UniProt
- Q7NWG4
- Ligands
- TA8
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Omega transaminase (EC 2.6.1.18, 2.6.1.62) | protein | 423 | 45% helix, 18% strand | Q7NWG4 |
| B | Omega transaminase (EC 2.6.1.18, 2.6.1.62) | protein | 422 | 45% helix, 18% strand | Q7NWG4 |
Ligands and binding sites
- TA8 · Polyacrylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1035 | 0.81 | 0.82 | 96 | TA8 |
| 2 | 1177 | 0.80 | 0.81 | 96 | TA8 |
| 3 | 69 | 0.35 | 0.77 | 17 | empty |
| 4 | 69 | 0.33 | 0.75 | 19 | empty |
| 5 | 51 | 0.30 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2382 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4A6R · Crystal structure of the omega transaminase from Chromobacterium violaceum in the apo… · 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 Q7NWG4
- Elsewhere: RCSB PDB 4A6R · PDBe 4A6R · UniProt Q7NWG4
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