Research workbench
Crystal structure of a. niger ochratoxinase
Analyse Crystal structure of a. niger ochratoxinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C65
- Type
- protein
- Length
- 3,463 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ochratoxinase
- EC
- 3.4.13.9, 3.5.1.-
- UniProt
- A2R2V4
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 7 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ochratoxinase (EC 3.4.13.9, 3.5.1.-) | protein | 436 | 38% helix, 22% strand | A2R2V4 |
| B | Ochratoxinase (EC 3.4.13.9, 3.5.1.-) | protein | 430 | 37% helix, 22% strand | A2R2V4 |
| C | Ochratoxinase (EC 3.4.13.9, 3.5.1.-) | protein | 433 | 38% helix, 22% strand | A2R2V4 |
| D, E | Ochratoxinase (EC 3.4.13.9, 3.5.1.-) | protein | 435 | 38% helix, 22% strand | A2R2V4 |
| F | Ochratoxinase (EC 3.4.13.9, 3.5.1.-) | protein | 434 | 38% helix, 22% strand | A2R2V4 |
| G | Ochratoxinase (EC 3.4.13.9, 3.5.1.-) | protein | 431 | 38% helix, 22% strand | A2R2V4 |
| H | Ochratoxinase (EC 3.4.13.9, 3.5.1.-) | protein | 429 | 38% helix, 22% strand | A2R2V4 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.80 | 0.82 | 111 | empty |
| 2 | 961 | 0.80 | 0.81 | 111 | empty |
| 3 | 1196 | 0.77 | 0.79 | 116 | empty |
| 4 | 1152 | 0.77 | 0.79 | 111 | empty |
| 5 | 680 | 0.71 | 0.78 | 64 | empty |
Interfaces
14 interfaces between chains.
- C–D · 1951 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1944 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1940 Ų buried · 20 hydrogen bonds · protein-protein
- G–H · 1932 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 1050 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 4C65 · Crystal structure of A. niger ochratoxinase · 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 A2R2V4
- Elsewhere: RCSB PDB 4C65 · PDBe 4C65 · UniProt A2R2V4
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