MolNFT v1 · #155842 · protein
Crystal structure of OS1348 from pseudomonas sp. OS17
6LK7 · Nitrile hydratase, alpha chain: “Crystal structure of OS1348 from pseudomonas sp. OS17”. X-ray diffraction, 2 pockets (best druggability 0.33). MolNFT v1 #155842 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6LK7
- Type
- protein
- Length
- 287 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitrile hydratase, alpha chain
- UniProt
- A0A0D6BD52
- Pockets
- 2 · best druggability 0.33
Structure
x-ray diffraction · 3 distinct chains · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitrile hydratase, alpha chain | protein | 78 | 73% helix, 1% strand | A0A0D6BD52 |
| B | Nitrile hydratase, alpha chain | protein | 77 | 74% helix, 1% strand | A0A0D6BD52 |
| C, D | Nitrile hydratase, alpha chain | protein | 66 | 74% helix, 2% strand | A0A0D6BD52 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 72 | 0.33 | 0.75 | 15 | empty |
| 2 | 59 | 0.32 | 0.76 | 14 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1468 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1135 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 451 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 446 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 180 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6LK7 · crystal structure of Os1348 from Pseudomonas sp. Os17 · 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 A0A0D6BD52
- Elsewhere: RCSB PDB 6LK7 · PDBe 6LK7 · UniProt A0A0D6BD52
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