Research workbench
Crystal structure of nitrilotriacetate monooxygenase component B from bacillus cereus
Analyse Crystal structure of nitrilotriacetate monooxygenase component B from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BPK
- Type
- protein
- Length
- 398 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitrilotriacetate monooxygenase component B
- EC
- 1.14.13.-
- UniProt
- Q814U7
- Ligands
- CL, SO4
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitrilotriacetate monooxygenase component B (EC 1.14.13.-) | protein | 196 | 19% helix, 42% strand | Q814U7 |
| B | Nitrilotriacetate monooxygenase component B (EC 1.14.13.-) | protein | 202 | 20% helix, 41% strand | Q814U7 |
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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 330 | 0.59 | 0.77 | 38 | CL |
| 2 | 267 | 0.56 | 0.77 | 44 | CL |
Interfaces
1 interface between chains.
- A–B · 4159 Ų buried · 43 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3BPK · Crystal structure of nitrilotriacetate monooxygenase component B from Bacillus cereus · 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 Q814U7
- Elsewhere: RCSB PDB 3BPK · PDBe 3BPK · UniProt Q814U7
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