Research workbench
Crystal structure of cla-er with product binding
Analyse Crystal structure of cla-er with product binding in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QLX
- Type
- protein
- Length
- 427 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitroreductase family protein
- EC
- 1.-.-.-
- UniProt
- U6C5W9
- Ligands
- FMN, KTC, CL
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitroreductase family protein (EC 1.-.-.-) | protein | 217 | 47% helix, 16% strand | U6C5W9 |
| B | Nitroreductase family protein (EC 1.-.-.-) | protein | 210 | 48% helix, 17% strand | U6C5W9 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- KTC · 10-oxooctadecanoic acid · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 5 copies · chains A, B
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 | 365 | 0.74 | 0.85 | 45 | KTC, FMN |
| 2 | 382 | 0.73 | 0.84 | 46 | FMN, KTC |
Interfaces
1 interface between chains.
- A–B · 1917 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4QLX · Crystal structure of CLA-ER with product binding · 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 U6C5W9
- Elsewhere: RCSB PDB 4QLX · PDBe 4QLX · UniProt U6C5W9
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