MolNFT v1 · #174031 · protein
Crystal structure of monooxygenase RSLO1 from streptomyces bottropensis
7BIP · Luciferase-like monooxygenase: “Crystal structure of monooxygenase RSLO1 from streptomyces bottropensis”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.78). MolNFT v1 #174031 on GenesisL1: 3D structure, binding…
- PDB
- 7BIP
- Type
- protein
- Length
- 658 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Luciferase-like monooxygenase
- UniProt
- W8QPS6
- Ligands
- CA
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Luciferase-like monooxygenase | protein | 329 | 49% helix, 18% strand | W8QPS6 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains B
- XPE · 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol · additive · chains B
- PG4 · Tetraethylene glycol · additive · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 498 | 0.78 | 0.85 | 51 | EDO |
| 2 | 592 | 0.78 | 0.84 | 55 | CA, XPE |
| 3 | 329 | 0.67 | 0.81 | 31 | PEG |
| 4 | 73 | 0.38 | 0.78 | 16 | empty |
| 5 | 57 | 0.36 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1990 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7BIP · Crystal structure of monooxygenase RslO1 from Streptomyces bottropensis · 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 W8QPS6
- Elsewhere: RCSB PDB 7BIP · PDBe 7BIP · UniProt W8QPS6
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