MolNFT v1 · #75811 · protein
Crystal structure of boxb crystallized with peg
3Q1G · Benzoyl-CoA oxygenase component B: “Crystal structure of boxb crystallized with peg”. X-ray diffraction, 4 ligands (FE, SO4, CL), 20 pockets (best druggability 0.87). MolNFT v1 #75811 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3Q1G
- Type
- protein
- Length
- 1,876 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Benzoyl-CoA oxygenase component B
- EC
- 1.14.12.21
- UniProt
- Q9AIX7
- Ligands
- FE, SO4, CL, OH
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 52% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Benzoyl-CoA oxygenase component B (EC 1.14.12.21) | protein | 471 | 52% helix, 9% strand | Q9AIX7 |
| B | Benzoyl-CoA oxygenase component B (EC 1.14.12.21) | protein | 468 | 53% helix, 9% strand | Q9AIX7 |
| C | Benzoyl-CoA oxygenase component B (EC 1.14.12.21) | protein | 470 | 53% helix, 9% strand | Q9AIX7 |
| D | Benzoyl-CoA oxygenase component B (EC 1.14.12.21) | protein | 467 | 53% helix, 9% strand | Q9AIX7 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 8 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 4 copies · chains A, C, B
- CL · Chloride ion · ion · 4 copies · chains A, B, C, D
- OH · Hydroxide ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 896 | 0.87 | 0.89 | 130 | CL |
| 2 | 686 | 0.84 | 0.88 | 96 | SO4, CL |
| 3 | 349 | 0.70 | 0.83 | 46 | empty |
| 4 | 347 | 0.70 | 0.83 | 47 | empty |
| 5 | 541 | 0.68 | 0.78 | 59 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1250 Ų buried · 29 hydrogen bonds · protein-protein
- A–D · 731 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 659 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 464 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
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 Q9AIX7
- Elsewhere: RCSB PDB 3Q1G · PDBe 3Q1G · UniProt Q9AIX7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.