MolNFT v1 · #100903 · protein
Oxygenase with PHE275 replaced by TRP and ferredoxin complex of carbazole 1,9A-dioxygenase (FORM1)
4NBC · Terminal oxygenase component of carbazole: “Oxygenase with PHE275 replaced by TRP and ferredoxin complex of carbazole 1,9A-dioxygenase (FORM1)”. X-ray diffraction, 2 ligands (FES, FE2), 14 pockets (best druggability 0.71). MolNFT v1…
- PDB
- 4NBC
- Type
- protein
- Length
- 1,477 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Terminal oxygenase component of carbazole; Ferredoxin carac
- EC
- 1.14.12.22
- UniProt
- Q84II6, Q8GI16
- Ligands
- FES, FE2
- Pockets
- 14 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 19% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Terminal oxygenase component of carbazole (EC 1.14.12.22) | protein | 388 | 29% helix, 31% strand | Q84II6 |
| D | Ferredoxin carac (EC 1.14.12.22) | protein | 104 | 6% helix, 49% strand | Q8GI16 |
| E | Ferredoxin carac (EC 1.14.12.22) | protein | 106 | 6% helix, 49% strand | Q8GI16 |
| F | Ferredoxin carac (EC 1.14.12.22) | protein | 103 | 6% helix, 50% strand | Q8GI16 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 6 copies · chains A, B, C, D, E, F
- FE2 · Fe (II) ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 222 | 0.71 | 0.87 | 34 | empty |
| 2 | 224 | 0.71 | 0.87 | 37 | empty |
| 3 | 224 | 0.71 | 0.87 | 37 | empty |
| 4 | 301 | 0.67 | 0.82 | 29 | empty |
| 5 | 333 | 0.66 | 0.81 | 34 | empty |
Interfaces
9 interfaces between chains.
- A–B · 1544 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1543 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 1541 Ų buried · 22 hydrogen bonds · protein-protein
- A–D · 600 Ų buried · 13 hydrogen bonds · protein-protein
- C–F · 563 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4NBC · Oxygenase with Phe275 replaced by Trp and ferredoxin complex of carbazole… · the same entry in another collection · chain E against E, TM-score 1.00
- Q8GI16 · AlphaFold monomer V2.0 prediction for ferredoxin carac (Q8GI16) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 Q84II6
- Every structure of UniProt Q8GI16
- Elsewhere: RCSB PDB 4NBC · PDBe 4NBC · UniProt Q84II6 · UniProt Q8GI16
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