MolNFT v1 · #53875 · protein
P450 BM3 F87A in complex with dmso
2X7Y · Bifunctional P-450/NADPH-P450 reductase: “P450 BM3 F87A in complex with dmso”. X-ray diffraction, 2 ligands (HEM, ZN), 9 pockets (best druggability 0.87). MolNFT v1 #53875 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2X7Y
- Type
- protein
- Length
- 876 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional P-450/NADPH-P450 reductase
- EC
- 1.14.14.1
- UniProt
- P14779
- Ligands
- HEM, ZN
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional P-450/NADPH-P450 reductase (EC 1.14.14.1) | protein | 437 | 54% helix, 12% strand | P14779 |
| B | Bifunctional P-450/NADPH-P450 reductase (EC 1.14.14.1) | protein | 439 | 54% helix, 12% strand | P14779 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 845 | 0.87 | 0.89 | 89 | HEM, DMS |
| 2 | 870 | 0.87 | 0.89 | 90 | HEM, DMS |
| 3 | 514 | 0.62 | 0.75 | 70 | empty |
| 4 | 154 | 0.58 | 0.82 | 27 | empty |
| 5 | 128 | 0.54 | 0.82 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1007 Ų buried · 19 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 P14779
- Elsewhere: RCSB PDB 2X7Y · PDBe 2X7Y · UniProt P14779
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.