MolNFT v1 · #153250 · protein
Crystal structure of tleb with nmvt
6J83 · Cytochrome P-450: “Crystal structure of tleb with nmvt”. X-ray diffraction, 2 ligands (HEM, B9R), 3 pockets (best druggability 0.86). MolNFT v1 #153250 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6J83
- Type
- protein
- Length
- 392 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P-450
- UniProt
- A0A077KEB8
- Ligands
- HEM, B9R
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P-450 | protein | 392 | 54% helix, 11% strand | A0A077KEB8 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- B9R · N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 651 | 0.86 | 0.90 | 68 | HEM, B9R |
| 2 | 52 | 0.33 | 0.78 | 15 | empty |
| 3 | 95 | 0.33 | 0.73 | 16 | empty |
Compared structures
- 6J83 · Crystal structure of TleB with NMVT · 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 A0A077KEB8
- Elsewhere: RCSB PDB 6J83 · PDBe 6J83 · UniProt A0A077KEB8
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