MolNFT v1 · #164955 · protein
The structure of CYP121 in complex with inhibitor L21
6TET · Mycocyclosin synthase: “The structure of CYP121 in complex with inhibitor L21”. X-ray diffraction, 2 ligands (N5Z, HEM), 2 pockets (best druggability 0.87). MolNFT v1 #164955 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6TET
- Type
- protein
- Length
- 392 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mycocyclosin synthase
- EC
- 1.14.19.70
- UniProt
- P9WPP6
- Ligands
- N5Z, HEM
- Pockets
- 2 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mycocyclosin synthase (EC 1.14.19.70) | protein | 392 | 52% helix, 10% strand | P9WPP6 |
Ligands and binding sites
- N5Z · 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole · ligand · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 831 | 0.87 | 0.89 | 79 | N5Z, EDO, HEM |
| 2 | 53 | 0.28 | 0.74 | 15 | empty |
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 P9WPP6
- Elsewhere: RCSB PDB 6TET · PDBe 6TET · UniProt P9WPP6
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