MolNFT v1 · #125096 · protein
Crystal structure of CYP101J2
5KYO: “Crystal structure of CYP101J2”. X-ray diffraction, 1 ligand (HEM), 19 pockets (best druggability 0.85). MolNFT v1 #125096 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5KYO
- Type
- protein
- Length
- 2,334 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CYP101J2
- Ligands
- HEM
- Pockets
- 19 · best druggability 0.85
Structure
x-ray diffraction · 6 distinct chains · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CYP101J2 | protein | 394 | 49% helix, 11% strand | — |
| B | CYP101J2 | protein | 393 | 49% helix, 11% strand | — |
| C | CYP101J2 | protein | 390 | 50% helix, 12% strand | — |
| D | CYP101J2 | protein | 384 | 51% helix, 10% strand | — |
| E | CYP101J2 | protein | 390 | 51% helix, 11% strand | — |
| F | CYP101J2 | protein | 383 | 49% helix, 11% strand | — |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 901 | 0.85 | 0.87 | 86 | HEM |
| 2 | 937 | 0.85 | 0.86 | 93 | HEM |
| 3 | 884 | 0.84 | 0.86 | 84 | HEM |
| 4 | 859 | 0.84 | 0.86 | 89 | HEM |
| 5 | 908 | 0.84 | 0.86 | 87 | HEM |
Interfaces
7 interfaces between chains.
- A–B · 471 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 470 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 466 Ų buried · 6 hydrogen bonds · protein-protein
- C–E · 405 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 353 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5KYO · Crystal Structure of CYP101J2 · 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
- Elsewhere: RCSB PDB 5KYO · PDBe 5KYO
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.