MolNFT v1 · #79890 · protein
X-ray crystal structure of human heme oxygenase-1 in complex with 1- (1H-imidazol-1-yl)-4,4-diphenyl-2 butanone
3TGM · Heme oxygenase 1: “X-ray crystal structure of human heme oxygenase-1 in complex with 1- (1H-imidazol-1-yl)-4,4-diphenyl-2…”. X-ray diffraction, 2 ligands (HEM, 3TG), 5 pockets (best druggability 0.76). MolNFT v1 #79890 on GenesisL1…
- PDB
- 3TGM
- Type
- protein
- Length
- 429 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme oxygenase 1
- EC
- 1.14.99.3
- UniProt
- P09601
- Ligands
- HEM, 3TG
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heme oxygenase 1 (EC 1.14.99.3) | protein | 214 | 75% helix, 0% strand | P09601 |
| B | Heme oxygenase 1 (EC 1.14.99.3) | protein | 215 | 74% helix, 0% strand | P09601 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- 3TG · 1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one · ligand · 2 copies · chains A, B
- HEZ · Hexane-1,6-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 474 | 0.76 | 0.84 | 41 | HEM, 3TG |
| 2 | 476 | 0.74 | 0.82 | 43 | HEM, 3TG |
| 3 | 314 | 0.64 | 0.80 | 39 | HEZ |
| 4 | 142 | 0.46 | 0.77 | 23 | empty |
| 5 | 127 | 0.42 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1270 Ų buried · 25 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 P09601
- Elsewhere: RCSB PDB 3TGM · PDBe 3TGM · UniProt P09601
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.