Research workbench
Crystal structures of ferrous and ferrous-no forms of verdoheme in a complex with human heme oxygenase-1: catalytic implications for heme cleavage
Analyse Crystal structures of ferrous and ferrous-no forms of verdoheme in a complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TWR
- Type
- protein
- Length
- 428 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
- VER, NO
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heme oxygenase 1 (EC 1.14.99.3) | protein | 214 | 74% helix, 0% strand | P09601 |
Ligands and binding sites
- VER · Iron-octaethylporphyrin · ligand · 2 copies · chains A, B
- NO · Nitric oxide · ion · 2 copies · chains A, B
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 | 403 | 0.75 | 0.84 | 41 | VER, NO |
| 2 | 367 | 0.72 | 0.83 | 40 | VER, NO |
| 3 | 293 | 0.62 | 0.79 | 36 | empty |
| 4 | 143 | 0.46 | 0.77 | 18 | empty |
| 5 | 88 | 0.42 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1179 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 1TWR · Crystal structures of ferrous and ferrous-NO forms of verdoheme in a complex with human… · the same entry in another collection · chain A against A, TM-score 1.00
- P09601 · AlphaFold monomer V2.0 prediction for heme oxygenase 1 (P09601) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 1TWR · PDBe 1TWR · UniProt P09601
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