MolNFT v1 · #160471 · protein
Crystal structure of mhud R26S mutant in complex with biliverdin
6PLE · Heme oxygenase (mycobilin-producing): “Crystal structure of mhud R26S mutant in complex with biliverdin”. X-ray diffraction, 1 ligand (BLA), 2 pockets (best druggability 0.72). MolNFT v1 #160471 on GenesisL1: 3D structure, binding…
- PDB
- 6PLE
- Type
- protein
- Length
- 192 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme oxygenase (mycobilin-producing)
- EC
- 1.14.99.57
- UniProt
- P9WKH3
- Ligands
- BLA
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heme oxygenase (mycobilin-producing) (EC 1.14.99.57) | protein | 96 | 27% helix, 29% strand | P9WKH3 |
Ligands and binding sites
- BLA · Biliverdine IX alpha · ligand · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 550 | 0.72 | 0.80 | 37 | BLA |
| 2 | 536 | 0.71 | 0.80 | 35 | BLA |
Interfaces
1 interface between chains.
- A–B · 278 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6PLE · Crystal structure of MhuD R26S mutant in complex with biliverdin · the same entry in another collection · chain A against A, TM-score 1.00
- P9WKH3 · AlphaFold monomer V2.0 prediction for heme oxygenase (mycobilin- producing) (P9WKH3) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P9WKH3
- Elsewhere: RCSB PDB 6PLE · PDBe 6PLE · UniProt P9WKH3
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