Research workbench
Crystal structure of pcya-181,182-dihydrobiliverdin complex
Analyse Crystal structure of pcya-181,182-dihydrobiliverdin complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3I8U
- Type
- protein
- Length
- 243 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PHYCOCYANOBILIN:FERREDOXIN oxidoreductase
- EC
- 1.3.7.5
- UniProt
- Q55891
- Ligands
- 18B
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | PHYCOCYANOBILIN:FERREDOXIN oxidoreductase (EC 1.3.7.5) | protein | 243 | 42% helix, 24% strand | Q55891 |
Ligands and binding sites
- 18B · 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid · ligand · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 238 | 0.70 | 0.86 | 39 | 18B |
| 2 | 53 | 0.36 | 0.80 | 15 | empty |
| 3 | 55 | 0.33 | 0.77 | 17 | empty |
Compared structures
- 3I8U · Crystal structure of PcyA-181,182-dihydrobiliverdin complex · the same entry in another collection · chain X against X, TM-score 1.00
- Q55891 · AlphaFold monomer V2.0 prediction for PHYCOCYANOBILIN:FERREDOXIN oxidoreductase (Q55891) · a predicted model of the same protein · chain X 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 Q55891
- Elsewhere: RCSB PDB 3I8U · PDBe 3I8U · UniProt Q55891
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