MolNFT v1 · #145439 · protein
Crystal structure of rhodococcus jostii RHA1 ipdab
6CO6 · Probable CoA-transferase alpha subunit: “Crystal structure of rhodococcus jostii RHA1 ipdab”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.74). MolNFT v1 #145439 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6CO6
- Type
- protein
- Length
- 541 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable CoA-transferase alpha subunit; Probable CoA-transferase beta subunit
- UniProt
- Q0S7P9, Q0S7Q0
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable CoA-transferase alpha subunit | protein | 293 | 35% helix, 24% strand | Q0S7P9 |
| B | Probable CoA-transferase beta subunit | protein | 248 | 29% helix, 23% strand | Q0S7Q0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 674 | 0.74 | 0.80 | 71 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1960 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 6CO6 · Crystal structure of Rhodococcus jostii RHA1 IpdAB · the same entry in another collection · chain A against A, TM-score 1.00
- Q0S7P9 · AlphaFold monomer V2.0 prediction for cholesterol ring-cleaving hydrolase ipda subunit… · a predicted model of the same protein · chain A against A, TM-score 1.00
- Q0S7Q0 · AlphaFold monomer V2.0 prediction for cholesterol ring-cleaving hydrolase ipdb subunit… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q0S7P9
- Every structure of UniProt Q0S7Q0
- Elsewhere: RCSB PDB 6CO6 · PDBe 6CO6 · UniProt Q0S7P9 · UniProt Q0S7Q0
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