MolNFT v1 · #95285 · protein
Crystal structure of short chain alcohol dehydrogenase (rspb) from E. COLI CFT073 (efi target efi-506413) complexed with cofactor NADH
4ILK · Starvation sensing protein rspb: “Crystal structure of short chain alcohol dehydrogenase (rspb) from E. COLI CFT073 (efi target efi-506413)…”. X-ray diffraction, 3 ligands (NAI, MN, ZN), 5 pockets (best druggability 0.71). MolNFT v1…
- PDB
- 4ILK
- Type
- protein
- Length
- 674 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Starvation sensing protein rspb
- EC
- 1.1.1.-
- UniProt
- Q8FHC8
- Ligands
- NAI, MN, ZN
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Starvation sensing protein rspb (EC 1.1.1.-) | protein | 337 | 31% helix, 30% strand | Q8FHC8 |
| B | Starvation sensing protein rspb (EC 1.1.1.-) | protein | 337 | 32% helix, 30% strand | Q8FHC8 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- ZN · Zinc ion · metal · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 699 | 0.71 | 0.78 | 59 | NAI, MN |
| 2 | 625 | 0.70 | 0.78 | 58 | NAI, MN |
| 3 | 106 | 0.38 | 0.75 | 16 | empty |
| 4 | 102 | 0.37 | 0.75 | 16 | empty |
| 5 | 54 | 0.31 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1772 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 4ILK · Crystal structure of short chain alcohol dehydrogenase (rspB) from E. coli CFT073 (EFI… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8FHC8
- Elsewhere: RCSB PDB 4ILK · PDBe 4ILK · UniProt Q8FHC8
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