MolNFT v1 · #102665 · protein
The crystal structure of landomycin C-6 ketoreductase lanv with bound NADP and rabelomycin
4OSO · Reductase homolog: “The crystal structure of landomycin C-6 ketoreductase lanv with bound NADP and rabelomycin”. X-ray diffraction, 2 ligands (NAP, 2V4), 5 pockets (best druggability 0.70). MolNFT v1 #102665 on GenesisL1: 3D…
- PDB
- 4OSO
- Type
- protein
- Length
- 497 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reductase homolog
- UniProt
- Q9ZGC1
- Ligands
- NAP, 2V4
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Reductase homolog | protein | 252 | 50% helix, 15% strand | Q9ZGC1 |
| B | Reductase homolog | protein | 245 | 48% helix, 16% strand | Q9ZGC1 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- 2V4 · rabelomycin · ligand · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 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 | 458 | 0.70 | 0.80 | 49 | NAP, 2V4 |
| 2 | 487 | 0.68 | 0.79 | 50 | NAP, 2V4 |
| 3 | 137 | 0.49 | 0.79 | 20 | empty |
| 4 | 191 | 0.47 | 0.75 | 23 | empty |
| 5 | 70 | 0.35 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1634 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4OSO · The crystal structure of landomycin C-6 ketoreductase LanV with bound NADP and rabelomycin · 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 Q9ZGC1
- Elsewhere: RCSB PDB 4OSO · PDBe 4OSO · UniProt Q9ZGC1
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