Research workbench
The structure of betaketoacyl-[acp] reductase Y151F mutant in complex with NADPH fragment
Analyse The structure of betaketoacyl-[acp] reductase Y151F mutant in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1Q7C
- Type
- protein
- Length
- 486 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier protein] reductase
- EC
- 1.1.1.100
- UniProt
- P25716
- Ligands
- NDP
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 243 | 51% helix, 16% strand | P25716 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 520 | 0.73 | 0.81 | 46 | NDP |
| 2 | 548 | 0.68 | 0.78 | 47 | NDP |
| 3 | 174 | 0.53 | 0.79 | 26 | empty |
| 4 | 69 | 0.31 | 0.74 | 16 | empty |
| 5 | 62 | 0.31 | 0.75 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 1727 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 1Q7C · The structure of betaketoacyl-[ACP] reductase Y151F mutant in complex with NADPH fragment · 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 P25716
- Elsewhere: RCSB PDB 1Q7C · PDBe 1Q7C · UniProt P25716
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