MolNFT v1 · #174930 · protein
Crystal structure of bacterial reductase
7CAZ · 3-oxoacyl-[acyl-carrier-protein] reductase: “Crystal structure of bacterial reductase”. X-ray diffraction, 11 pockets (best druggability 0.82). MolNFT v1 #174930 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CAZ
- Type
- protein
- Length
- 962 residues
- Chains
- 4
- 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
- V5VHN7
- Pockets
- 11 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 240 | 52% helix, 17% strand | V5VHN7 |
| C | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 242 | 52% helix, 17% strand | V5VHN7 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 353 | 0.82 | 0.92 | 46 | empty |
| 2 | 558 | 0.70 | 0.79 | 51 | GOL |
| 3 | 619 | 0.70 | 0.78 | 49 | empty |
| 4 | 561 | 0.69 | 0.78 | 47 | empty |
| 5 | 574 | 0.67 | 0.77 | 44 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1660 Ų buried · 32 hydrogen bonds · protein-protein
- A–D · 1651 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 1635 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 1599 Ų buried · 32 hydrogen bonds · protein-protein
- B–D · 117 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7CAZ · Crystal structure of bacterial reductase · 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 V5VHN7
- Elsewhere: RCSB PDB 7CAZ · PDBe 7CAZ · UniProt V5VHN7
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