MolNFT v1 · #180964 · protein
CHSB1
7LG9 · 3-ketoacyl-acp reductase: “CHSB1”. X-ray diffraction, 4 pockets (best druggability 0.74). MolNFT v1 #180964 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7LG9
- Type
- protein
- Length
- 540 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-ketoacyl-acp reductase
- EC
- 1.1.1.-, 1.1.1.100
- UniProt
- A0A045J1S8
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-ketoacyl-acp reductase (EC 1.1.1.-, 1.1.1.100) | protein | 272 | 46% helix, 18% strand | A0A045J1S8 |
| B | 3-ketoacyl-acp reductase (EC 1.1.1.-, 1.1.1.100) | protein | 268 | 47% helix, 19% strand | A0A045J1S8 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.74 | 0.85 | 49 | empty |
| 2 | 167 | 0.47 | 0.76 | 36 | empty |
| 3 | 131 | 0.40 | 0.75 | 26 | empty |
| 4 | 68 | 0.35 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 3633 Ų buried · 51 hydrogen bonds · protein-protein
Compared structures
- 7LG9 · ChsB1 · 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 A0A045J1S8
- Elsewhere: RCSB PDB 7LG9 · PDBe 7LG9 · UniProt A0A045J1S8
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