MolNFT v1 · #99617 · protein
Crystal structure of 3-ketoacyl -(acyl carrier protein) reductase (fabg) from neisseria meningitidis
4M8S · Putative 3-oxoacyl-[acyl-carrier protein] reductase: “Crystal structure of 3-ketoacyl -(acyl carrier protein) reductase (fabg) from neisseria meningitidis”. X-ray diffraction, 10 pockets (best druggability 0.85). MolNFT v1 #99617 on…
- PDB
- 4M8S
- Type
- protein
- Length
- 977 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative 3-oxoacyl-[acyl-carrier protein] reductase
- EC
- 1.1.1.100
- UniProt
- A1KRY4
- Pockets
- 10 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Putative 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 247 | 51% helix, 15% strand | A1KRY4 |
| B | Putative 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 246 | 50% helix, 15% strand | A1KRY4 |
| D | Putative 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 237 | 50% helix, 16% strand | A1KRY4 |
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 726 | 0.85 | 0.88 | 70 | empty |
| 2 | 400 | 0.70 | 0.82 | 52 | empty |
| 3 | 291 | 0.68 | 0.83 | 47 | empty |
| 4 | 451 | 0.66 | 0.78 | 50 | empty |
| 5 | 233 | 0.64 | 0.83 | 45 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1692 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 1667 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 1662 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 1609 Ų buried · 26 hydrogen bonds · protein-protein
- A–D · 127 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4M8S · Crystal structure of 3-ketoacyl -(acyl carrier protein) reductase (FabG) from Neisseria… · 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 A1KRY4
- Elsewhere: RCSB PDB 4M8S · PDBe 4M8S · UniProt A1KRY4
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