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Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from brucella melitensis
Analyse Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from brucella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3N74
- Type
- protein
- Length
- 916 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-ketoacyl-(acyl-carrier-protein) reductase
- EC
- 1.1.1.100
- UniProt
- Q2YJS1
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | 3-ketoacyl-(acyl-carrier-protein) reductase (EC 1.1.1.100) | protein | 227 | 48% helix, 17% strand | Q2YJS1 |
| C | 3-ketoacyl-(acyl-carrier-protein) reductase (EC 1.1.1.100) | protein | 235 | 47% helix, 16% strand | Q2YJS1 |
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1041 | 0.83 | 0.84 | 82 | empty |
| 2 | 263 | 0.57 | 0.78 | 41 | empty |
| 3 | 144 | 0.49 | 0.78 | 18 | empty |
| 4 | 133 | 0.47 | 0.78 | 20 | empty |
| 5 | 151 | 0.44 | 0.75 | 34 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1676 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1651 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1308 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 1302 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 170 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3N74 · Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Brucella melitensis · the same entry in another collection · chain B against B, 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 Q2YJS1
- Elsewhere: RCSB PDB 3N74 · PDBe 3N74 · UniProt Q2YJS1
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