Research workbench
Putative fabg from acinetobacter baumannii
Analyse Putative fabg from acinetobacter baumannii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KRK
- Type
- protein
- Length
- 961 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] reductase
- EC
- 1.1.1.47
- UniProt
- A0A077GFB1
- Pockets
- 13 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.47) | protein | 240 | 50% helix, 16% strand | A0A077GFB1 |
| B | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.47) | protein | 238 | 49% helix, 16% strand | A0A077GFB1 |
| C | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.47) | protein | 244 | 49% helix, 17% strand | A0A077GFB1 |
| D | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.47) | protein | 239 | 50% helix, 17% strand | A0A077GFB1 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 448 | 0.85 | 0.93 | 54 | empty |
| 2 | 417 | 0.66 | 0.79 | 45 | empty |
| 3 | 370 | 0.64 | 0.79 | 40 | empty |
| 4 | 440 | 0.63 | 0.77 | 53 | empty |
| 5 | 335 | 0.62 | 0.78 | 35 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1656 Ų buried · 33 hydrogen bonds · protein-protein
- A–D · 1637 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1615 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1609 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 227 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7KRK · Putative FabG from Acinetobacter baumannii · 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 A0A077GFB1
- Elsewhere: RCSB PDB 7KRK · PDBe 7KRK · UniProt A0A077GFB1
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