Research workbench
Structure of pseudomonas aeruginosa fabf mutant C164Q in complex with platensimycin
Analyse Structure of pseudomonas aeruginosa fabf mutant C164Q in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OC1
- Type
- protein
- Length
- 824 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase 2
- EC
- 2.3.1.179
- UniProt
- O54440
- Ligands
- PMN, K
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxoacyl-[acyl-carrier-protein] synthase 2 (EC 2.3.1.179) | protein | 412 | 38% helix, 21% strand | O54440 |
Ligands and binding sites
- PMN · Platensimycin · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · chains A
- DMS · Dimethyl sulfoxide · additive · 11 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 102 | 0.78 | 0.98 | 30 | empty |
| 2 | 245 | 0.72 | 0.87 | 41 | PMN |
| 3 | 196 | 0.70 | 0.87 | 32 | PMN |
| 4 | 53 | 0.69 | 0.97 | 16 | empty |
| 5 | 58 | 0.48 | 0.85 | 16 | DMS |
Interfaces
1 interface between chains.
- A–B · 2814 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7OC1 · Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin · 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 O54440
- Elsewhere: RCSB PDB 7OC1 · PDBe 7OC1 · UniProt O54440
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