MolNFT v1 · #185317 · protein
Apo fabb from pseudomonas aeruginosa with single point mutation C161A
7PPS · 3-oxoacyl-[acyl-carrier-protein] synthase 1: “Apo fabb from pseudomonas aeruginosa with single point mutation C161A”. X-ray diffraction, 2 ligands (IOD, CL), 3 pockets (best druggability 0.82). MolNFT v1 #185317 on GenesisL1: 3D…
- PDB
- 7PPS
- Type
- protein
- Length
- 808 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase 1
- EC
- 2.3.1.41
- UniProt
- Q02K94
- Ligands
- IOD, CL
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxoacyl-[acyl-carrier-protein] synthase 1 (EC 2.3.1.41) | protein | 404 | 40% helix, 22% strand | Q02K94 |
Ligands and binding sites
- IOD · Iodide ion · ion · 11 copies · chains A, B
- CL · Chloride ion · ion · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 18 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 514 | 0.82 | 0.88 | 100 | EDO, IOD, CL |
| 2 | 147 | 0.51 | 0.79 | 36 | EDO |
| 3 | 77 | 0.32 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2988 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 7PPS · apo FabB from Pseudomonas aeruginosa with single point mutation C161A · the same entry in another collection · chain A against A, TM-score 1.00
- Q02K94 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 1… · a predicted model of the same protein · 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 Q02K94
- Elsewhere: RCSB PDB 7PPS · PDBe 7PPS · UniProt Q02K94
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