MolNFT v1 · #42630 · protein
NMR solution structures of 3-oxooctanyl-acp from streptomyces coelicolor fatty acid synthase
2KOP · Acyl carrier protein: “NMR solution structures of 3-oxooctanyl-acp from streptomyces coelicolor fatty acid synthase”. Solution nmr, 1 ligand (SYO), 1 pocket (best druggability 0.44). MolNFT v1 #42630 on GenesisL1: 3D structure…
- PDB
- 2KOP
- Type
- protein
- Length
- 81 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl carrier protein
- UniProt
- P72393
- Ligands
- SYO
- Pockets
- 1 · best druggability 0.44
Structure
solution nmr · 1 distinct chain · 57% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl carrier protein | protein | 81 | 57% helix, 0% strand | P72393 |
Ligands and binding sites
- SYO · [(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.44 | 0.82 | 18 | SYO |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2KOP · NMR solution structures of 3-oxooctanyl-ACP from Streptomyces coelicolor Fatty Acid… · 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 P72393
- Elsewhere: RCSB PDB 2KOP · PDBe 2KOP · UniProt P72393
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