MolNFT v1 · #42631 · protein

NMR solution structures of 3-hydroxyoctanoyl-acp from streptomyces coelicolor fatty acid synthase

2KOQ · Acyl carrier protein: “NMR solution structures of 3-hydroxyoctanoyl-acp from streptomyces coelicolor fatty acid synthase”. Solution nmr, 1 ligand (SHW), 1 pocket (best druggability 0.54). MolNFT v1 #42631 on GenesisL1: 3D structure…

PDB: 2KOQ
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: SHW
Pockets: 1 · best druggability 0.54

Structure

solution nmr · 1 distinct chain · 65% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acyl carrier protein	protein	81	65% helix, 0% strand	P72393

Ligands and binding sites

SHW · S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	67	0.54	0.86	18	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

2KOQ · NMR solution structures of 3-hydroxyoctanoyl-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 2KOQ · PDBe 2KOQ · UniProt P72393

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