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Solution structure of kstb-pcp loaded with nicotinic acid in kosinostatin biosynthesis

Analyse Solution structure of kstb-pcp loaded with nicotinic acid in kosinostatin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5WPX
Type: protein
Length: 89 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peptidyl carrier protein
UniProt: A0A023GUP0
Ligands: 7V9
Pockets: 1 · best druggability 0.75

Structure

solution nmr · 1 distinct chain · 58% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peptidyl carrier protein	protein	89	58% helix, 0% strand	A0A023GUP0

Ligands and binding sites

7V9 · ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate · 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	470	0.75	0.83	52	7V9

Modifications

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

Compared structures

5WPX · Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis · 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 A0A023GUP0
Elsewhere: RCSB PDB 5WPX · PDBe 5WPX · UniProt A0A023GUP0

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