MolNFT v1 · #138647 · protein
Solution structure of kstb-pcp loaded with nicotinic acid in kosinostatin biosynthesis
5WPY · Peptidyl carrier protein: “Solution structure of kstb-pcp loaded with nicotinic acid in kosinostatin biosynthesis”. Solution nmr, 1 ligand (PN7), 1 pocket (best druggability 0.79). MolNFT v1 #138647 on GenesisL1: 3D structure…
- PDB
- 5WPY
- 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
- PN7
- Pockets
- 1 · best druggability 0.79
Structure
solution nmr · 1 distinct chain · 62% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl carrier protein | protein | 89 | 62% helix, 0% strand | A0A023GUP0 |
Ligands and binding sites
- PN7 · N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 290 | 0.79 | 0.90 | 38 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5WPY · 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 5WPY · PDBe 5WPY · UniProt A0A023GUP0
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