MolNFT v1 · #42629 · protein
NMR solution structures of hexanoyl-acp from the streptomyces coelicolor fatty acid synthase
2KOO · Acyl carrier protein: “NMR solution structures of hexanoyl-acp from the streptomyces coelicolor fatty acid synthase”. Solution nmr, 1 ligand (SXH), 1 pocket (best druggability 0.56). MolNFT v1 #42629 on GenesisL1: 3D structure…
- PDB
- 2KOO
- 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
- SXH
- Pockets
- 1 · best druggability 0.56
Structure
solution nmr · 1 distinct chain · 63% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl carrier protein | protein | 81 | 63% helix, 0% strand | P72393 |
Ligands and binding sites
- SXH · S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate · 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 | 81 | 0.56 | 0.86 | 20 | SXH |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2KOO · NMR solution structures of hexanoyl-ACP from the 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 2KOO · PDBe 2KOO · UniProt P72393
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