MolNFT v1 · #42632 · protein
NMR solution structures of 2-octenoyl-acp from streptomyces coelicolor fatty acid synthase
2KOR · Acyl carrier protein: “NMR solution structures of 2-octenoyl-acp from streptomyces coelicolor fatty acid synthase”. Solution nmr, 1 ligand (SOO), 1 pocket (best druggability 0.59). MolNFT v1 #42632 on GenesisL1: 3D structure…
- PDB
- 2KOR
- 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
- SOO
- Pockets
- 1 · best druggability 0.59
Structure
solution nmr · 1 distinct chain · 59% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl carrier protein | protein | 81 | 59% helix, 5% strand | P72393 |
Ligands and binding sites
- SOO · S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate · 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 | 89 | 0.59 | 0.87 | 23 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2KOR · NMR solution structures of 2-octenoyl-ACP from Streptomyces coelicolor Fatty Acid Synthase · 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 2KOR · PDBe 2KOR · UniProt P72393
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