MolNFT v1 · #13078 · protein
Crystal structure of butyryl-acp I62M mutant
1L0I · Acyl carrier protein: “Crystal structure of butyryl-acp I62M mutant”. X-ray diffraction, 3 ligands (PSR, ZN, NA), 1 pocket (best druggability 0.43). MolNFT v1 #13078 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1L0I
- Type
- protein
- Length
- 77 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl carrier protein
- UniProt
- P0A6A8
- Ligands
- PSR, ZN, NA
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl carrier protein | protein | 77 | 58% helix, 3% strand | P0A6A8 |
Ligands and binding sites
- PSR · Thiobutyric acid S-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester · ligand · chains A
- ZN · Zinc ion · metal · 7 copies · chains A
- NA · Sodium ion · metal · chains A
- CAC · Cacodylate ion · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.43 | 0.80 | 18 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 P0A6A8
- Elsewhere: RCSB PDB 1L0I · PDBe 1L0I · UniProt P0A6A8
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