MolNFT v1 · #129230 · protein
Crystal structure of the N-terminal domain of pqsa in complex with anthraniloyl-AMP (crystal form 3)
5OE5 · Anthranilate--CoA ligase: “Crystal structure of the N-terminal domain of pqsa in complex with anthraniloyl-AMP (crystal form 3)”. X-ray diffraction, 1 ligand (3UK), 2 pockets (best druggability 0.55). MolNFT v1 #129230 on GenesisL1…
- PDB
- 5OE5
- Type
- protein
- Length
- 390 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anthranilate--CoA ligase
- EC
- 6.2.1.32
- UniProt
- Q9I4X3
- Ligands
- 3UK
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anthranilate--CoA ligase (EC 6.2.1.32) | protein | 390 | 33% helix, 25% strand | Q9I4X3 |
Ligands and binding sites
- 3UK · 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 267 | 0.55 | 0.76 | 41 | 3UK |
| 2 | 106 | 0.54 | 0.84 | 19 | empty |
Compared structures
- 5OE5 · Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I4X3 · AlphaFold monomer V2.0 prediction for anthranilate--CoA ligase (Q9I4X3) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9I4X3
- Elsewhere: RCSB PDB 5OE5 · PDBe 5OE5 · UniProt Q9I4X3
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