Structure of PDB 8ywo Chain A Binding Site BS01

Receptor Information

>8ywo Chain A (length=240) Species: 533317 (Pseudomonas sp. A2C)

MQLTDFKALTFDCYGTLIDWETGIVNALQPLAKRTGKTFTSDELLEVFGR
NESPQQTETPGALYQDILRAVYDRIAKEWGLEPDAAEREEFGTSVKNWPA
FPDTVEALQYLKKHYKLVILSNIDRNEFKLSNAKLGVEFDHIITAQDVGS
YKPNPNNFTYMIDALAKAGIEKKDILHTAESLYHDHIPANDAGLVSAWIY
RRHGKEGYGATHVPSRMPNVDFRFNSMGEMAEAHKQALKG

Ligand information

• Ligand ID: 02A
• InChI: InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
• InChIKey: IADUEWIQBXOCDZ-VKHMYHEASA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C1CN[C@@H]1C(=O)O
  OpenEye OEToolkits 1.7.0: C1CNC1C(=O)O
  CACTVS 3.370: OC(=O)[CH]1CCN1
  CACTVS 3.370: OC(=O)[C@@H]1CCN1
  ACDLabs 12.01: O=C(O)C1NCC1
• Formula: C4 H7 N O2
• Name: (2S)-azetidine-2-carboxylic acid
• ChEMBL: CHEMBL1165239
• ZINC: ZINC000001698540
• PDB chain: 8ywo Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ywo Research for the crystal structure of L-azetidine-2-carboxylate hydrolase
• Resolution: 1.58 Å
• Binding residue (original residue number in PDB): Y14 W20 N122 H184
• Binding residue (residue number reindexed from 1): Y14 W20 N122 H184
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.8.1.2: (S)-2-haloacid dehalogenase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0018784 (S)-2-haloacid dehalogenase activity
• GO:0019120 hydrolase activity, acting on acid halide bonds, in C-halide compounds

Biological Process

• GO:0009636 response to toxic substance

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:8ywo, PDBe:8ywo, PDBj:8ywo
• PDBsum: 8ywo
• UniProt: B2Z3V8