Structure of PDB 2hbv Chain B Binding Site BS01

Receptor Information

>2hbv Chain B (length=330) Species: 294 (Pseudomonas fluorescens)

PRIDMHSHFFPRISEQEAAKFDANHAPWLQVSAKGDTGSIMMGKNNFRPV
YQALWDPAFRIEEMDAQGVDVQVTCATPVMFGYTWEANKAAQWAERMNDF
ALEFAAHNPQRIKVLAQVPLQDLDLACKEASRAVAAGHLGIQIGNHLGDK
DLDDATLEAFLTHCANEDIPILVHPWDMMGGQRMKKWMLPWLVAMPAETQ
LAILSLILSGAFERIPKSLKICFGHGGGSFAFLLGRVDNAWRHRDIVRED
CPRPPSEYVDRFFVDSAVFNPGALELLVSVMGEDRVMLGSDYPFPLGEQK
IGGLVLSSNLGESAKDKIISGNASKFFNIN

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2hbv Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2hbv Crystal Structure of alpha-Amino-beta-carboxymuconate-epsilon-semialdehyde Decarboxylase: Insight into the Active Site and Catalytic Mechanism of a Novel Decarboxylation Reaction.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): H9 H11 D294
• Binding residue (residue number reindexed from 1): H6 H8 D291
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.1.45: aminocarboxymuconate-semialdehyde decarboxylase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016829 lyase activity
• GO:0016831 carboxy-lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0019748 secondary metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2hbv, PDBe:2hbv, PDBj:2hbv
• PDBsum: 2hbv
• PubMed: 16939194
• UniProt: Q83V25