Structure of PDB 8sad Chain A Binding Site BS02

Receptor Information

>8sad Chain A (length=398) Species: 1028307 (Klebsiella aerogenes KCTC 2190)

HHHMADKHLDTALVNAGRRKKYTQGSVNSVIQRASSLVFDTVEAKKHATR
NRAKGELFYGRRGTLTHFSLQEAMCELEGGAGCALFPCGAAAVANTILAF
VEQGDHVLMTNTAYEPSQDFCTKILAKLGVTTGWFDPLIGADIANLIQPN
TKVVFLESPGSITMEVHDVPAIVAAVRRVAPEAIIMIDNTWAAGVLFKAL
DFGIDISIQAATKYLIGHSDGMIGTAVANARCWEQLCENAYLMGQMIDAD
TAYMTSRGLRTLGVRLRQHHESSLRVAEWLAQHPQVARVNHPALPGSKGH
EFWKRDFSGSSGLFSFVLNKRLTDAELAAYLDNFSLFSMAYSWGGFESLI
LANQPEHIAAIRPEAEVDFSGTLIRLHIGLENVDDLLADLAAGFARIV

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 8sad Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8sad Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP/Malonate complex (C2 form)
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): A356 R359 A362
• Binding residue (residue number reindexed from 1): A359 R362 A365
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.4.1.8: Transferred entry: 4.4.1.13.

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0030170 pyridoxal phosphate binding
• GO:0046872 metal ion binding
• GO:0047804 cysteine-S-conjugate beta-lyase activity

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0019346 transsulfuration
• GO:0019450 L-cysteine catabolic process to pyruvate

External links

• PDB: RCSB:8sad, PDBe:8sad, PDBj:8sad
• PDBsum: 8sad
• UniProt: A0A0H3FMF8