Structure of PDB 8sab Chain A Binding Site BS04

Receptor Information

>8sab Chain A (length=392) Species: 1028307 (Klebsiella aerogenes KCTC 2190)

KHLDTALVNAGRRKKYTQGSVNSVIQRASSLVFDTVEAKKHATRNRAKGE
LFYGRRGTLTHFSLQEAMCELEGGAGCALFPCGAAAVANTILAFVEQGDH
VLMTNTAYEPSQDFCTKILAKLGVTTGWFDPLIGADIANLIQPNTKVVFL
ESPGSITMEVHDVPAIVAAVRRVAPEAIIMIDNTWAAGVLFKALDFGIDI
SIQAATKYLIGHSDGMIGTAVANARCWEQLCENAYLMGQMIDADTAYMTS
RGLRTLGVRLRQHHESSLRVAEWLAQHPQVARVNHPALPGSKGHEFWKRD
FSGSSGLFSFVLNKRLTDAELAAYLDNFSLFSMAYSWGGFESLILANQPE
HIAAIRPEAEVDFSGTLIRLHIGLENVDDLLADLAAGFARIV

Ligand information

• Ligand ID: LYS
• InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
• InChIKey: KDXKERNSBIXSRK-YFKPBYRVSA-O
• SMILES:
  CACTVS 3.341: N[CH](CCCC[NH3+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCC[NH3+]
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])C[C@@H](C(=O)O)N
  CACTVS 3.341: N[C@@H](CCCC[NH3+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])CC(C(=O)O)N
• Formula: C6 H15 N2 O2
• Name: LYSINE
• PDB chain: 8sab Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8sab Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP adduct with Alanine (C2 form)
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): L333 E344
• Binding residue (residue number reindexed from 1): L330 E341
• Annotation score: 2

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:8sab, PDBe:8sab, PDBj:8sab
• PDBsum: 8sab
• UniProt: A0A0H3FMF8