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BioLiP

Structure of PDB 8sab Chain A Binding Site BS03

Receptor Information
>8sab Chain A (length=392) Species: 1028307 (Klebsiella aerogenes KCTC 2190) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHLDTALVNAGRRKKYTQGSVNSVIQRASSLVFDTVEAKKHATRNRAKGE
LFYGRRGTLTHFSLQEAMCELEGGAGCALFPCGAAAVANTILAFVEQGDH
VLMTNTAYEPSQDFCTKILAKLGVTTGWFDPLIGADIANLIQPNTKVVFL
ESPGSITMEVHDVPAIVAAVRRVAPEAIIMIDNTWAAGVLFKALDFGIDI
SIQAATKYLIGHSDGMIGTAVANARCWEQLCENAYLMGQMIDADTAYMTS
RGLRTLGVRLRQHHESSLRVAEWLAQHPQVARVNHPALPGSKGHEFWKRD
FSGSSGLFSFVLNKRLTDAELAAYLDNFSLFSMAYSWGGFESLILANQPE
HIAAIRPEAEVDFSGTLIRLHIGLENVDDLLADLAAGFARIV
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain8sab Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8sab Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP adduct with Alanine (C2 form)
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C85 G86 A87 Y111 D185 A207 T209 K210 M219 W340
Binding residue
(residue number reindexed from 1)		C82 G83 A84 Y108 D182 A204 T206 K207 M216 W337
Annotation score1
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

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