Structure of PDB 7d7o Chain B Binding Site BS02

Receptor Information
>7d7o Chain B (length=377) Species: 226900 (Bacillus cereus ATCC 14579) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRAKTKLIHGIRIGEPSTGSVNVPIYQTSTYKQEAVGKHQGYEYSRTGNP
TRAALEEMIAVLENGHAGFAFGSGMAAITATIMLFSKGDHVILTDDVYGG
TYRVITKVLNRFGIEHTFVDTTNLEEVEEAIRPNTKAIYVETPTNPLLKI
TDIKKISTLAKEKDLLTIIDNTFMTPYWQSPISLGADIVLHSATKYLGGH
SDVVAGLVVVNSPQLAEDLHFVQNSTGGILGPQDSFLLLRGLKTLGIRME
EHETNSRAIAEFLNNHPKVNKVYYPGLESHQNHELATEQANGFGAIISFD
VDSEETLNKVLEKLQYFTLAESLGAVESLISIPSQMTHASIPADRRKELG
ITDTLIRISVGIEDGEDLIEDLAQALA
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 chain7d7o Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7d7o Structural and Functional Characterization of Cystathionine gamma-lyase from Bacillus cereus ATCC 14579.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		G74 M75 Y98 D170 T172 S192 T194 K195
Binding residue
(residue number reindexed from 1)		G74 M75 Y98 D170 T172 S192 T194 K195
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.8: Transferred entry: 4.4.1.13.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003962 cystathionine gamma-synthase activity
GO:0004123 cystathionine gamma-lyase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0019343 cysteine biosynthetic process via cystathionine
GO:0019346 transsulfuration
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7d7o, PDBe:7d7o, PDBj:7d7o
PDBsum7d7o
PubMed33301683
UniProtQ818A3

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