Structure of PDB 6ldo Chain E Binding Site BS01

Receptor Information
>6ldo Chain E (length=381) Species: 1590 (Lactiplantibacillus plantarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFETQLIHGGISEDATTGATSVPIYMASTFRQTKIGQNQYEYSRTGNPT
RAAVEALIATLEHGSAGFAFASGSAAINTVFSLFSAGDHIIVGNDVYGGT
FRLIDAVLKHFGMTFTAVDTRDLAAVEAAITPTTKAIYLETPTNPLLHIT
DIAAIAKLAQAHDLLSIIDNTFASPYVQKPLDLGVDIVLHSASAYLGGHS
DVIGGLVVTKTPALGEKIGYLQNAIGSILAPQESWLLQRGMKTLALRMQA
HLNNAAKIFTYLKSHPAVTKIYYPGDPDNPDFSIAKQQMNGFGAMISFEL
QPGMNPQTFVEHLQVITLAESLGALESLIEIPALMTHGAIPRTIRLQNGI
KDELIRLSVGVEASDDLLADLERGFASIQAD
Ligand information
Ligand IDKOU
InChIInChI=1S/C11H15N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,9,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/b13-3+/t9-/m0/s1
InChIKeyZTQZHYMXYBDMIL-BIMOUXMDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CO)C(O)=O)c1O
OpenEye OEToolkits 1.7.0Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O
OpenEye OEToolkits 1.7.0Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CO)C(=O)O)O
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CO)C(O)=O)c1O
ACDLabs 12.01O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CO
FormulaC11 H15 N2 O8 P
Name(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine
ChEMBL
DrugBank
ZINCZINC000058650511
PDB chain6ldo Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ldo Catalytic specificity of the Lactobacillus plantarum cystathionine gamma-lyase presumed by the crystallographic analysis.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		S72 G73 S74 Y97 E140 N144 D169 S191 S193 S321 L322 T336 R356
Binding residue
(residue number reindexed from 1)		S72 G73 S74 Y97 E140 N144 D169 S191 S193 S321 L322 T336 R356
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.1: cystathionine gamma-lyase.
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:0016846 carbon-sulfur lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0044540 L-cystine L-cysteine-lyase (deaminating)
GO:0080146 L-cysteine desulfhydrase activity
Biological Process
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:6ldo, PDBe:6ldo, PDBj:6ldo
PDBsum6ldo
PubMed32913258
UniProtF9UT53

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