Structure of PDB 6ld8 Chain A Binding Site BS01

Receptor Information
>6ld8 Chain A (length=388) Species: 291331 (Xanthomonas oryzae pv. oryzae KACC 10331) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPCTAATAAVRAGIDRDTAYGAVTPPIVLSSNFSFDGFGNKRQYDYTRSG
NPTRDLLGEALAELEGGAGGVITSTGMGAINLVLNAVLQPGDTLVVPHDA
YGGSWRLFNALAKKGHFALITADLTVPRSLADALAQSPKLVLIETPSNPL
LRITDLRFVIEAAKKVGALTVVDNTFLSPALQKPLDFGADLVLHSTTKYI
NGHSDVVGGAVVARDAELHQQLVWWANALGLTGSPFDAFLTLRGLRTLDA
RLRVHQENADAIAELLDGHAMVNQVYFPGLATHPGHALAARQQKGFGAMM
SFELEGGEAAVRAFVDGLRYFTLAESLGGVESLIAHPASMTHAAMTAEAR
AAAGISDGLLRLSIGIESAEDLLIDLRAGLSRAEATLT
Ligand information
Ligand ID0JO
InChIInChI=1S/C11H13N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,14H,2,5H2,1H3,(H,15,16)(H2,17,18,19)/b13-4+
InChIKeyBHIGINKEEFZJGX-YIXHJXPBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(=C)C(=O)O)C
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(C=NC(=C)C(O)=O)c1O
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(=C)C(=O)O)O
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O
FormulaC11 H13 N2 O7 P
Name2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid
ChEMBL
DrugBank
ZINCZINC000098207815
PDB chain6ld8 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ld8 Crystal structure of cystathionine gamma synthase from Xanthomonas oryzae pv. oryzae in complex with aminoacrylate and cysteine
Resolution2.31 Å
Binding residue
(original residue number in PDB)		G84 M85 Y109 N156 D181 S203 T205 K206 S334 T349 R369
Binding residue
(residue number reindexed from 1)		G76 M77 Y101 N148 D173 S195 T197 K198 S326 T341 R361
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003962 cystathionine gamma-synthase activity
GO:0016846 carbon-sulfur lyase activity
GO:0030170 pyridoxal phosphate binding
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:6ld8, PDBe:6ld8, PDBj:6ld8
PDBsum6ld8
PubMed
UniProtQ5H1U9

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