Structure of PDB 6ld9 Chain C Binding Site BS01

Receptor Information
>6ld9 Chain C (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
YGGSWRLFNALAKKGHFALITADLTDPRSLADALAQSPKLVLIETPSNPL
LRITDLRFVIEAAKKVGALTVVDNTFLSPALQKPLDFGADLVLHSTTKYI
NGHSDVVGGAVVARDAELHQQLVWWANALGLTGSPFDAFLTLRGLRTLDA
RLRVHQENADAIAELLDGHAMVNQVYFPGLATHPGHALAARQQKGFGAMM
SFELEGGEAAVRAFVDGLRYFTLAESLGGVESLIAHPASMTHAAMTAEAR
AAAGISDGLLRLSIGIESAEDLLIDLRAGLSRAEATLT
Ligand information
Ligand IDE9U
InChIInChI=1S/C15H22N3O9PS/c1-8-13(19)10(9(4-17-8)6-27-28(24,25)26)5-18-12(15(22)23)2-3-29-7-11(16)14(20)21/h4-5,11-12,19H,2-3,6-7,16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/b18-5+/t11-,12-/m0/s1
InChIKeyBNRWEPGYMATFEB-QIDXEYLZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC[C@@H](C(=O)O)N)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O)c1O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCSCC(C(=O)O)N)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCSC[CH](N)C(O)=O)C(O)=O)c1O
FormulaC15 H22 N3 O9 P S
Name(2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain6ld9 Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ld9 Crystal structure of cystathionine gamma synthase from Xanthomonas oryzae pv. oryzae in complex with cystathionine
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G84 M85 Y109 R114 N156 D181 S203 T205 K206 E333 S334 T349 R369
Binding residue
(residue number reindexed from 1)		G76 M77 Y101 R106 N148 D173 S195 T197 K198 E325 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:6ld9, PDBe:6ld9, PDBj:6ld9
PDBsum6ld9
PubMed
UniProtQ5H1U9

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