Structure of PDB 6lgo Chain C Binding Site BS01

Receptor Information
>6lgo Chain C (length=387) 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
AAAGISDGLLRLSIGIESAEDLLIDLRAGLSRAEATL
Ligand information
Ligand IDEBO
InChIInChI=1S/C16H24N3O8PS/c1-9-14(20)11(10(6-18-9)8-28(25,26)27)7-19-13(16(23)24)3-5-29-4-2-12(17)15(21)22/h6-7,12-13,20H,2-5,8,17H2,1H3,(H,21,22)(H,23,24)(H2,25,26,27)/b19-7+/t12-,13-/m0/s1
InChIKeyQGHPUHOZHNBFHZ-VNBISDOUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)CP(=O)(O)O)/C=N/[C@@H](CCSCC[C@@H](C(=O)O)N)C(=O)O)O
CACTVS 3.385Cc1ncc(C[P](O)(O)=O)c(C=N[CH](CCSCC[CH](N)C(O)=O)C(O)=O)c1O
CACTVS 3.385Cc1ncc(C[P](O)(O)=O)c(C=N[C@@H](CCSCC[C@H](N)C(O)=O)C(O)=O)c1O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)CP(=O)(O)O)C=NC(CCSCCC(C(=O)O)N)C(=O)O)O
FormulaC16 H24 N3 O8 P S
Name(2~{S})-2-azanyl-4-[(3~{S})-3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain6lgo Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6lgo Crystal structure of cystathionine gamma synthase from Xanthomonas oryzae pv. oryzae in complex with homolanthionine
Resolution2.39 Å
Binding residue
(original residue number in PDB)		G84 M85 Y109 R114 N156 D181 S203 K206 E333 S334 T349 R369
Binding residue
(residue number reindexed from 1)		G76 M77 Y101 R106 N148 D173 S195 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:6lgo, PDBe:6lgo, PDBj:6lgo
PDBsum6lgo
PubMed
UniProtQ5H1U9

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