Structure of PDB 6ld8 Chain D Binding Site BS01

Receptor Information
>6ld8 Chain D (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 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
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		Y54 R56
Binding residue
(residue number reindexed from 1)		Y46 R48
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ld8, PDBe:6ld8, PDBj:6ld8
PDBsum6ld8
PubMed
UniProtQ5H1U9

[Back to BioLiP]