Structure of PDB 4iy7 Chain B Binding Site BS05

Receptor Information
>4iy7 Chain B (length=381) 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]
ALSLATLAIHGGQSPDPSTGAVMPPIYATSTYAQSSPGEHQGFEYSRTHN
PTRFAYERCVAALEGGTRAFAFASGMAATSTVMELLDAGSHVVAMDDLYG
GTFRLFERVRRRTAGLDFSFVDLTDPAAFKAAIRADTKMVWIETPTNPML
KLVDIAAIAVIARKHGLLTVVDNTFASPMLQRPLSLGADLVVHSATKYLN
GHSDMVGGIAVVGDNAELAEQMAFLQNSIGGVQGPFDSFLALRGLKTLPL
RMRAHCENALALAQWLETHPAIEKVIYPGLASHPQHVLAKRQMSGFGGIV
SIVLKGGFDAAKRFCEKTELFTLAESLGGVESLVNHPAVMTHASIPVARR
EQLGISDALVRLSVGIEDLGDLRGDLERALV
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 chain4iy7 Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iy7 PLP undergoes conformational changes during the course of an enzymatic reaction.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G88 M89 Y112 E156 N160 D185 S207 K210 S339 L340 T354 R374
Binding residue
(residue number reindexed from 1)		G75 M76 Y99 E143 N147 D172 S194 K197 S326 L327 T341 R361
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R60 Y112 D185 K210
Catalytic site (residue number reindexed from 1) R47 Y99 D172 K197
Enzyme Commision number 4.4.1.1: cystathionine gamma-lyase.
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:4iy7, PDBe:4iy7, PDBj:4iy7
PDBsum4iy7
PubMed24531493
UniProtQ5H4T8

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