Structure of PDB 4oma Chain A Binding Site BS01

Receptor Information
>4oma Chain A (length=396) Species: 546 (Citrobacter freundii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDCRTYGFNTQIVHAGQQPDPSTGALSTPIFQTSTFVFDSAEQGAARFAL
EESGYIYTRLGNPTTDALEKKLAVLERGEAGLATASGISAITTTLLTLCQ
QGDHIVSASAIYGCTHAFLSHSMPKFGINVSFVDAAKPEEIRAAMRPETK
VVYIETPANPTLSLVDIETVAGIAHQQGALLVVDNTFMSPYCQQPLQLGA
DIVVHSVTKYINGHGDVIGGIIVGKQEFIDQARFVGLKDITGGCMSPFNA
WLTLRGVKTLGIRMERHCENALKIARFLEGHPSITRVYYPGLSSHPQYEL
GQRQMSLPGGIISFEIAGGLEAGRRMINSVELCLLAVSLGDTETLIQHPA
SMTHSPVAPEERLKAGITDGLIRLSVGLEDPEDIINDLEHAIRKAT
Ligand information
Ligand IDLCS
InChIInChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/b13-9+
InChIKeyKFCQHWOGBVCKHR-UKTHLTGXSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON2
OpenEye OEToolkits 1.7.2Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CONC2=O)O
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O
OpenEye OEToolkits 1.7.2Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O
FormulaC11 H14 N3 O7 P
Name[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
ChEMBL
DrugBankDB03787
ZINCZINC000103548283
PDB chain4oma Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4oma Pre-steady-state Kinetic and Structural Analysis of Interaction of Methionine gamma-Lyase from Citrobacter freundii with Inhibitors.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		G88 I89 Y113 D185 S207 T209 K210 V338 S339 R374
Binding residue
(residue number reindexed from 1)		G87 I88 Y112 D184 S206 T208 K209 V337 S338 R373
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.17,Ki=68uM
Enzymatic activity
Catalytic site (original residue number in PDB) R60 Y113 D185 K210
Catalytic site (residue number reindexed from 1) R59 Y112 D184 K209
Enzyme Commision number 4.4.1.11: methionine gamma-lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016846 carbon-sulfur lyase activity
GO:0018826 methionine gamma-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:4oma, PDBe:4oma, PDBj:4oma
PDBsum4oma
PubMed25398880
UniProtQ84AR1

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