Structure of PDB 3jwa Chain A Binding Site BS01

Receptor Information
>3jwa 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 IDMPJ
InChIInChI=1S/C4H12NO2PS/c1-9-3-2-4(5)8(6)7/h4,8H,2-3,5H2,1H3,(H,6,7)/t4-/m1/s1
InChIKeyCZRBNMUARBZMHQ-SCSAIBSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCCC(N)P(=O)O
OpenEye OEToolkits 1.5.0CSCC[C@H](N)[P@H](=O)O
ACDLabs 10.04O=P(O)C(N)CCSC
CACTVS 3.341CSCC[CH](N)[PH](O)=O
CACTVS 3.341CSCC[C@H](N)[P@@H](O)=O
FormulaC4 H12 N O2 P S
Name(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID;
METHIONINE PHOSPHINATE
ChEMBL
DrugBankDB04015
ZINCZINC000029326788
PDB chain3jwa Chain A Residue 399 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3jwa Three-dimensional structures of noncovalent complexes of Citrobacter freundii methionine gamma-lyase with substrates.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		Y113 X210 V338 S339 R374
Binding residue
(residue number reindexed from 1)		Y112 X209 V337 S338 R373
Annotation score2
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:3jwa, PDBe:3jwa, PDBj:3jwa
PDBsum3jwa
PubMed21639836
UniProtQ84AR1

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