Structure of PDB 1sjc Chain C Binding Site BS02

Receptor Information
>1sjc Chain C (length=367) Species: 37632 (Amycolatopsis sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLSGVELRRVQMPLVAPFRTSFGTQSVRELLLLRAVTPAGEGWGECVTM
AGPLYSSEYNDGAEHVLRHYLIPALLAAEDITAAKVTPLLAKFKGHRMAK
GALEMAVLDAELRAHERSFAAELGSVRDSVPCGVSVGIMDTIPQLLDVVG
GYLDEGYVRIKLKIEPGWDVEPVRAVRERFGDDVLLQVDANTAYTLGDAP
QLARLDPFGLLLIEQPLEEEDVLGHAELARRIQTPICLDESIVSARAAAD
AIKLGAVQIVNIKPGRVGGYLEARRVHDVCAAHGIPVWCGGMIETGLGRA
ANVALASLPNFTLPGDTSASDRFYKTDITEPFVLSGGHLPVPTGPGLGVA
PIPELLDEVTTAKVWIG
Ligand information
Ligand IDSMG
InChIInChI=1S/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m1/s1
InChIKeyCZFFMUMOBDIXJU-ZCFIWIBFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O
ACDLabs 10.04O=C(NC(C(=O)O)CCSC)CCC(=O)O
CACTVS 3.341CSCC[CH](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)NC(=O)CCC(=O)O
CACTVS 3.341CSCC[C@@H](NC(=O)CCC(O)=O)C(O)=O
FormulaC9 H15 N O5 S
NameN-SUCCINYL METHIONINE
ChEMBL
DrugBankDB04511
ZINCZINC000002043758
PDB chain1sjc Chain C Residue 1200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sjc Evolution of Enzymatic Activity in the Enolase Superfamily: Structural Studies of the Promiscuous o-Succinylbenzoate Synthase from Amycolatopsis
Resolution2.1 Å
Binding residue
(original residue number in PDB)		M50 S135 K163 D189 D239 K263 G291 M292 I293 D316 F323
Binding residue
(residue number reindexed from 1)		M50 S135 K163 D189 D239 K263 G291 M292 I293 D316 F323
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) F19 S135 K161 K163 D189 N191 E214 D239 E240 S241 K263 G290 G291 M292 G315 D316 T317
Catalytic site (residue number reindexed from 1) F19 S135 K161 K163 D189 N191 E214 D239 E240 S241 K263 G290 G291 M292 G315 D316 T317
Enzyme Commision number 4.2.1.113: o-succinylbenzoate synthase.
5.1.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0043748 O-succinylbenzoate synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0009234 menaquinone biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1sjc, PDBe:1sjc, PDBj:1sjc
PDBsum1sjc
PubMed15134446
UniProtQ44244|NSAR_AMYSP N-succinylamino acid racemase (Gene Name=Aaar)

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