Structure of PDB 4a6g Chain B Binding Site BS01

Receptor Information
>4a6g Chain B (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
AIKLGAVQIVNIKPGRVGGYLEARRVHDVCAAHGIPVWCGDMIETGLGRA
ANVALASLPNFTLPGDTSASDRYYKTDITEPFVLSGGHLPVPTGPGLGVA
PIPELLDEVTTAKVWIG
Ligand information
Ligand IDAME
InChIInChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKeyXUYPXLNMDZIRQH-LURJTMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC(CCSC)C(=O)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCSC)C(=O)O
ACDLabs 10.04O=C(NC(C(=O)O)CCSC)C
CACTVS 3.341CSCC[C@H](NC(C)=O)C(O)=O
CACTVS 3.341CSCC[CH](NC(C)=O)C(O)=O
FormulaC7 H13 N O3 S
NameN-ACETYLMETHIONINE
ChEMBL
DrugBankDB01646
ZINCZINC000001529501
PDB chain4a6g Chain B Residue 1368 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4a6g An Improved Racemase/Acylase Biotransformation for the Preparation of Enantiomerically Pure Amino Acids.
Resolution2.71 Å
Binding residue
(original residue number in PDB)		F19 S135 K161 K163 D189 N191 D239 K263 D291 I293
Binding residue
(residue number reindexed from 1)		F19 S135 K161 K163 D189 N191 D239 K263 D291 I293
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) F19 S135 K161 K163 D189 N191 E214 D239 E240 S241 K263 G290 D291 M292 G315 D316 T317
Catalytic site (residue number reindexed from 1) F19 S135 K161 K163 D189 N191 E214 D239 E240 S241 K263 G290 D291 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:4a6g, PDBe:4a6g, PDBj:4a6g
PDBsum4a6g
PubMed23130969
UniProtQ44244|NSAR_AMYSP N-succinylamino acid racemase (Gene Name=Aaar)

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