Structure of PDB 1tkk Chain C Binding Site BS02

Receptor Information
>1tkk Chain C (length=359) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIIRIETSRIAVPLTKPFKTALRTVYTAESVIVRITYDSGAVGWGEAPP
TLVITGDSMDSIESAIHHVLKPALLGKSLAGYEAILHDIQHLLTGNMSAK
AAVEMALYDGWAQMCGLPLYQMLGGYRDTLETDYTVSVNSPEEMAADAEN
YLKQGFQTLKIKVGKDDIATDIARIQEIRKRVGSAVKLRLDANQGWRPKE
AVTAIRKMEDAGLGIELVEQPVHKDDLAGLKKVTDATDTPIMADESVFTP
RQAFEVLQTRSADLINIKLMKAGGISGAEKINAMAEACGVECMVGSMIET
KLGITAAAHFAASKRNITRFDFDAPLMLKTDVFNGGITYSGSTISMPGKP
GLGIIGAAL
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain1tkk Chain C Residue 2474 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tkk Evolution of Enzymatic Activities in the Enolase Superfamily: Structure of a Substrate-Liganded Complex of the l-Ala-d/l-Glu Epimerase from Bacillus subtilis(,).
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K160 K162 D321 D323
Binding residue
(residue number reindexed from 1)		K160 K162 D321 D323
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) F19 P50 V53 T135 K160 K162 L190 D191 A192 N193 E219 D244 E245 S246 N266 K268 G295 S296 M297 F320 D321 F322
Catalytic site (residue number reindexed from 1) F19 P50 V53 T135 K160 K162 L190 D191 A192 N193 E219 D244 E245 S246 N266 K268 G295 S296 M297 F320 D321 F322
Enzyme Commision number 5.1.1.20: L-Ala-D/L-Glu epimerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0016854 racemase and epimerase activity
GO:0016855 racemase and epimerase activity, acting on amino acids and derivatives
GO:0046872 metal ion binding
GO:0103031 L-Ala-D/L-Glu epimerase activity
Biological Process
GO:0016998 cell wall macromolecule catabolic process
GO:0071555 cell wall organization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tkk, PDBe:1tkk, PDBj:1tkk
PDBsum1tkk
PubMed15301535
UniProtO34508|AEEP_BACSU L-Ala-D/L-Glu epimerase (Gene Name=ykfB)

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