Structure of PDB 4pa5 Chain A Binding Site BS01

Receptor Information
>4pa5 Chain A (length=242) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIIVSGQLLRPQNWQIDQDLNPLLKEMIETPVQFDYHSIAELMFELKLRM
NIVAAAKTLHKSGAKFATFLKTYGNTTYWRVSPEGALELKYRMPPSKAIR
DIAENGPFYAFECATAIVIIYYLALIDTIGEDKFNASFDRIILYDWHYEK
LPIYTETGHHFFLGDCLYFKNPEFDPQKAQWRGENVILLGEDKYFAHGLG
ILNGKQIIDKLNSFRKKGALQSAYLLSQATRLDVPSLFRIVR
Ligand information
Ligand IDDHL
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04SCCN
OpenEye OEToolkits 1.5.0C(CS)N
CACTVS 3.341NCCS
FormulaC2 H7 N S
Name2-AMINO-ETHANETHIOL;
2,3-DESHYDROLANTHIONINE
ChEMBLCHEMBL602
DrugBankDB00847
ZINCZINC000008034121
PDB chain4pa5 Chain A Residue 2006 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pa5 Structural and Functional Characterization of an Ancient Bacterial Transglutaminase Sheds Light on the Minimal Requirements for Protein Cross-Linking.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		F69 E115 C116 Q183 G186
Binding residue
(residue number reindexed from 1)		F66 E112 C113 Q180 G183
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.13: protein-glutamine gamma-glutamyltransferase.
Gene Ontology
Molecular Function
GO:0003810 protein-glutamine gamma-glutamyltransferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0030435 sporulation resulting in formation of a cellular spore

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Molecular Function
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Biological Process
External links
PDB RCSB:4pa5, PDBe:4pa5, PDBj:4pa5
PDBsum4pa5
PubMed26322858
UniProtP40746|TGL_BACSU Protein-glutamine gamma-glutamyltransferase (Gene Name=tgl)

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