Structure of PDB 4uy5 Chain A Binding Site BS01

Receptor Information
>4uy5 Chain A (length=326) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLSLANYLAADSAAEALRRDVRAGLTAAPKSLPPKWFYDAVGSDLFDQIT
RLPEYYPTRTEAQILRTRSAEIIAAAGADTLVELGSGTSEKTRMLLDAMR
DAELLRRFIPFDVDAGVLRSAGAAIGAEYPGIEIDAVCGDFEEHLGKIPH
VGRRLVVFLGSTIGNLTPAPRAEFLSTLADTLQPGDSLLLGTDLVKDTGR
LVRAYDDAAGVTAAFNRNVLAVVNRELSADFDLDAFEHVAKWNSDEERIE
MWLRARTAQHVRVAALDLEVDFAAGEEMLTEVSCKFRPENVVAELAEAGL
RQTHWWTDPAGDFGLSLAVRLEHHHH
Ligand information
Ligand IDIMD
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
InChIKeyRAXXELZNTBOGNW-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1cc[nH+]c1
ACDLabs 10.04c1c[nH+]cn1
OpenEye OEToolkits 1.5.0c1c[nH+]c[nH]1
FormulaC3 H5 N2
NameIMIDAZOLE
ChEMBL
DrugBank
ZINC
PDB chain4uy5 Chain A Residue 1328 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uy5 Structural Insights Into the Histidine Trimethylation Activity of Egtd from Mycobacterium Smegmatis.
Resolution1.997 Å
Binding residue
(original residue number in PDB)		F47 Y206 F216 E282
Binding residue
(residue number reindexed from 1)		F46 Y205 F215 E281
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.44: L-histidine N(alpha)-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008276 protein methyltransferase activity
GO:0052706 L-histidine N(alpha)-methyltransferase activity
Biological Process
GO:0032259 methylation
GO:0052699 ergothioneine biosynthetic process
GO:0052704 ergothioneine biosynthesis from histidine via gamma-glutamyl-hercynylcysteine sulfoxide

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4uy5, PDBe:4uy5, PDBj:4uy5
PDBsum4uy5
PubMed25251321
UniProtA0R5M8|EGTD_MYCS2 Histidine N-alpha-methyltransferase (Gene Name=egtD)

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