Structure of PDB 4hdr Chain A Binding Site BS01

Receptor Information
>4hdr Chain A (length=335) Species: 2378 (Sporomusa ovata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLLQATVAKIMRPDTVIKDQVKTKLAGVLQSAGSLGRLEDMVEQYAGIT
GELNPALPKPCMVVASADHGVARRVVSAYPIETTIHMTANYLISQGASAN
AFANFCGADMVVVDMGVAGDLSYVPGLWHRKIAYGTQDFTEGPAMTREQA
IQAVETGIDIVNDRVKHGNRCFCLGEMGIGNTTSSATIVGAFTGLAPEKV
TGRGTGRLKTKMEIVGRALAVNKPNPQDGLDVLAKVGGFELGALAGVILG
SAANRCAVVIDGLNTTAAALIANVIHPLSKEYMFASHLSGEPAHSIALRQ
LQLEACLELGVRLGEGIGASMVVDMLYVAIKLLNN
Ligand information
Ligand IDDMD
InChIInChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
InChIKeyLJUQGASMPRMWIW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n2c1cc(c(cc1nc2)C)C
CACTVS 3.341Cc1cc2[nH]cnc2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)nc[nH]2
FormulaC9 H10 N2
Name5,6-DIMETHYLBENZIMIDAZOLE
ChEMBLCHEMBL351132
DrugBankDB02591
ZINCZINC000000388593
PDB chain4hdr Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hdr Structural Insights into the Function of the Nicotinate Mononucleotide:phenol/p-cresol Phosphoribosyltransferase (ArsAB) Enzyme from Sporomusa ovata.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		Y79 T83 M87 M177 L317
Binding residue
(residue number reindexed from 1)		Y79 T83 M87 M177 L313
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E176 E319
Catalytic site (residue number reindexed from 1) E176 E315
Enzyme Commision number 2.4.2.21: nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0008939 nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0009236 cobalamin biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4hdr, PDBe:4hdr, PDBj:4hdr
PDBsum4hdr
PubMed23039029
UniProtF6MZ55

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