Structure of PDB 8if8 Chain C Binding Site BS01

Receptor Information
>8if8 Chain C (length=598) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAREVLVALGQLAAAVVVAVGVAVVSLLAIARVEWPAFPSSNQLHALTTV
GQVGCLAGLVGIGWLWRHGRFRRLARLGGLVLVSAFTVVTLGMPLGATKL
YLFGISVDQQFRTEYLTRLTDTAALRDMTYIGLPPFYPPGWFWIGGRAAA
LTGTPAWEMFKPWAITSMAIAVAVALVLWWRMIRFEYALLVTVATAAVML
AYSSPEPYAAMITVLLPPMLVLTWSGLGARDRQGWAAVVGAGVFLGFAAT
WYTLLVAYGAFTVVLMALLLAGSRLQSGIKAAVDPLCRLAVVGAIAAAIG
STTWLPYLLRAARDPVSDTAALTFPMLQFSLLGAICLLGTLWLVMRARSS
APAGALAIGVLAVYLWSLLSMLATLARTTLLSFRLQPTLSVLLVAAGAFG
FVEAVQALGKRGRGVIPMAAAIGLAGAIAFSQDIPDVLRPDLTIAYTDTD
GYGQRGDRRPPGSEKYYPAIDAAIRRVTGKRRDRTVVLTADYSFLSYYPY
WGFQGLTPHYANPLAQFDKRATQIDSWSGLSTADEFIAALDKLPWQPPTV
FLMRHGAHNSYTLRLAQRYTVDLRTALFADPRFVVEDIGPFVLAIRKP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8if8 Chain C Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8if8 Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		E134 Y523 L537
Binding residue
(residue number reindexed from 1)		E114 Y492 L506
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.2.46: galactan 5-O-arabinofuranosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0035250 UDP-galactosyltransferase activity
Biological Process
GO:0044038 cell wall macromolecule biosynthetic process
GO:0045227 capsule polysaccharide biosynthetic process
GO:0071555 cell wall organization
GO:0071769 mycolate cell wall layer assembly
Cellular Component
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8if8, PDBe:8if8, PDBj:8if8
PDBsum8if8
PubMed37252995
UniProtP9WN03|AFTA_MYCTU Galactan 5-O-arabinofuranosyltransferase (Gene Name=aftA)

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