Structure of PDB 8if8 Chain B Binding Site BS01

Receptor Information
>8if8 Chain B (length=620) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARAREVLVALGQLAAAVVVAVGVAVVSLLAIARVEWPAFPSSNQLHALTT
VGQVGCLAGLVGIGWLWRHGRFRRLARLGGLVLVSAFTVVTLGMPLGATK
LYLFGISVDQQFRTEYLTRLTDTAALRDMTYIGLPPFYPPGWFWIGGRAA
ALTGTPAWEMFKPWAITSMAIAVAVALVLWWRMIRFEYALLVTVATAAVM
LAYSSPEPYAAMITVLLPPMLVLTWSGLGARDRQGWAAVVGAGVFLGFAA
TWYTLLVAYGAFTVVLMALLLAGSRLQSGIKAAVDPLCRLAVVGAIAAAI
GSTTWLPYLLRAARDPVSDTGSAQHYLPADGAALTFPMLQFSLLGAICLL
GTLWLVMRARSSAPAGALAIGVLAVYLWSLLSMLATLARTTLLSFRLQPT
LSVLLVAAGAFGFVEAVQALGKRGRGVIPMAAAIGLAGAIAFSQDIPDVL
RPDLTIAYTDTDGYGQRGDRRPPGSEKYYPAIDAAIRRVTGKRRDRTVVL
TADYSFLSYYPYWGFQGLTPHYANPLAQFDKRATQIDSWSGLSTADEFIA
ALDKLPWQPPTVFLMRHGAHNSYTLRLAQDVYPNQPNVRRYTVDLRTALF
ADPRFVVEDIGPFVLAIRKP
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 B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		E115 Y504 L518
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

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

[Back to BioLiP]