Structure of PDB 6f91 Chain A Binding Site BS01

Receptor Information
>6f91 Chain A (length=740) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAQTEKLTDYVNPFVGTDGYGNVYPGAQIPFGGIQISPDTDSRFYDAASG
YKYNHLTLMGFSLTHLSGTGIPDLGDFLFIPGTGEMKLEPGTHEDPDQGY
RSRYSHDKEWASPNYYAVELADYGVKAEMTSGVRSGMFRFTYPESDNAFI
MIDMNHTLWQSCEWSNLRMINDSTITGYKLVKGWGPERHVYFTATFSKKL
TGLRFVQDKKPVIYNTSRFRSSYEAWGKNLMACISFDTKAGEEVTVKTAI
SAVSTDGARNNMKELDGLTFNELRAKGEALWEKELGKYTLTADRKTKETF
YTSAYHAALHPFIFQDSDGQFRGLDKNIEKAEGFTNYTVFSLWDTYRALH
PWFNLVQQEVNADIANSMLAHYDKSVEKMLPIWSFYGNETWCMIGYHAVS
VLADMIVKEVKGFDYERAYEAMKTTAMNSNYDCLPEYREMGYVPFDKEAE
SVSKTLEYAYDDYCIAQAAKKLGKEDDYHYFLNRALSYQTLIDPETKYMR
GRDSKGDWRTPFTPVAYWGDITEGFTMQYTWYVPQDVQGYINEAGKELFR
KRLDELFTVELQGRIGAYWHGNEPCHHVAYLYNYLKEPWKCQKWIRTIVD
RFYGNTPDALSGNDDCGQMSAWYMFNCIGFYPVAPSSNIYNIGSPCAEAI
TVRMSNGKNIEMTADNWSPKNLYVKELYVNGKKYDKSYLTYDDIRDGVKL
RFVMSGKPNYKRAVSDEAVPPSISLPEKTMKYKSSIGFLE
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 chain6f91 Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6f91 Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G589 E591 D633
Binding residue
(residue number reindexed from 1)		G571 E573 D615
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000224 peptide-N4-(N-acetyl-beta-glucosaminyl)asparagine amidase activity
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006516 glycoprotein catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6f91, PDBe:6f91, PDBj:6f91
PDBsum6f91
PubMed29717710
UniProtQ8A0Q6

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