Structure of PDB 6dht Chain A Binding Site BS02

Receptor Information
>6dht Chain A (length=547) Species: 411476 (Bacteroides ovatus ATCC 8483) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPNDAIRLNQLGYYPNQEKIAVVDSGKVEEFVIWDAVSGEQVFVGKSLYT
AKSAWSDKTRTTLDFSAVTTPGKYILKVNGASVTFLIKDSVLSPLADAAL
KSFYYQRTAMPIEEQYAGQWHRMAGHPDNHVLIHPSAASPDRPAGTIVSS
SKGWYDAGDYNKYIVNSGYSIGLMQSIYQLFLDYFSRQKINIPESNNHTP
DLLDEMQFNLDWMLTMQDPEDGGVYHKLTTPFFEGFVKPVDCKQQRYVVQ
KSVTAALDFAAVMAQSSRLFASYEEDYPGFSKRALLAAEKAYAWAEKHPE
AYYNQNLLNQKYQPAIATGEYGDTHADDEFFWAASELYFSTGKEIYREEA
IKKAPQIYTAPGWGNTFALGIFAWLQPGRELNEADRRFADSLKTELLKYA
DKVIEGAEQTPFHAPYGNDAKDFFWGCLAEKCMNQGVSLMYAYLQTGKDV
YLTNAYRNMDYILGRNATGFCYVTGLGTKSPKHPHHRLSASDDIEDPIPG
FLVGGPNPASPDESYVDTEDSYASNEVAINWNAALVALASSLDALAV
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 chain6dht Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6dht A Cell-Surface GH9 Endo-Glucanase Coordinates with Surface Glycan-Binding Proteins to Mediate Xyloglucan Uptake in the Gut Symbiont Bacteroides ovatus.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		E220 S221 N223 T225 D227 D230
Binding residue
(residue number reindexed from 1)		E194 S195 N197 T199 D201 D204
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.151: xyloglucan-specific endo-beta-1,4-glucanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033946 xyloglucan-specific endo-beta-1,4-glucanase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0085030 symbiotic process benefiting host
GO:2000899 xyloglucan catabolic process
Cellular Component
GO:0009279 cell outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6dht, PDBe:6dht, PDBj:6dht
PDBsum6dht
PubMed30668971
UniProtA7LXT3|BGH9A_BACO1 Xyloglucan-specific endo-beta-1,4-glucanase BoGH9A (Gene Name=BACOVA_02649)

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