Structure of PDB 3zmr Chain B Binding Site BS02

Receptor Information
>3zmr Chain B (length=462) Species: 28116 (Bacteroides ovatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLEVAQEYRNLEFDARGSRQTIQIDGPAEWHISTSESWCKSSHTIGEGKQ
YVNITVEANDTQKERTATVTVSASGAPDIIINVKQSLYSVPAYDEYIAPD
NTGMRDLTSMQLSALMKAGVNVGNTFEAVIVGNDGSLSGDETCWGNPTPN
KVLFEGIKAAGFDVVRIPVAYSHQFEDAATYKIKSAWMDKVEAAVKAALD
AGLYVIINIHWEGGWLNHPVDANKEALDERLEAMWKQIALRFRDYDDRLL
FAGTNEVNNDDANGAQPTEENYRVQNGFNQVFVNTVRATGGRNHYRHLIV
QAYNTDVAKAVAHFTMPLDIVQNRIFLECHYYDPYDFTIMPNDENFKSQW
GAAFAGGDVSATGQEGDIEATLSSLNVFINNNVPVIIGEYGPTLRDQLTG
EALENHLKSRNDYIEYVVKTCVKNKLVPLYWDAGYTEKLFDRTTGQPHNA
ASIAAIMKGLNL
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3zmr Chain D Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3zmr A Discrete Genetic Locus Confers Xyloglucan Metabolism in Select Human Gut Bacteroidetes
Resolution1.43 Å
Binding residue
(original residue number in PDB)		N165 W472
Binding residue
(residue number reindexed from 1)		N124 W431
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:0008422 beta-glucosidase 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:0009251 glucan catabolic process
GO:0085030 symbiotic process benefiting host
GO:2000899 xyloglucan catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0009279 cell outer membrane
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3zmr, PDBe:3zmr, PDBj:3zmr
PDBsum3zmr
PubMed24463512
UniProtA7LXT7|BGH5A_BACO1 Xyloglucan-specific endo-beta-1,4-glucanase BoGH5A (Gene Name=BACOVA_02653)

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