Structure of PDB 3zmr Chain A Binding Site BS01

Receptor Information
>3zmr Chain A (length=469) 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
ASIAAIMKGLNLEHHHHHH
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 C Residue 1 [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)		H251 N296 E297 E430 W472
Binding residue
(residue number reindexed from 1)		H210 N255 E256 E389 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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