Structure of PDB 5xbz Chain B Binding Site BS02

Receptor Information
>5xbz Chain B (length=705) Species: 4839 (Rhizomucor miehei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDDLFVPVSNFDPKSIFPEIKHPFEPMYANTENGKIVPTNSWISNLFYPS
ADNLAPTTPDPYTLRLLDGYGGNPGLTIRQPSAKVLGSYPPTDAGYMINS
VVVDLRLTSSEWSDVVPDRQVTDWDHLSANLRLSTPQDSNSYIDFPIVRG
MAYITANYNNLTPQFLSQHAIISVEADEFSGRKFKITMNDDPTSTFIIYS
LGDKPLELRKQDNSNLVASKPYTGVIRVAKLPAPEFETLLDASRAVWPTG
GDISARSDDNNGASYTIKWKTNSNEAPLLTYAYAHHLTSIDDSNVKRTDM
TLQSATKGPMTALVGNEWTLRETELSPVEWLPLQAAPNPTTINEIMTEIN
KDIASNYTQETAKEDNYFSGKGLQKFAMLALILNKSDQTQLRNPELAQIA
LDKLKAAFLPYLQNEQADPFRYDTLYKGIVAKAGLPTSMGGTDDLSAEFG
HSYYSDHHYHQGYFVVTAAIIHHLDPTWNADRLKAWTEALIRDVNNANDG
DEYFAAFRNWDWFAGHSWAGGIKPDGALDGRDQESVPESVNFYWGAKLWG
LATGNTPLTKLASLQLAVTKRTTYEYFWMLDGNKNRPENIVRNKVIGIYF
EQKTDYTTYFGRFLEYIHGIQQLPMTPELMEYIRTPEFVSQEWDEKLGAI
APTVQSPWAGVLYLNYAIINPAEAYPALRKVQMDDGQTRSYSLYLTATRP
HFFRR
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 chain5xbz Chain F Residue 3 [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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PDB5xbz Catalytic mechanism of glycoside hydrolase family 81 beta-1,3-glucanase
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y386 F468 Y478 E553 Y628
Binding residue
(residue number reindexed from 1)		Y367 F449 Y459 E534 Y609
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.
Gene Ontology
Molecular Function
GO:0052861 endo-1,3(4)-beta-glucanase activity

View graph for
Molecular Function
External links
PDB RCSB:5xbz, PDBe:5xbz, PDBj:5xbz
PDBsum5xbz
PubMed
UniProtA0A023I7E1|ENG1_RHIMI Glucan endo-1,3-beta-D-glucosidase 1 (Gene Name=ENG1)

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