Structure of PDB 5xc2 Chain B Binding Site BS04

Receptor Information
>5xc2 Chain B (length=720) Species: 4839 (Rhizomucor miehei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDDLFVPVSNFDPKSIFPEIKHPFEPMYANTENGKIVPTNSWISNLFYPS
ADNLAPTTPDPYTLRLLDGYGGNPGLTIRQPSAKVLGSYPPTNDVPYTDA
GYMINSVVVDLRLTSSEWSDVVPDRQVTDWDHLSANLRLSTPQDSNSYID
FPIVRGMAYITANYNNLTPQFLSQHAIISVEADEKKSDDNTSTFSGRKFK
ITMNDDPTSTFIIYSLGDKPLELRKQDNSNLVASKPYTGVIRVAKLPAPE
FETLLDASRAVWPTGGDISARSDDNNGASYTIKWKTNSNEAPLLTYAYAH
HLTSIDDSNVKRTDMTLQSATKGPMTALVGNEWTLRETELSPVEWLPLQA
APNPTTINEIMTEINKDIASNYTQETAKEDNYFSGKGLQKFAMLALILNK
SDQTQLRNPELAQIALDKLKAAFLPYLQNEQADPFRYDTLYKGIVAKAGL
PTSMGGTDDLSAEFGHSYYSDHHYHQGYFVVTAAIIHHLDPTWNADRLKA
WTEALIRDVNNANDGDEYFAAFRNWDWFAGHSWAGGIKPDGALDGRDQES
VPESVNFYWGAKLWGLATGNTPLTKLASLQLAVTKRTTYEYFWMLDGNKN
RPENIVRNKVIGIYFEQKTDYTTYFGRFLEYIHGIQQLPMTPELMEYIRT
PEFVSQEWDEKLGAIAPTVQSPWAGVLYLNYAIINPAEAYPALRKVQMDD
GQTRSYSLYLTATRPHFFRR
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 chain5xc2 Chain I 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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PDB5xc2 Catalytic mechanism of glycoside hydrolase family 81 beta-1,3-glucanase
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y386 F468 Y478 H479 E557
Binding residue
(residue number reindexed from 1)		Y382 F464 Y474 H475 E553
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:5xc2, PDBe:5xc2, PDBj:5xc2
PDBsum5xc2
PubMed
UniProtA0A023I7E1|ENG1_RHIMI Glucan endo-1,3-beta-D-glucosidase 1 (Gene Name=ENG1)

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