Structure of PDB 5xc2 Chain C Binding Site BS02

Receptor Information
>5xc2 Chain C (length=705) Species: 4839 (Rhizomucor miehei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDDLFVPVSNFDPKSIFPEIKHPFEPMYANTENGKIVPTNSWISNLFYPS
ADNLAPTTPDPYTLRLLDGYGGNPGLTIRQPSAKVLGSYPPTNDVAGYMI
NSVVVDLRLTSSEWSDVVPDRQVTDWDHLSANLRLSTPQDSNSYIDFPIV
RGMAYITANYNNLTPQFLSQHAIISVEADEKTFSGRKFKITMNDDPTSTF
IIYSLGDKPLELRKQDNSNLVASKPYTGVIRVAKLPAPEFETLLDASRAV
WPTGGDISARSDDNNGASYTIKWKTNSNEAPLLTYAYAHHLTSIDDSNVK
RTDMTLQSATKGPMTALVGNEWTLRETELSPVEWLPAAPNPTTINEIMTE
INKDIASNYTQETAKEDNYFSGKGLQKFAMLALILNKSDQTQLRNPELAQ
IALDKLKAAFLPYLQNEQADPFRYDTLYKGIVAKAGLPTSMGGTDDLSAE
FGHSYYSDHHYHQGYFVVTAAIIHHLDPTWNADRLKAWTEALIRDVNNAN
DGDEYFAAFRNWDWFAGHSWAGGIKPDGALDGRDQESVPESVNFYWGAKL
WGLATGNTPLTKLASLQLAVTKRTTYEYFWMLDGNKNRPENIVRNKVIGI
YFEQKTDYTTYFGRFLEYIHGIQQLPMTPELMEYIRTPEFVSQEWDEKLG
AIAPTVQSPWAGVLYLNYAIINPAEAYPALRKVQMDDGQTRSYSLYLTAT
RPHFF
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 M 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 E553 E557 Y628
Binding residue
(residue number reindexed from 1)		Y369 F451 Y461 H462 E536 E540 Y611
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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