Structure of PDB 5xc2 Chain D Binding Site BS07

Receptor Information
>5xc2 Chain D (length=648) Species: 4839 (Rhizomucor miehei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDDLFVPVSNFDPKSIFPEIKHPFEPMYANTENGKIVPTNSWISNLFYPS
ADNLAPTTPDPYTLRLLGLTIRQPSAKVLGSYPAGYMINSVVVDLRLDRQ
VTDWDHLSANLRLSNSYIDFPIVRGMAYITANYNNLTPQFLSSGRKFKIT
STFIIYSLGDKPLSKPYTGVIRVAKLPAPEFETLLDASRAVWPTGGDISA
RSDDNNGASYTIKWKTNSNEAPLLTYAYAHHLTSIDDSNVKRTDMTLQSA
TKGPMTALVGNEWTLRETELSPVEWLPLQAAPNPTTINEIMTEINKDIAS
NYTQETAKEDNYFSGKGLQKFAMLALILNKSDQTQLRNPELAQIALDKLK
AAFLPYLQNEQADPFRYDTLYKGIVAKAGLPTSMGGTDDLSAEFGHSYYS
DHHYHQGYFVVTAAIIHHLDPTWNADRLKAWTEALIRDVNNANDGDEYFA
AFRNWDWFAGHSWAGGIKPDGALDGRDQESVPESVNFYWGAKLWGLATGN
TPLTKLASLQLAVTKRTTYEYFWMLDGNKNRPENIVRNKVIGIYFEQKTD
YTTYFGRFLEYIHGIQQLPMTPELMEYIRTPEFVSQEWDEKLGAIAPTVQ
SPWAGVLYLNYAIINPAEAYPALRKVQMDDGQTRSYSLYLTATRPHFF
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 R 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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PDB5xc2 Catalytic mechanism of glycoside hydrolase family 81 beta-1,3-glucanase
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y93 Y106 K622 D624
Binding residue
(residue number reindexed from 1)		Y82 Y86 K548 D550
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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