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Structure of PDB 3vik Chain A Binding Site BS02

Receptor Information
>3vik Chain A (length=472) Species: 60586 (Neotermes koshunensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVYTFPDEFKLGAATASYQIEGAWDENGKGPNIWDTLTHEHPDYVVDGAT
GDIADDSYHLYKEDVKILKELGAQVYRFSISWARVLPEGHDNIVNQDGID
YYNNLINELLANGIEPMVTMYHWDLPQALQDLGGWPNLVLAKYSENYARV
LFKNFGDRVKLWLTFNSPLTFMDGYASEIGMAPSINTPGIGDYLAAHTVI
HAHARIYHLYDQEFRAEQGGKVGISLNINWCEPATNSAEDRASCENYQQF
NLGLYAHPIFTEEGDYPAVLKDRVSRNSADEGYTDSRLPQFTAEEVEYIR
GTHDFLGINFYTALLGKSGVEGYEPSRYRDSGVILTQDAAWPISASSWLK
VVPWGFRKELNWIKNEYNNPPVFITENGFSDYGGLNDTGRVHYYTEHLKE
MLKAIHEDGVNVIGYTAWSLMDNFEWLRGYSEKFGIYAVDFEDPARPRIP
KESAKVLAEIMNTRKIPERFRD
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 chain3vik Chain B Residue 2 [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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PDB3vik High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Resolution1.1 Å
Binding residue
(original residue number in PDB)		S193 T196 N253 Y337 E402 E451
Binding residue
(residue number reindexed from 1)		S167 T170 N227 Y311 E376 E425
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R103 H148 S193 T196 N335 Y337 E402
Catalytic site (residue number reindexed from 1) R77 H122 S167 T170 N309 Y311 E376
Enzyme Commision number 3.2.1.21: beta-glucosidase.
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
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links

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