Structure of PDB 2vh9 Chain B Binding Site BS02

Receptor Information
>2vh9 Chain B (length=266) Species: 4020 (Tropaeolum majus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGPPSPGYYPSSQITSLGFDQGYTNLWGPQHQRVDQGSLTIWLDSTSGSG
FKSINRYRSGYFGANIKLQSGYTAGVITSFYLSNNQDYPGKHDEIDIEFL
GTIPGKPYTLQTNVFIEGSGDREMRIHLWFDPTQDYHNYAIYWTPSEIIF
FVDDVPIRRYPRKSDATFPLRPLWVYGSVWDASSWATENGKYKADYRYQP
FVGKYEDFKLGSCTVEAASSCNPASVSPYGQLSQQQVAAMEWVQKNYMVY
NYCDDPTRDHTLTPEC
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 chain2vh9 Chain F Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vh9 Analysis of Nasturtium Tmnxg1 Complexes by Crystallography and Molecular Dynamics Provides Detailed Insight Into Substrate Recognition by Family Gh16 Xyloglucan Endo-Transglycosylases and Endo-Hydrolases.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W27 Y81 S178 W180
Binding residue
(residue number reindexed from 1)		W27 Y81 S178 W180
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E94 D96 E98
Catalytic site (residue number reindexed from 1) E94 D96 E98
Enzyme Commision number 2.4.1.207: xyloglucan:xyloglucosyl transferase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016762 xyloglucan:xyloglucosyl transferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0010411 xyloglucan metabolic process
GO:0042546 cell wall biogenesis
GO:0044042 glucan metabolic process
Cellular Component
GO:0005618 cell wall
GO:0048046 apoplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vh9, PDBe:2vh9, PDBj:2vh9
PDBsum2vh9
PubMed19004021
UniProtQ07524

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