Structure of PDB 2qvc Chain B Binding Site BS01

Receptor Information
>2qvc Chain B (length=302) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTIGVIGKSVHPYWSQVEQGVKAAGKALGVDTKFFVPQKEDINAQLQMLE
SFIAEGVNGIAIAPSDPTAVIPTIKKALEMGIPVVTLDTDSPDSGRYVYI
GTDNYQAGYTAGLIMKELLGGKGKVVIGTGSLTAMNSLQRIQGFKDAIKD
SEIEIVDILNDEEDGARAVSLAEAALNAHPDLDAFFGVYAYNGPAQALVV
KNAGKVGKVKIVCFDTTPDILQYVKEGVIQATMGQRPYMMGYLSVTVLYL
MNKIGVQNTLMMLPKVKVDGKVDYVIDTGVDVVTPENLDEYLKKMEELGI
PI
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 chain2qvc Chain B Residue 400 [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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PDB2qvc Structure of a periplasmic glucose-binding protein from Thermotoga maritima.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K39 Y44 W45 D119 N167 R171 E194 Y220 A221 D246 Q266
Binding residue
(residue number reindexed from 1)		K8 Y13 W14 D88 N136 R140 E163 Y189 A190 D215 Q235
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2qvc, PDBe:2qvc, PDBj:2qvc
PDBsum2qvc
PubMed23192024
UniProtQ9WXW9

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