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BioLiP

Structure of PDB 2b3f Chain C Binding Site BS01

Receptor Information
>2b3f Chain C (length=391) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLEIFSWWAGDEGPALEALIRLYKQKYPGVEVINATVTGGAGVNARAVL
KTRMLGGDPPDTFQVHAGMELIGTWVVANRMEDLSALFRQEGWLQAFPKG
LIDLISYKGGIWSVPVNIHRSNVMWYLPAKLKGWGVNPPRTWDKFLATCQ
TLKQKGLEAPLALGENWTQQHLWESVALAVLGPDDWNNLWNGKLKFTDPK
AVRAWEVFGRVLDCANKDAAGLSWQQAVDRVVQGKAAFNIMGDWAAGYMT
TTLKLKPGTDFAWAPSPGTQGVFMMLSDSFGLPKGAKNRQNAINWLRLVG
SKEGQDTSNPLKGSIAARLDSDPSKYNAYGQSAMRDWRSNRIVGSLVHGA
VAPESFMSQFGTVMEIFLQTRNPQAAANAAQAIADQVGLGR
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain2b3f Chain C Residue 3312 [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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PDB2b3f The crystal structure of a thermophilic glucose binding protein reveals adaptations that interconvert mono and di-saccharide binding sites.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		W8 W9 E13 A42 H66 W244 D278 K312 H348
Binding residue
(residue number reindexed from 1)		W8 W9 E13 A42 H66 W244 D278 K312 H348
Annotation score4
Binding affinityMOAD: Kd=0.94uM
Enzymatic activity
Enzyme Commision number ?
External links

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