Structure of PDB 7caf Chain E Binding Site BS01
Receptor Information
>7caf Chain E (length=443) Species:
246196
(Mycolicibacterium smegmatis MC2 155) [
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CGSQTGGIVINYYTPANEEATFKAVANRCNEQLGGRFQIAQRNLPKGADD
QRLQLARRLTGNDKSLDVMALDVVWTAEFAEAGWAVPLSEDPAGLAEADA
TENTLPGPLETARWQDELYAAPITTNTQLLWYRADLMPAPPTTWDGMLDE
ANRLYREGGPSWIAVQGKQYEGMVVWFNTLLQSAGGQVLSDDGQRVTLTD
TPEHRAATVKALRIIKSVATAPGADPSITQTDENTARLALEQGKAALEVN
WPYVLPSLLENAVKGGVSFLPLDGDPALQGSINDVGTFSPTDEQFDIAFD
ASKKVFGFAPYPGVNPDEPARVTLGGLNLAVASTSQHKAEAFEAIRCLRN
VENQRYTSIEGGLPAVRTSLYDDPAFQKKYPQYEIIRQQLTNAAVRPATP
VYQAVSTRMSATLAPISDIDPERTADELTEAVQKAIDGKGLIP
Ligand information
Ligand ID
GLC
InChI
InChI=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
InChIKey
WQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBL
CHEMBL423707
DrugBank
ZINC
ZINC000003861213
PDB chain
7caf Chain F Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
7caf
Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC.
Resolution
3.3 Å
Binding residue
(original residue number in PDB)
D94 G194 E255 W273 R418
Binding residue
(residue number reindexed from 1)
D72 G172 E233 W251 R396
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:7caf
,
PDBe:7caf
,
PDBj:7caf
PDBsum
7caf
PubMed
33127676
UniProt
A0R2C3
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