Structure of PDB 4qsc Chain A Binding Site BS04

Receptor Information
>4qsc Chain A (length=383) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVTLTLWSLDRDIQPAPNLIKEFNALNNGIKIEYRQLQFDDVVSESMRAY
STGNAPDIIAIDNPNHAMFASRGAFLDVTDMIAKSDVIKTENYFPGPLKS
VTWDGKYFGVPKATNTIALYYNKDLFKAAGLDAAKPPQTWDELVDAARKL
TNPAKNVYGISFSAKANEEGTFQFLPWAQMAGATYKNINTDGAVKALETW
KTLLDEKLASPDTLTRSQWDSTATFNAGNAAMAISGPWEIDRMLKDAKFD
WGVTLLPVPTPDAPRSSAMGDYNWAIFSKTKHPAEAFKAIEFFASKDKDM
FKNFGQLPARSDIPVPPTGNALKDEALKTFVEQLKYAQPRGPSPEWPKIS
KAIQDAIQGALSGQMTPKAALDQAAEKIKLVDG
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain4qsc Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qsc Crystal Structure of Maltoside Transporter Atu4361 from Agrobacterium Fabrum, Target Efi-510558
Resolution1.3 Å
Binding residue
(original residue number in PDB)		F66 D89 E196 Q245 W265 G297 D298 R367
Binding residue
(residue number reindexed from 1)		F39 D62 E169 Q218 W238 G270 D271 R340
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:1901982 maltose binding
Biological Process
GO:0015768 maltose transport
GO:0042956 maltodextrin transmembrane transport
Cellular Component
GO:0042597 periplasmic space
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4qsc, PDBe:4qsc, PDBj:4qsc
PDBsum4qsc
PubMed
UniProtA9CGI0

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