Structure of PDB 4qsd Chain A Binding Site BS01

Receptor Information
>4qsd Chain A (length=382) 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
KAIQDAIQGALSGQMTPKAALDQAAEKIKLVD
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 chain4qsd Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qsd Crystal Structure of Maltoside Transporter Atu4361 from Agrobacterium Fabrum, Target Efi-510558
Resolution1.34 Å
Binding residue
(original residue number in PDB)		D89 E195 E196 F199 Q245 W265 G297 D298 R367
Binding residue
(residue number reindexed from 1)		D62 E168 E169 F172 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:4qsd, PDBe:4qsd, PDBj:4qsd
PDBsum4qsd
PubMed
UniProtA9CGI0

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