Structure of PDB 6ob5 Chain B Binding Site BS01

Receptor Information
>6ob5 Chain B (length=364) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVADG
PDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAY
PIAVEALSLIYNKDLLPNPPKTWEEIFALDKELKAKGKSALMFNLQEPYF
TWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTALVYLIAAKAMNA
DTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSK
PFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKS
YEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQT
VDEALKDAQTRITK
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 chain6ob5 Chain E Residue 1 [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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PDB6ob5 Computational design of a modular protein sense-response system.
Resolution2.208 Å
Binding residue
(original residue number in PDB)		D14 K15 E111 Y155 W230
Binding residue
(residue number reindexed from 1)		D11 K12 E105 Y149 W224
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015144 carbohydrate transmembrane transporter activity
Biological Process
GO:0008643 carbohydrate transport
GO:0055085 transmembrane transport

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Molecular Function
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Biological Process
External links
PDB RCSB:6ob5, PDBe:6ob5, PDBj:6ob5
PDBsum6ob5
PubMed31754004
UniProtP0AEX9|MALE_ECOLI Maltose/maltodextrin-binding periplasmic protein (Gene Name=malE)

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