Structure of PDB 2v93 Chain A Binding Site BS02

Receptor Information
>2v93 Chain A (length=366) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPCKLEEKFPQVAATG
DGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLI
AYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEP
YFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHM
NADTDYCIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQP
SKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVAL
KSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGR
QTVDEALKDAQTRITK
Ligand information
Ligand IDMXT
InChIInChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3
InChIKeyZHMZILPINCAHPK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C
CACTVS 3.341CC1(C)CC(CC(C)(C)N1O)N2C(=O)CCC2=O
ACDLabs 10.04O=C1N(C(=O)CC1)C2CC(N(O)C(C)(C)C2)(C)C
FormulaC13 H22 N2 O3
Name1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE
ChEMBL
DrugBankDB08227
ZINCZINC000005762138
PDB chain2v93 Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2v93 Open-to-Closed Transition in Apo Maltose-Binding Protein Observed by Paramagnetic NMR.
ResolutionN/A
Binding residue
(original residue number in PDB)		G191 T193 F194 L195 V196 L198 C211
Binding residue
(residue number reindexed from 1)		G187 T189 F190 L191 V192 L194 C207
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015144 carbohydrate transmembrane transporter activity
GO:1901982 maltose binding
Biological Process
GO:0006974 DNA damage response
GO:0008643 carbohydrate transport
GO:0015768 maltose transport
GO:0034219 carbohydrate transmembrane transport
GO:0034289 detection of maltose stimulus
GO:0042956 maltodextrin transmembrane transport
GO:0055085 transmembrane transport
GO:0060326 cell chemotaxis
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing
GO:1990060 maltose transport complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2v93, PDBe:2v93, PDBj:2v93
PDBsum2v93
PubMed17960247
UniProtP0AEX9|MALE_ECOLI Maltose/maltodextrin-binding periplasmic protein (Gene Name=malE)

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