Structure of PDB 2v93 Chain A Binding Site BS01

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 500 [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)		C41 K42 S337
Binding residue
(residue number reindexed from 1)		C37 K38 S333
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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