Structure of PDB 7mdy Chain C Binding Site BS02

Receptor Information
>7mdy Chain C (length=226) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILLQCDNLCKRYQEGSVQTDVLHNVSFSVGEGEMMAIVGSSGSGKSTLLH
LLGGLDTPTSGDVIFNGQPMSKLSSAAKAELRNQKLGFIYQFHHLLPDFT
ALENVAMPLLIGKKKPAEINSRALEMLKAVGLDHRANHRPSELSGGERQR
VAIARALVNNPRLVLADEPTGNLDARNADSIFQLLGELNRLQGTAFLVVT
HDLQLAKRMSRQLEMRDGRLTAELSM
Ligand information
Ligand IDAOV
InChIInChI=1S/C10H15N5O10P2.3H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);3*1H2;;/q;;;;;+4/p-4/t4-,6-,7-,10-;;;;;/m1...../s1
InChIKeySWCHWRVRYDCWAN-AZGWGOJFSA-J
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O[V](=O)(O)(O)O)O)O)N
CACTVS 3.352Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)(O)=O)[CH](O)[CH]3O
CACTVS 3.352Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H17 N5 O14 P2 V
NameADP ORTHOVANADATE
ChEMBL
DrugBank
ZINC
PDB chain7mdy Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mdy Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Resolution3.5 Å
Binding residue
(original residue number in PDB)		Y15 G45 S46 G47 K48 S49 T50 Q94 E171 H204
Binding residue
(residue number reindexed from 1)		Y12 G42 S43 G44 K45 S46 T47 Q91 E168 H201
Annotation score4
Enzymatic activity
Enzyme Commision number 7.6.2.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0022857 transmembrane transporter activity
GO:0140306 lipoprotein releasing activity
Biological Process
GO:0044873 lipoprotein localization to membrane
GO:0044874 lipoprotein localization to outer membrane
GO:0055085 transmembrane transport
GO:0089705 protein localization to outer membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0098797 plasma membrane protein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7mdy, PDBe:7mdy, PDBj:7mdy
PDBsum7mdy
PubMed
UniProtP75957|LOLD_ECOLI Lipoprotein-releasing system ATP-binding protein LolD (Gene Name=lolD)

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