Structure of PDB 7mdy Chain D Binding Site BS03

Receptor Information
>7mdy Chain D (length=227) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KILLQCDNLCKRYQEGSVQTDVLHNVSFSVGEGEMMAIVGSSGSGKSTLL
HLLGGLDTPTSGDVIFNGQPMSKLSSAAKAELRNQKLGFIYQFHHLLPDF
TALENVAMPLLIGKKKPAEINSRALEMLKAVGLDHRANHRPSELSGGERQ
RVAIARALVNNPRLVLADEPTGNLDARNADSIFQLLGELNRLQGTAFLVV
THDLQLAKRMSRQLEMRDGRLTAELSM
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)		R138 H141 E145 S147 G148 G149 N175
Binding residue
(residue number reindexed from 1)		R136 H139 E143 S145 G146 G147 N173
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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