Structure of PDB 7lc3 Chain B Binding Site BS04

Receptor Information
>7lc3 Chain B (length=673) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPTLVVQALKEAVKKLNPQAQWRNPVMFIVWIGSLLTTCISIAMASGAMP
GNALFSAAISGWLWITVLFANFAEALAEGRSKAQANSLKGVKKTAFARKL
REPKYGAAADKVPADQLRKGDIVLVEAGDIIPCDGEVIEGGASVDESAIT
GEAAPVIRESGGDFASVTGGTRILSDWLVIECSVNPGETFLDRMIAMVEG
AQRRKTPNEIALTILLIALTIVFLLATATLWPFSAWGGNAVSVTVLVALL
VCLIPTTIGGLLSAIGVAGMSRMLGANVIATSGRAVEAAGDVDVLLLDKT
GTITLGNRQASEFIPAQGVDEKTLADAAQLASLADETPEGRSIVILAKQR
FNLRERDVQSLHATFVPFTAQSRMSGINIDNRMIRKGSVDAIRRHVEANG
GHFPTDVDQKVDQVARQGATPLVVVEGSRVLGVIALKDIVKGGIKERFAQ
LRKMGIKTVMITGDNRLTAAAIAAEAGVDDFLAEATPEAKLALIRQYQAE
GRLVAMTGDGTNDAPALAQADVAVAMNSGTQAAKEAGNMVDLDSNPTKLI
EVVHIGKQMLMTRGSLTTFSIANDVAKYFAIIPAAFAATYPQLNALNIMC
LHSPDSAILSAVIFNALIIVFLIPLALKGVSYKPLTASAMLRRNLWIYGL
GGLLVPFIGIKVIDLLLTVCGLV
Ligand information
Ligand IDACP
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKeyUFZTZBNSLXELAL-IOSLPCCCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC11 H18 N5 O12 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER;
ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE
ChEMBLCHEMBL133463
DrugBankDB03909
ZINCZINC000008295124
PDB chain7lc3 Chain B Residue 803 [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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PDB7lc3 Structural basis for potassium transport in prokaryotes by KdpFABC.
Resolution3.23 Å
Binding residue
(original residue number in PDB)		D307 T309 R317 D344 F377 R382 K395 G396 S397 L431 G472 D473
Binding residue
(residue number reindexed from 1)		D298 T300 R308 D335 F368 R373 K386 G387 S388 L422 G463 D464
Annotation score3
Enzymatic activity
Enzyme Commision number 7.2.2.6: P-type K(+) transporter.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0005215 transporter activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008556 P-type potassium transmembrane transporter activity
GO:0015662 P-type ion transporter activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006813 potassium ion transport
GO:0071805 potassium ion transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0031004 potassium ion-transporting ATPase complex
GO:1903103 potassium:proton antiporter complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7lc3, PDBe:7lc3, PDBj:7lc3
PDBsum7lc3
PubMed34272288
UniProtP03960|KDPB_ECOLI Potassium-transporting ATPase ATP-binding subunit (Gene Name=kdpB)

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