Structure of PDB 7q6i Chain P Binding Site BS01

Receptor Information
>7q6i Chain P (length=382) Species: 990268 (Vibrio maritimus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIIVGLDIGTATVSALVGEVLPDGQVNIIGAGSSPSRGMDKGGVNDLESV
VKSVQRAVDQAELMAECQISSVFISLSGKHIASRIEKGMGTISEEEVSQD
DMDRAIHTAKSIKIGDEQRILHVIPQEFTIDYQEGIKNPLGLSGVRMEVS
VHLISCHNDMARNIIKAVERCGLKVEQLVFSGLASSNAVITEDERELGVC
VVDIGAGTMDISIWTGGALRHTEVFSYAGNAVTSDIAFAFGTPLSDAEEI
KVKYGCALSELVSKDDTVNVPSVGGRPSRSLQRQTLAEVIEPRYTELMGL
VNQTIDNVQAKLRENGVKHHLAAGVVLTGGAAQIEGVVECAERVFRNQVR
VGKPLEVSGLTDYVKEPYHSTAVGLLHYARDS
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
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)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7q6i Chain P Residue 501 [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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PDB7q6i Bacterial divisome protein FtsA forms curved antiparallel double filaments when binding to FtsN.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		G16 T17 G212 A213 G214 T215 G236 E255 K258 V259 G337 A338 I341 Y375
Binding residue
(residue number reindexed from 1)		G9 T10 G205 A206 G207 T208 G229 E248 K251 V252 G330 A331 I334 Y368
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0043093 FtsZ-dependent cytokinesis
GO:0051301 cell division
Cellular Component
GO:0005886 plasma membrane
GO:0009898 cytoplasmic side of plasma membrane
GO:0032153 cell division site

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7q6i, PDBe:7q6i, PDBj:7q6i
PDBsum7q6i
PubMed36123441
UniProtA0A090T942

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