Structure of PDB 3wqu Chain D Binding Site BS01

Receptor Information
>3wqu Chain D (length=369) Species: 282458 (Staphylococcus aureus subsp. aureus MRSA252) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YYVSIDIGSSSVKTIVGEKFHNGINVIGTGQTYTSGIKNGLIDDFDIARQ
AIKDTIKKASIASGVDIKEVFLKLPIIGTEVYDESNEIDFYEDTEINGSH
IEKVLEGIREQETEVINVFPIRFIVDKENEVSDPKELIARHSLKVEAGVI
AIQKSILINMIKCVEACGVDVLDVYSDAYNYGSILTATEKELGACVIDIG
EDVTQVAFYERGELVDADSIEMAGRDITDDIAQGLNTSYETAEKVKHQYG
HAFYDSASDQDIFTVEQVDSDETVQYTQKDLSDFIEARVEEIFFEVFDVL
QDLGLTKVNGGFIVTGGSANLLGVKELLSDMVSEKVRIHTPSQMGIRKPE
FSSAISTISSSIAFDELLD
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 chain3wqu Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wqu Crystal structure of FtsA from Staphylococcus aureus
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G12 S13 S14 S15 K17 G208 E209 V211 G232 E251 K254 H255 G325 N328 L329
Binding residue
(residue number reindexed from 1)		G8 S9 S10 S11 K13 G200 E201 V203 G224 E243 K246 H247 G317 N320 L321
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3wqu, PDBe:3wqu, PDBj:3wqu
PDBsum3wqu
PubMed24746687
UniProtQ6GHQ0|FTSA_STAAR Cell division protein FtsA (Gene Name=ftsA)

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