Structure of PDB 3wgl Chain A Binding Site BS01

Receptor Information
>3wgl Chain A (length=303) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LATLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESKIQ
IGEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGTG
TGAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAVDT
LIVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVGANLDFA
DVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLETSIVGAQGVLM
NITGGESLSLFEAQEAADIVQDAADEDVNMIFGTVINPELQDEIVVTVIA
TGF
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain3wgl Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wgl Structural change in FtsZ Induced by intermolecular interactions between bound GTP and the T7 loop
Resolution3.066 Å
Binding residue
(original residue number in PDB)		G20 G21 G22 N25 G107 G108 T109 G110 P135 E139 R143 F183 A186 D187
Binding residue
(residue number reindexed from 1)		G10 G11 G12 N15 G97 G98 T99 G100 P125 E129 R133 F173 A176 D177
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0000917 division septum assembly
GO:0043093 FtsZ-dependent cytokinesis
GO:0051258 protein polymerization
GO:0051301 cell division
GO:0090529 cell septum assembly
Cellular Component
GO:0005737 cytoplasm
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:3wgl, PDBe:3wgl, PDBj:3wgl
PDBsum3wgl
PubMed24347164
UniProtP0A029|FTSZ_STAAM Cell division protein FtsZ (Gene Name=ftsZ)

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