Structure of PDB 1w5e Chain I Binding Site BS01

Receptor Information
>1w5e Chain I (length=332) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPEDKELLEYLQQTKAKITVVGCGGAGNNTITRLKMEGIEGAKTVAINTD
AQQLIRTKADKKILIGKKLTRGLGAGGNPKIGEEAAKESAEEIKAAIQDS
DMVFITCGLGGGTGTGSAPVVAEISKKIGALTVAVVTLPFVMEGKVRMKN
AMEGLERLKQHTDTLVVIPNEKLFEIVPNMPLKLAFKVADEVLINAVKGL
VELITKDGLINVDFADVKAVMNNGGLAMIGIGESDSEKRAKEAVSMALNS
PLLDVDIDGATGALIHVMGPEDLTLEEAREVVATVSSRLDPNATIIYGAT
IDENLENTVRVLLVITGVQSRIEFTDTGLKRK
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[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=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain1w5e Chain I Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1w5e Structural Insights Into Ftsz Protofilament Formation
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G46 G47 A48 G96 A97 G99 G130 G133 G134 T135 E165 R169 F208 D212
Binding residue
(residue number reindexed from 1)		G24 G25 A26 G74 A75 G77 G108 G111 G112 T113 E143 R147 F186 D190
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:1w5e, PDBe:1w5e, PDBj:1w5e
PDBsum1w5e
PubMed15558053
UniProtQ57816|FTSZ1_METJA Cell division protein FtsZ 1 (Gene Name=ftsZ1)

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