Structure of PDB 3pqc Chain A Binding Site BS01

Receptor Information
>3pqc Chain A (length=192) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIRDVELVKVARTPGDYPPPLKGEVAFVGRSNVGKSSLLNALFNRKIAFV
SKTPGKTRSINFYLVNSKYYFVDLPGYGYAKVSKKERMLWKRLVEDYFKN
RWSLQMVFLLVDGRIPPQDSDLMMVEWMKSLNIPFTIVLTKMDKVKMSER
AKKLEEHRKVFSKYGEYTIIPTSSVTGEGISELLDLISTLLK
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 chain3pqc Chain A Residue 801 [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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PDB3pqc Structure of an essential GTPase, YsxC, from Thermotoga maritima
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N33 G35 K36 S37 S38 V51 S52 K142 D144 K145 S174 V176
Binding residue
(residue number reindexed from 1)		N32 G34 K35 S36 S37 V50 S51 K141 D143 K144 S173 V175
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005525 GTP binding
GO:0046872 metal ion binding
Biological Process
GO:0000917 division septum assembly
GO:0051301 cell division
GO:0090529 cell septum assembly
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3pqc, PDBe:3pqc, PDBj:3pqc
PDBsum3pqc
PubMed21636901
UniProtQ9X1H7|ENGB_THEMA Probable GTP-binding protein EngB (Gene Name=engB)

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