Structure of PDB 7szs Chain A Binding Site BS01

Receptor Information
>7szs Chain A (length=204) Species: 1125630 (Klebsiella pneumoniae subsp. pneumoniae HS11286) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMLTNWNYQLTHFVTSAPDIRHLPADTGIEVAFAGRSNAGKSSALNTL
TNQKNLARTSTQLINLFEVAEGKRLVDLPGYGYAQVPEEMKIKWQRALGE
YLEKRLCLKGLVVLMDIRHPLKDLDQQMIEWAVESDIQVLVLLTKADKLA
SGARKAQVNMVREAVLAFNGDVQVEPFSSLKKSGVDKLRQKLDSWFNEIP
PQEA
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 chain7szs Chain A Residue 301 [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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PDB7szs Crystal Structure of Probable GTP-binding protein EngB bound to GDP from Klebsiella pneumoniae subsp. pneumoniae
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N37 G39 K40 S41 S42 K147 D149 S180 S181 L182
Binding residue
(residue number reindexed from 1)		N40 G42 K43 S44 S45 K145 D147 S178 S179 L180
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:7szs, PDBe:7szs, PDBj:7szs
PDBsum7szs
PubMed
UniProtA6TG68|ENGB_KLEP7 Probable GTP-binding protein EngB (Gene Name=engB)

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