Structure of PDB 4zv4 Chain A Binding Site BS01

Receptor Information
>4zv4 Chain A (length=392) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNKPHVNVGTIGHVDHGKTTLTAALTKVCSDTWGGSARAFDQIDNAPEEK
ARGITINTSHVEYDSAVRHYAHVDCPGHADYVKNMITGAAQMDGAILVCS
AADGPMPQTREHILLSRQVGVPYIVVFLNKADMVDDAELLELVEMEVRDL
LNTYDFPGDDTPIIIGSALMALEGKDDNGIGVSAVQKLVETLDSYIPEPV
RAIDQPFLMPIEDVFSISGRGTVVTGRVERGIIKVQEEVEIVGIKATTKT
TCTGVEMFRKLLDEGRAGENVGILLRGTKREDVERGQVLAKPGTIKPHTK
FECEVYVLSKEEGGRHTPFFKGYRPQFYFRTTDVTGNCELPEGVEMVMPG
DNIKMVVTLIAPIAMEDGLRFAIREGGRTVGAGVVAKIIELE
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 chain4zv4 Chain A Residue 501 [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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PDB4zv4 An Interbacterial NAD(P)(+) Glycohydrolase Toxin Requires Elongation Factor Tu for Delivery to Target Cells.
Resolution3.504 Å
Binding residue
(original residue number in PDB)		D22 G24 K25 T26 T27 K137 D139 S174 L176
Binding residue
(residue number reindexed from 1)		D15 G17 K18 T19 T20 K130 D132 S167 L169
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D22 K25 T26 T62 H85
Catalytic site (residue number reindexed from 1) D15 K18 T19 T55 H78
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0097216 guanosine tetraphosphate binding
Biological Process
GO:0006412 translation
GO:0006414 translational elongation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zv4, PDBe:4zv4, PDBj:4zv4
PDBsum4zv4
PubMed26456113
UniProtP09591|EFTU_PSEAE Elongation factor Tu (Gene Name=tufA)

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