Structure of PDB 4iw3 Chain B Binding Site BS01

Receptor Information
>4iw3 Chain B (length=380) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPHVNVGTIGHVDHGKTTLTAALTRVCSEVFGSKIDSAPEEKARGITINT
AHVEYNSTIRHYAHVDCPGHADYVKNMITGAAQMDGAILVCSAADGPMPQ
TREHILLSRQVGVPYIVVFLNKADLVAELLELVEMEVRDLLSTYDFPGDD
TPIIIGSARMALEGKDDNEMGTTAVKKLVETLDSYIPEPVRAIDQPFLMP
IEDVFSISGRGTVVTGRIERGIVRVQDPLEIVGLRDTTTTTCTGVEMFRK
LLDEGRAGENCGVLLRGTKRDDVERGQVLVKPGSVKPHTKFTAEVYVLSK
EEGGRHTPFFKGYRPQFYFRTTDVTGNCELPEGVEMVMPGDNIQMTVTLI
KTIAMEDGLRFAIREGGRTVGAGVVAKIIE
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 chain4iw3 Chain B 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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PDB4iw3 Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Resolution2.697 Å
Binding residue
(original residue number in PDB)		D22 G24 K25 T26 T27 N136 K137 D139 S174 R176
Binding residue
(residue number reindexed from 1)		D13 G15 K16 T17 T18 N121 K122 D124 S157 R159
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D22 K25 T26 T62 H85
Catalytic site (residue number reindexed from 1) D13 K16 T17 T47 H70
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
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:4iw3, PDBe:4iw3, PDBj:4iw3
PDBsum4iw3
PubMed25197067
UniProtQ88QP8|EFTU1_PSEPK Elongation factor Tu-A (Gene Name=tufA)

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