Structure of PDB 1ktg Chain A Binding Site BS04

Receptor Information
>1ktg Chain A (length=137) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVKAAGLVIYRKLAGKIEFLLLQASYPPHHWTPPKGHVDPGEDEWQAAIR
ETKEEANITKEQLTIHEDCHETLFYEAKGKPKSVKYWLAKLNNPDDVQLS
HEHQNWKWCELEDAIKIADYAEMGSLLRKFSAFLAGF
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1ktg Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1ktg The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms
Resolution1.8 Å
Binding residue
(original residue number in PDB)		P29 H31 K36 Y76 K83 Y121
Binding residue
(residue number reindexed from 1)		P28 H30 K35 Y75 K82 Y120
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0004081 bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
GO:0005524 ATP binding
GO:0008796 bis(5'-nucleosyl)-tetraphosphatase activity
GO:0016787 hydrolase activity
GO:0043135 5-phosphoribosyl 1-pyrophosphate pyrophosphatase activity
Biological Process
GO:0006167 AMP biosynthetic process
GO:0006172 ADP biosynthetic process
GO:0006754 ATP biosynthetic process
GO:0006915 apoptotic process
GO:0015967 diadenosine tetraphosphate catabolic process
GO:0019693 ribose phosphate metabolic process
Cellular Component
GO:0005575 cellular_component

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ktg, PDBe:1ktg, PDBj:1ktg
PDBsum1ktg
PubMed11937063
UniProtQ9U2M7|AP4A_CAEEL Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] (Gene Name=ndx-4)

[Back to BioLiP]