Structure of PDB 7ask Chain F Binding Site BS02

Receptor Information
>7ask Chain F (length=1523) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSSRYRELIAIFGEFLEENDFHVRISMDRVGEVKTLFSAKTIPVESETEA
AIEVVTIEAARRRDALRRTCNAVLRTRHSDQHVDVGTIVADEEERLAWKF
LIGALAAKNSEILPVVEAELLLAAVEYHYATARPELCDMFVHLSASEMFF
IDGDSLFMAALSPQSVDWDLIQPLHVIYNAQKLLYDMHCRGARFHVVFFD
SLLWIWESAPAKLFMRENLRKTLMSLSENDAKVGLSISNFSSYYSEAFET
YVKQWEPEFILMSDGEQLGRLNPLQAFFVRPSAANNTHDSRRKANYTDAD
EANPYRLRRQYRSIVEDEAVGDKSDDDAGGNSANNKTAGAKKVNKEHAGQ
RNKKERSKEDEIRERSNVIAATATVAEWHKQMNHLLHAVDMSHGRTTNRD
RDESINTIMAAIKRLSQEKFGKNFDPGYTLGGSTNTAVPLKLEMWRLLVA
ASQLREVEFAFAMEDPALKDSKGASKKKDSKSEYKMLYGFHVINQFVERE
AVKGNHWGQLDPLRKAKPDMTIVEARSYLRWVYLSFVEMHIQLKLKCRVV
KLQLENWRAERERARLAQESPKIALGIPLFLYCHHHVLAVIRDEGPRMSS
EDIDTVRSALKHFDLPDSYYNKLDQCIARWQNMTLGTLLPSLLPQDKQLF
ETPEMLQLIHMGHLLERPFVREHDYRVAFNPDNWQRELLDIVDGRGSAVV
CAPTSAGKTFISYYCMYKALRRTNKKVVVYLAPARALINQAVADVCARYG
SKKYKNPGRYIYGALGGADYHQFHDSCQVLLTVPETFETMLLSPKYTDWV
ELIDYVILDEIHSMESNGNGDVWERILALLPCPFVALSATLGETQQLCSW
LNRVQGRLKEQTEEMSGKMRDFEVHLLPSEGKSIQRWNDIKKYIYLPPPG
AALTQKKIKAQYNNCYIRDLHPLSILTADQLQRGFPPDISLVPSEVVSLF
EKMHSKFNEVVWPNYSSLQLAKTLRAQLMLIEPSKYFEAETYITQERARQ
YEAEVKNAFAYWAYLGHEGCELPENLVEEDLDDFSASMNMAVESILRTFA
QKLNEDEALLERHAADGMEKKKRMLLRQQHLQLLQQQEQENEPNQEESME
QKSEEQGGAQEEEQEKETVGSVSFPGSRQFIREHILNVLRELIARDMGPT
IVFSFESEDCGDLVKYVVEQLEEAESRYRKTNEFALYKARIERAAAAQEA
RRKQRESTLKQKRLTTGDDGDVEVADRDMSDGEGEDELFVVPDVLPEFTF
IGEKCTVEPEVVDSLMEDCEKEGEDLLLRALQRGIGMHHAGVKGKLRAHV
ERLFRGRHCGVIFSTETLALGIHSPCRSVVLAGDHILLNPTQFRQMMGRA
GRRGLDYLGHLVFLGITMRRIKRLMTSSMTVIKGNVQMDPISNLRLLQLY
DFNTLRHLKNEAGWKTHVLKLAERLFVNPLFFQGRNSVAGGNMEGFTVEW
LQMLLGYFQREGLHFSDHASSLGSILQDAMYVFREAHVGNEGFSFIRMLT
SGVFDKAHYSPLYDKKLNSGVLD
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7ask Chain F Residue 2202 [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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PDB7ask Structural Differences in Translation Initiation between Pathogenic Trypanosomatids and Their Mammalian Hosts.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		P1025 A1050 G1051 K1052 F1054 R1697
Binding residue
(residue number reindexed from 1)		P681 A706 G707 K708 F710 R1353
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0005524 ATP binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7ask, PDBe:7ask, PDBj:7ask
PDBsum7ask
PubMed33357443
UniProtQ4E5Z1

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