Structure of PDB 3err Chain A Binding Site BS01

Receptor Information
>3err Chain A (length=527) Species: 10090,300852 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLKRLRQEPEVFHRAIREKGVALDLEALLAVDEQLHKQQEVIADKQMSVK
EDLDKVEPAVIEAQNAVKSIKKQHLVEVRSMANPPAAVKLALESIALLLG
ESTTDWKQIRSIIMRENFIPTIVNFSAEEISDAIREKMKKNYMSNPSYNY
EIVNRASLAAGPMVKWAIAQLNYADMLKRVEPLRNELQKLEDDAKDNQQK
LEALLLQVPLPPWPGAPVGGEEANREIKRVGGPPEFSFPPLDHVALMEKN
GWWEPRISQVSGSRSYALKGDLALYELALLRFAMDFMARRGFLPMTLPSY
AREKAFLGTGHFPAYRDQVWAIAETDLYLTGTAEVVLNALHSGEILPYEA
LPLRYAGYAPAFRSEAGSFGKDVRGLMRVHQFHKVEQYVLTEASLEASDR
AFQELLENAEEILRLLELPYRLVEVATGDMGPGKWRQVDIEVYLPSEGRY
RETHSCSALLDWQARRANLRYRDPEGRVRYAYTLNNTALATPRILAMLLE
NHQLQDGRVRVPQALIPYMGKEVLEPG
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 chain3err Chain A Residue 1507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3err Structure and functional role of dynein's microtubule-binding domain.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		R256 E258 M270 V272 F275 E345 T346 S348 T380
Binding residue
(residue number reindexed from 1)		R363 E365 M377 V379 F382 E452 T453 S455 T487
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R256 R271 E345 S348 R386
Catalytic site (residue number reindexed from 1) R363 R378 E452 S455 R493
Enzyme Commision number ?
6.1.1.11: serine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004828 serine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006434 seryl-tRNA aminoacylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3err, PDBe:3err, PDBj:3err
PDBsum3err
PubMed19074350
UniProtQ5SJX7;
Q9JHU4

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