Structure of PDB 5mb9 Chain A Binding Site BS01

Receptor Information
>5mb9 Chain A (length=505) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GERVVIGITFGNSNSSIAHTVDDKAEVIANEDGDRQIPTILSYVDGDEYY
GQQAKNFLVRNPKNTVAYFRDILGQDFKSVDPTHNHASAHPQEAGDNVVF
TIKDKAEEDAEPSTLTVSEIATRYLRRLVGAASEYLGKKVTSAVITIPTN
FTEKQKAALIAAAAAADLEVLQLISEPAAAVLAYDARPEATISDKIIVVA
DLGGSRSDVTVLASRSGMYTILATVHDYEYHGIALDKVLIDHFSKEFLKK
NPGAKDPRENPRSLAKLRLEAESTKRALSRSTNASFSVESLIDGLDFAST
INRLRYETIARTVFEGFNRLVESAVKKAGLDPLDVDEVIMSGGTSNTPRI
AANFRYIFPESTRILAPSTDPSALNPSELQARGAALQASLIQEFETEDIE
QSTHAAVTTMPHVTNAIGVVSVSKFVPIIAPETAVPARRTVHGGDVLVKV
VEGSTHINVIKREKVWKIGSTLAEAAVRGVKKGAKVEVTINVNTDLTVIV
TAREV
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain5mb9 Chain A Residue 700 [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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PDB5mb9 Structural insights into a unique Hsp70-Hsp40 interaction in the eukaryotic ribosome-associated complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		N22 S23 N24 G213 G214 S215 R216 E282 K285 S289 G353 T354 N356
Binding residue
(residue number reindexed from 1)		N12 S13 N14 G203 G204 S205 R206 E272 K275 S279 G343 T344 N346
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T19 R80 E186 D211
Catalytic site (residue number reindexed from 1) T9 R70 E176 D201
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding
Cellular Component
GO:0005634 nucleus
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:5mb9, PDBe:5mb9, PDBj:5mb9
PDBsum5mb9
PubMed28067917
UniProtG0RZX9

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