Structure of PDB 5mb9 Chain B Binding Site BS02

Receptor Information
>5mb9 Chain B (length=491) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERVVIGITFGNSNSSIAHTVDDKAEVIANEDGDRQIPTILSYVDGDEYYG
QQAKNFLVRNPKNTVAYFRDILGQDFKSVDPTHNHASAHPQEAGDNVVFT
IKDKAEEDAEPSTLTVSEIATRYLRRLVGAASEYLGKKVTSAVITIPTNF
TEKQKAALIAAAAAADLEVLQLISEPAAAVLAYDARPEATISDKIIVVAD
LGGSRSDVTVLASRSGMYTILATVHDYEYHGIALDKVLIDHFSKEFLKKN
PGAKDPRENPRSLAKLRLEAESTKRALSRSTNASFSVESLIDGLDFASTI
NRLRYETIARTVFEGFNRLVESAVKKAGLDPLDVDEVIMSGGTSNTPRIA
ANFRYIFPESTRILAPSTDPSALNPSELQARGAALQASLIQEFETEDIEQ
STHAAVTTMPHVTNAIGVVSVSFVPIIAPETAVPARRTVHVLVKVVEGST
HINVREKVWKIGSTLAEAAVKVEVTINVNTDLTVIVTAREV
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 B Residue 601 [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 G214 S215 R216 E282 K285 R286 S289 G352 G353 T354 N356
Binding residue
(residue number reindexed from 1)		N11 S12 N13 G203 S204 R205 E271 K274 R275 S278 G341 G342 T343 N345
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T19 R80 E186 D211
Catalytic site (residue number reindexed from 1) T8 R69 E175 D200
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
View graph for
Cellular Component
External links
PDB RCSB:5mb9, PDBe:5mb9, PDBj:5mb9
PDBsum5mb9
PubMed28067917
UniProtG0RZX9

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