Structure of PDB 7pr1 Chain B Binding Site BS02

Receptor Information
>7pr1 Chain B (length=587) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADWAIIKQMSRYLWPKDSWSDKARVLLALSLLVGGKVLNVHVPFYFREII
DRLNIDVAAVGGTVSAVAGAVIFAYGASRIGAVVSQELRNAVFSSVAQKA
IRRVATQTFGHLLNLDLSFHLSKQTGGLTRAIDRGTKGISYLLTSMVFHI
VPTALEIGMVCGILTYQFGWEFAAITAATMAAYTAFTITTTAWRTKFRRQ
ANAADNAASTVAVDSLINYEAVKYFNNEAYEIARYDKALQAYERSSIKVA
TSLAFLNSGQNIIFSSALTLMMWLGARGVLAGDLSVGDLVLINQLVFQLS
VPLNFLGSVYRELRQSLLDMETLFDLQKVNVTIREAPNAKPLALPKGGEI
RFENVTFGYYPDRPILRNLSLTIPAGKKVAVVGPSGCGKSTLLRLLFRSY
DPQQGKIFIDDQDIKSVTLESLRKSIGVVPQDTPLFNDTVELNIRYGNVN
ATQEQVIAAAQKAHIHEKIISWPHGYQTRVGERGLMISGGEKQRLAVSRL
ILKDPPLLFFDQATSALDTHTEQALMANINEVVKEKKRTALFVAHRLRTI
YDADLIIVLKEGVVVEQGSHRELMERDGVYAELWMAQ
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 chain7pr1 Chain B Residue 801 [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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PDB7pr1 Structures of Atm1 provide insight into [2Fe-2S] cluster export from mitochondria.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		Y450 I456 S476 G477 G479 K480 S481 Q522 H636
Binding residue
(residue number reindexed from 1)		Y359 I365 S385 G386 G388 K389 S390 Q431 H545
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006879 intracellular iron ion homeostasis
GO:0055085 transmembrane transport
Cellular Component
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7pr1, PDBe:7pr1, PDBj:7pr1
PDBsum7pr1
PubMed35896548
UniProtG0SBE6

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