Structure of PDB 7pru Chain B Binding Site BS01

Receptor Information
>7pru Chain B (length=582) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIIKQMSRYLWPKDSWSDKARVLLALSLLVGGKVLNVHVPFYFREIIDRL
NIDVAAVGGTVSAVAGAVIFAYGASRIGAVVSQELRNAVFSSVAQKAIRR
VATQTFGHLLNLDLSFHLSKQTGGLTRAIDRGTKGISYLLTSMVFHIVPT
ALEIGMVCGILTYQFGWEFAAITAATMAAYTAFTITTTAWRTKFRRQANA
ADNAASTVAVDSLINYEAVKYFNNEAYEIARYDKALQAYERSSIKVATSL
AFLNSGQNIIFSSALTLMMWLGARGVLAGDLSVGDLVLINQLVFQLSVPL
NFLGSVYRELRQSLLDMETLFDLQKVNVTIREAPNAKPLALPKGGEIRFE
NVTFGYYPDRPILRNLSLTIPAGKKVAVVGPSGCGKSTLLRLLFRSYDPQ
QGKIFIDDQDIKSVTLESLRKSIGVVPQDTPLFNDTVELNIRYGNVNATQ
EQVIAAAQKAHIHEKIISWPHGYQTRVGERGLMISGGEKQRLAVSRLILK
DPPLLFFDQATSALDTHTEQALMANINEVVKEKKRTALFVAHRLRTIYDA
DLIIVLKEGVVVEQGSHRELMERDGVYAELWM
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain7pru 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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PDB7pru Structures of Atm1 provide insight into [2Fe-2S] cluster export from mitochondria.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R285 R289 L347 Q351 N395 G398 S399 R402
Binding residue
(residue number reindexed from 1)		R191 R195 L253 Q257 N301 G304 S305 R308
Annotation score1
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
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:7pru, PDBe:7pru, PDBj:7pru
PDBsum7pru
PubMed35896548
UniProtG0SBE6

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