Structure of PDB 7jm6 Chain A Binding Site BS01

Receptor Information
>7jm6 Chain A (length=667) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSLKYESLDYDNSENQLFLEEERRINHAAFRTVEIKRWVICAMIGILTGL
VACFIDIVVENLAGLKYRVVKDNIDKFTEKGGLSFSLLLWATLNASVVMV
GSVIVAFIEPVAAGSGIPQIKCYLNGVKIPHVVRLKTLVIKVCGVILSVV
GGLAVGKEGPMIHSGAVIAAGISQGRSTSLKRDFKIFEYFRRDTEKRDFV
SAGAAAGVSAAFGAPVGGVLFSLEEGASFWNQFLTWRIFFASMISTFTLN
SVLSVYHGNAWDLSSPGLINFGRFDSEKMGYTIQEIPIFIFMGVVGGILG
ALFNALNYWLTMFRIRYIHRPCLQVIEAMLVAAVTAAVGFVMIYCSRAFF
NTPEKSVVNLFHDPPGSYNPMTLGMFTLMYFFLACWTYGLTVSAGVFIPS
LLIGAAWGRLFGISLSYLSKGSIWADPGKYALMGAAAQLGGIVRMTLSLT
VIMMEATGNVTYGFPIMLVLMTAKIVGDYFVEGLYDMHIQLQSVPFLHWE
APVTSHSLTAREVMSTPVTCLRRIERVGTVVDILSDTSSNHNGFPVVESN
PNTTQVAGLRGLILRSQLIVLLKHKVFVERRLKLKDFRDAYPRFPPIQSI
HVSQDERECMIDLSEFMNPSPYTVPREASLPRVFKLFRALGLRHLVVVNN
HNEVVGMVTRKDLARYR
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 chain7jm6 Chain A Residue 901 [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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PDB7jm6 Cryo-EM structure of the lysosomal chloride-proton exchanger CLC-7 in complex with OSTM1.
Resolution2.92 Å
Binding residue
(original residue number in PDB)		E90 S91 S627 V630 T631 N652 H653 N654 R763 T779 D782
Binding residue
(residue number reindexed from 1)		E6 S7 S515 V518 T519 N540 H541 N542 R643 T659 D662
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005247 voltage-gated chloride channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006821 chloride transport
GO:0055085 transmembrane transport
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7jm6, PDBe:7jm6, PDBj:7jm6
PDBsum7jm6
PubMed32749217
UniProtQ5ZL60

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