Structure of PDB 8xq7 Chain B Binding Site BS01

Receptor Information
>8xq7 Chain B (length=1041) Species: 7668 (Strongylocentrotus purpuratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APKVIVFISGSCLFGAISRSLFKKLPIPYTVVLLILGAILGVVASNVPLV
EEHTRDVAHMDPHVLLQIFLPVLIFESAFAMDVHTFMRSFSQVCILALFG
LVVASVLTAVLAMNLFNYNWNFSEAMMFGAIMSATDPVAVVALLKDLGAS
KQLGTIIEGESLLNDGCAIVIFNVFMKMVFFPQLTSTVGQNVLYFLQVAV
AGPLWGYAVAKVTVFFLSHIFNDALVEITITLAATYLTYYIGDIWLEVSG
VLAVVVLGLIVNAEKTSISPEVEVFLHRFWEMLAYLANTLIFMMVGVVVT
QKALVAVDKMDWFYLIILYLAITIIRGMVISLFSPILSRIGYGLTWRNAV
IMTWGGLRGAVGLALALVVENLAGNDVIGSKFLFHTAGIVVLTLVINATT
IQTLLRILGMSDISIPKRLAMAGAVRRIHEGQNRTLNMLKSDRFLADADW
DIATAACEISDPYSADELTLGERKSVCPGCKAMVPNEPSPREFADMMEEA
RLRMLKAEKISYWKQFEHGMLAREALRLLVQHAEVAADEKDQFILVDDLK
KSWQIKGIYPWLKRKLEDLISAFEVTINIAIVLNIVPIIMEFQKIEDALR
ISNYVFFVIYAIEAIVKILGSHWNKFDAFILVVALVDVVKLFRLLRGLRM
LRLTKALIPKLILVVNGKINNQLSLGYDVGKGYIIGEEEVGKIIDRMVDN
KKILRELKHISETGRLQVVKELGLLQREHPGIAVSVKTRQAIRTILNHSR
ETIHELQGAGLLDEMEAHKLELTVEIKMKRLMNAPSSIPPPPPENLLKNV
SWLAGDMKLIDFIKARASLLHFDYGEVIVREGDESDGLFLIVSGLVKLYG
KVFEDYLTVGNVIGEMGVLTKKPRNATVTCETTVQVYFITAEDMNIAIDT
FTLYPSLEYRLWRVVAIRIATPLIMEQMAFQGWTQEKVKLHLERGYLVDL
AESHFQFNIDATLEDVILINGTAYNAHTREEIRSPCLISRTVHKLTFQYT
ATEEPRLFVVRNAEPILDGRLDVDSKRSLISITEISSNMCL
Ligand information
Ligand IDCMP
InChIInChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyIVOMOUWHDPKRLL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
FormulaC10 H12 N5 O6 P
NameADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP
ChEMBLCHEMBL316966
DrugBankDB02527
ZINCZINC000003873977
PDB chain8xq7 Chain B Residue 2001 [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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PDB8xq7 Structures of a sperm-specific sodium-hydrogen exchanger.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		L1008 F1032 G1043 M1045 G1046 R1053 N1054 A1055 R1097
Binding residue
(residue number reindexed from 1)		L848 F853 G864 M866 G867 R874 N875 A876 R918
Annotation score1
Gene Ontology
Molecular Function
GO:0015297 antiporter activity
GO:0015385 sodium:proton antiporter activity
GO:0015386 potassium:proton antiporter activity
GO:0030552 cAMP binding
GO:0030553 cGMP binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006814 sodium ion transport
GO:0007338 single fertilization
GO:0019933 cAMP-mediated signaling
GO:0051453 regulation of intracellular pH
GO:0071805 potassium ion transmembrane transport
GO:0098719 sodium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0031514 motile cilium
GO:0036126 sperm flagellum
GO:0061827 sperm head

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8xq7, PDBe:8xq7, PDBj:8xq7
PDBsum8xq7
PubMed38957574
UniProtA3RL54|SL9C1_STRPU Sperm-specific sodium:proton exchanger (Gene Name=SLC9C1)

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