Structure of PDB 8pdu Chain B Binding Site BS01

Receptor Information
>8pdu Chain B (length=1022) Species: 7668 (Strongylocentrotus purpuratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHAPKVIVFISGSCLFGAISRSLFKKLPIPYTVVLLILGAILGVVASNVP
LVEEHTRDVAHMDPHVLLQIFLPVLIFESAFAMDVHTFMRSFSQVCILAL
FGLVVASVLTAVLAMNLFNYNWNFSEAMMFGAIMSATDPVAVVALLKDLG
ASKQLGTIIEGESLLNDGCAIVIFNVFMKMVFFPQLTSTVGQNVLYFLQV
AVAGPLWGYAVAKVTVFFLSHIFNDALVEITITLAATYLTYYIGDIWLEV
SGVLAVVVLGLIVNAEKTSISPEVEVFLHRFWEMLAYLANTLIFMMVGVV
VTQKALVAVDKMDWFYLIILYLAITIIRGMVISLFSPILSRIGYGLTWRN
AVIMTWGGLRGAVGLALALVVENLAGNDVIGSKFLFHTAGIVVLTLVINA
TTIQTLLRILGMSDISIPKRLAMAGAVRRIHEGQNRTLNMLKSDRFLADA
DWDIATAACEISDPYSSPREFADMMEEARLRMLKAEKISYWKQFEHGMLA
REALRLLVQHAEVAADEKDQFILVDDLKKSWQIKGIYPWLKRKLEDLISE
KKIAKLMYKICHHMAFEVTINIAIVLNIVPIIMEFVVQDKMALQKIEDAL
RISNYVFFVIYAIEAIVKILGLGRHYIVSHWNKFDAFILVVALVDIIIKV
VKLFRLLRGLRMLRLTKALIPKLILVVNGKINNQLSLGYDVGKGYIIGEE
EVGKIIDRMVDNKKILRELKHISETGRLQVVKELGLLQREHPGIAVSVKT
RQAIRTILNHSRETIHELQGAGLLDEMEAHKLELTVEIKMKRLMNAPSSI
PPPPPENLLKNVSWLAGDMKLIDFIKARASLLHFDYGEVIVREGDESDGL
FLIVSGLVKLYFEDYLTVGNVIGEMGVLTKKPRNATVTCETTVQVYFITA
EDMNIAIDTFTLYPSLEYRLWRVVAIRIATPLIMEQMAFQGWTQEKVKLH
LERGYLVDLAESHFQFNIDATLEDVILINGTAYNAHTREEIRSPCLISRT
VHKLTFQYTATEEPRLFVVRNA
Ligand information
Ligand IDPCG
InChIInChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKeyZOOGRGPOEVQQDX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(NC2=O)N
ACDLabs 10.04O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
FormulaC10 H12 N5 O7 P
NameCYCLIC GUANOSINE MONOPHOSPHATE
ChEMBLCHEMBL395336
DrugBankDB02315
ZINCZINC000004095501
PDB chain8pdu Chain B Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8pdu Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Resolution3.22 Å
Binding residue
(original residue number in PDB)		L1008 G1043 M1045 R1053 N1054 A1055 R1097
Binding residue
(residue number reindexed from 1)		L860 G873 M875 R883 N884 A885 R927
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015297 antiporter activity
GO:0015385 sodium:proton antiporter activity
Biological Process
GO:0006812 monoatomic cation transport
GO:0055085 transmembrane transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8pdu, PDBe:8pdu, PDBj:8pdu
PDBsum8pdu
PubMed37880361
UniProtA3RL54|SL9C1_STRPU Sperm-specific sodium:proton exchanger (Gene Name=SLC9C1)

[Back to BioLiP]