Structure of PDB 7op1 Chain A Binding Site BS03

Receptor Information
>7op1 Chain A (length=1098) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRSSQKMRLDNDDLTIAISGFITNRIGFAIYIVLCVLTGGIAWLFLRWYP
KYYVKLVGCATPFRDCQWVVIEDHFNKMTILSIRVKPYNRPLSTVFGPVL
RELRSITYCYYKFYYHPVLDKFFCCNGWKDPQWNSMQNARSGLHGDEKAH
REAVFGPNSIDVDEQSILQLLVSEILTPFYAFQVFSLILWLCDEYYYYAA
AILLISAGSIITSLLETKETRRRLREMSRFECEVRVFRGGFWRTFPSSDL
VPGDVYEVSDPSLTQIPADSLLLTGDCIVNESMLTGESVAVSKTPATNET
LAKLNPAASTFSHDVDKHFLYCGTKLIRARAAVALVVRTGFNTTRGALVR
SMLVPKPSKFKFYEDSFRYLKVMGCLAGLAFIVSLVNFIRLKLHWTLILL
RALDLLTIVVPPALPATLTIGTSFAVQRLKGKKIFCTSPQRVNVGGKIDL
MCFDKTGTLTEEGLDVLGIRVASRVSNRFTELLTNVDDLTWSCDPLDPYR
AALYVMASCHSLRIVDGVAVGDPLEVKMFEFTGWSYFIAGEVISAPPAVG
VLRAFDFNPLLRRSSVIARVVGNSGGYALVKGSPECMPEICRPETLPSDF
DELLSYYTHAGYRVIACATKRIPKLNLVSVNRMTRDEVESGLDFVGFIIF
ENKLKPTTTSVIKELLSSNIGTVMITGDNIRTAVSVARQCGIIEEHAHCY
MPRFIEGNADDCNAKLRWESINNPALELDPTDASLPYDIRNYAIAVTGDV
FRWIVDHAPTDVLHRMLVLGKVYARMSPDEKQELVKKFQSIDYSCGFCGD
GANDCAALKAADVGISLSEAEASVAAPFTSQIFDIRCVPEVIREGRASLV
TSFSCFKYMSLYSFIQFTSVSFLYVSASNLGDFQFLYIDLMLILPIAVFM
SWAGPHSKLCAKRPVSDLVSRKVLVPLLSHVFVCVMIQALAWVAVRQQPW
YIPPIVDTEKSNIENSENTTLFFASCFEYILSGVVLNAGRPFRQSPLETW
PFLSAVAVTLIATLLMLLVPPYWLFEFMQLTWMSWTFKITLIAFGFVYFL
IAWTGEHYLFLWLARFLGRMRQRLFKQPKQRKLYKIVKEKLVFENLYF
Ligand information
Ligand IDSPM
InChIInChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKeyPFNFFQXMRSDOHW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		NCCCNCCCCNCCCN
OpenEye OEToolkits 1.5.0C(CCNCCCN)CNCCCN
FormulaC10 H26 N4
NameSPERMINE
ChEMBLCHEMBL23194
DrugBankDB00127
ZINCZINC000001532734
PDB chain7op1 Chain A Residue 1403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7op1 Structure and transport mechanism of P5B-ATPases.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		W407 D410 Y412 I634 F1180
Binding residue
(residue number reindexed from 1)		W190 D193 Y195 I408 F885
Annotation score1
Enzymatic activity
Enzyme Commision number 7.2.2.-
Gene Ontology
Molecular Function
GO:0005215 transporter activity
GO:0005524 ATP binding
GO:0015662 P-type ion transporter activity
GO:0016887 ATP hydrolysis activity
GO:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0046872 metal ion binding
GO:0140358 P-type transmembrane transporter activity
Biological Process
GO:0006874 intracellular calcium ion homeostasis
GO:0055085 transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
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:7op1, PDBe:7op1, PDBj:7op1
PDBsum7op1
PubMed34172751
UniProtG0S7G9

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