Structure of PDB 7op1 Chain A Binding Site BS01

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7op1 Chain A Residue 1401 [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)		D680 G683 D1095
Binding residue
(residue number reindexed from 1)		D454 G457 D800
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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