Structure of PDB 8e5a Chain A Binding Site BS01

Receptor Information

>8e5a Chain A (length=1230) Species: 9606 (Homo sapiens)

SIVEWKPFDIFILLAIFANCVALAIYIPFPEDDSNSTNHNLEKVEYAFLI
IFTVETFLKIIYVRNGWNLLDFVIVIVGLFSVILEQLTDVKALRAFRVLR
PLRLVSGVPSLQVVLNSIIKAMVPLLHIALLVLFVIIIYAIIGLELFIGK
MHKTCFFADSDIVAEEDPAPCAFSGNGRQCTANGTECRSGWVGPNGGITN
FDNFAFAMLTVFQCITMEGWTDVLYWMNDAMGFELPWVYFVSLVIFGSFF
VLNLVLGVLSGEFSKEREKAKARGDFQKLREKQQLEEDLKGYLDWITQAE
DCRAAVKSVTFYWLVIVLVFLNTLTISSEHYNQPDWLTQIQDIANKVLLA
LFTCEMLVKMYSLGLQAYFVSLFNRFDCFVVCGGITETILVELEIMSPLG
ISVFRCVRLLRIFKVTRHWTSLSNLVASLLNSMKSIASLLLLLFLFIIIF
SLLGMQLFGGKFNFDETQTKRSTFDNFPQALLTVFQILTGEDWNAVMYDG
IMAYGGPSSSGMIVCIYFIILFICGNYILLNVFLAIAVDNLADAESLNTA
QKEEAEEKIRVGCHKLINHHIFTNLILVFIMLSSAALAAEDPIRSHSFRN
TILGYFDYAFTAIFTVEILLKMTTFGNYFNLLDMLVVGVSLVSFVVKILR
VLRVLRPLRAINRAKGLKHVVQCVFVAIRTIGNIMIVTTLLQFMFACIGV
QLFKGKFYRCTDEAKSNPEECRGLFILYKDGDVDSPVVRERIWQNSDFNF
DNVLSAMMALFTVSTFEGWPALLYKAIDSNGENIGPIYNHRVEISIFFII
YIIIVAFFMMNIFVGFVIVTFQEQGEKEYKNCELDKNQRQCVEYALKARP
LRRYIPKNPYQYKFWYVVNSSPFEYMMFVLIMLNTLCLAMQHYEQSKMFN
DAMDILNMVFTGVFTVEMVLKVIAFKPKGYFSDAWNTFDSLIVIGSIIDV
ALSESITFFRLFRVMRLVKLLSRGEGIRTLLWTFIKSFQALPYVALLIAM
LFFIYAVIGMQMFGKVAMRDNNQINRNNNFQTFPQAVLLLFRCATGEAWQ
EIMLACLPGKLCDPESDYNPGEEYTCGSNFAIVYFISFYMLCAFLIINLF
VAVIMDNFDYLTRDWSILGPHHLDEFKRIWSEYDPEAKGRIKHLDVVTLL
RRIQPPLGFGKLCPHRVACKRLVAMNMPLNSDGTVMFNATLFALVRTALK
IKTEGNLEQANEELRAVIKKIWKKTSMKLL

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 8e5a Chain A Residue 2201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8e5a Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): E364 E705 E1101
• Binding residue (residue number reindexed from 1): E218 E491 E767
• Annotation score: 5

Gene Ontology

Molecular Function

• GO:0005216 monoatomic ion channel activity
• GO:0005245 voltage-gated calcium channel activity
• GO:0005262 calcium channel activity
• GO:0005515 protein binding
• GO:0008331 high voltage-gated calcium channel activity
• GO:0030506 ankyrin binding
• GO:0046872 metal ion binding
• GO:0051393 alpha-actinin binding
• GO:0086007 voltage-gated calcium channel activity involved in cardiac muscle cell action potential
• GO:0086059 voltage-gated calcium channel activity involved SA node cell action potential

Biological Process

• GO:0006811 monoatomic ion transport
• GO:0006816 calcium ion transport
• GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
• GO:0007605 sensory perception of sound
• GO:0045762 positive regulation of adenylate cyclase activity
• GO:0051928 positive regulation of calcium ion transport
• GO:0055085 transmembrane transport
• GO:0060372 regulation of atrial cardiac muscle cell membrane repolarization
• GO:0070509 calcium ion import
• GO:0070588 calcium ion transmembrane transport
• GO:0086002 cardiac muscle cell action potential involved in contraction
• GO:0086012 membrane depolarization during cardiac muscle cell action potential
• GO:0086046 membrane depolarization during SA node cell action potential
• GO:0086091 regulation of heart rate by cardiac conduction
• GO:0098703 calcium ion import across plasma membrane
• GO:1901016 regulation of potassium ion transmembrane transporter activity
• GO:1901379 regulation of potassium ion transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0005891 voltage-gated calcium channel complex
• GO:0016020 membrane
• GO:0030018 Z disc
• GO:0034702 monoatomic ion channel complex
• GO:1990454 L-type voltage-gated calcium channel complex

External links

• PDB: RCSB:8e5a, PDBe:8e5a, PDBj:8e5a
• PDBsum: 8e5a
• PubMed: 36417914
• UniProt: Q01668|CAC1D_HUMAN Voltage-dependent L-type calcium channel subunit alpha-1D (Gene Name=CACNA1D)