Structure of PDB 8jwi Chain A Binding Site BS03

Receptor Information
>8jwi Chain A (length=1164) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KISFFLPFKCLPAQHRKLLFISFVCAVLSGGTLPFFISVFGVILKNINPI
ILSLVSIGLVQFILSMISSYCMDVITSKILKTLKLEYLRSVFYQDGQFHD
NNPGSKLRSDLDFYLEQVSSGIGTKFITIFTYASSFLGLYIWSLIKNARL
TLCITCVFPLIYVCGVICNKKVKLNKKTSLLYNNNTMSIIEEALMGIRTV
ASYCGEKTILNKFNLSETFYSKYILKANFVEALHIGLINGLILVSYAFGF
WYGTRIIINSATNQGASVISILLGVLISMFMLTIILPNITEYMKALEATN
SLYEIINRKPLVENNDDGETLPNIKKIEFKNVRFHYDTRKDVEIYKDLSF
TLKEGKTYAFVGESGCGKSTILKLIERLYDPTEGDIIVNDSHNLKDINLK
WWRSKIGVVSQDPLLFSNSIKNNIKYSLYSLKDLEAMENYLEMKKEYQTI
KDSDVVDVSKKVLIHDFVSSLPDKYDTLVGSNASKLSGGQKQRISIARAI
MRNPKILILDQATSSLDNKSEYLVQKTINNLKGNENRITIIIAHRLSTIR
YANTIFVLSNRNEGSYIIEQGTHDSLMKNKNGIYHLMINNQKPNNLRIIY
KEIFSYKKDVTIIFFSILVAGGLYPVFALLYARYVSTLFDFANLEYNSNK
YSIYILLIAIAMFISETLKNYYNNKIGEKVEKTMKRRLFENILYQEMSFF
DQDKNTPGVLSAHINRDVHLLKTGLVNNIVIFSHFIMLFLVSMVMSFYFC
PIVAAVLTFIYFINMRVFAVRAFKDPSFLIQEAFYNMHTVINYGLEDYFC
NLIEKAIDYKNKGQKRRIIVNAALWGFSQSAQLFINSFAYWFGSFLIKRG
TILVDDFMKSLFTFIFTGSYAGKLMSLKGDSENAKLSFEKYYPLMIRKSN
IDVRDDGGIRINKNLIKGKVDIKDVNFRYISRPNVPIYKNLSFTCDSKKT
TAIVGETGSGKSTFMNLLLRFYDLNGEILLDDINICDYNLRDLRNLFSIV
SQEPMLFNMSIYENIKFGREDATLEDVKRVSKFAAIDEFIESLPNKYDTN
VGPYGKSLSGGQKQRIAIARALLREPKILLLDQATSSLDSNSEKLIEKTI
VDIKDKADKTIITIAHRIASIKRSDKIVVFNNPDRNGTFVQSHGTHDELL
SAQDGIYKKYVKLA
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 chain8jwi Chain A Residue 1503 [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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PDB8jwi The structure of Plasmodium falciparum multidrug resistance protein 1 reveals an N-terminal regulatory domain.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		S1168 Q1256
Binding residue
(residue number reindexed from 1)		S962 Q1002
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.3.44: Transferred entry: 7.6.2.2.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0020020 food vacuole

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jwi, PDBe:8jwi, PDBj:8jwi
PDBsum8jwi
PubMed37527341
UniProtQ7K6A5

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