Structure of PDB 8kci Chain A Binding Site BS04

Receptor Information
>8kci Chain A (length=1203) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSKHQHPVDNAGLFSCMTFSWLSSLARVAHKKGELSMEDVWSLSKHESSD
VNCRRLERLWQEELNEVGPDAASLRRVVWIFCRTRLILSIVCLMITQLAG
FSGPAFMVKHLLEYTQATESNLQYSLLLVLGLLLTEIVRSWSLALTWALN
YRTGVRLRGAILTMAFKKILKLKNIKEKSLGELINICSNDGQRMFEAAAV
GSLLAGGPVVAILGMIYNVIILGPTGFLGSAVFILFYPAMMFASRLTAYF
RRKCVAATDERVQKMNEVLTYIKFIKMYAWVKAFSQSVQKIREEERRILE
KAGYFQSITVGVAPIVVVIASVVTFSVHMTLGFDLTAAQAFTVVTVFNSM
TFALKVTPFSVKSLSEASVAVDRFKSLFLMEEVHMIKNKPASPHIKIEMK
NATLAWDLRLQRTLHSIDLEIQEGKLVGICGSVGSGKTSLISAILGQMTL
LEGSIAISGTFAYVAQQAWILNATLRDNILFGKEYDEERYNSVLNSCCLR
PDLAILPSSDLTEIGERGANLSGGQRQRISLARALYSDRSIYILDDPLSA
LCAHVGNHIFNSAIRKHLKSKTVLFVTHQLQYLVDCDEVIFMKEGCITER
GTHEELMNLNGDYATIFNNLLEEKGQGSVPWSVYGVYIQAAGGPLAFLVI
MALFMLNVGSTAFSTWWLSYWIKQGSGNTTVPHMQYYASIYALSMAVMLI
LKAIRGVVFVKGTLRASSRLHDELFRRILRSPMKFFDTTPTGRILNRFSK
DMDEVDVRLPFQAEMFIQNVILVFFCVGMIAGVFPWFLVAVGPLVILFSV
LHIVSRVLIRELKRLDNITQSPFLSHITSSIQGLATIHAYNKGQEFLHRY
QELLDDNQAPFFLFTCAMRWLAVRLDLISIALITTTGLMIVLMHGQIPPA
YAGLAISYAVQLTGLFQFTVRLASETEARFTSVERINHYIKTLSLEAPAR
IKNKAPSPDWPQEGEVTFENAEMRYRENLPLVLKKVSFTIKPKEKIGIVG
RTGSGKSSLGMALFRLVELSGGCIKIDGVRISDIGLADLRSKLSIIPQEP
VLFSGTVRSNLDPFNQYTEDQIWDALERTHMKECIAQLPLKLESEVMENG
DNFSVGERQLLCIARALLRHCKILILDQATAAMDTETDLLIQETIREAFA
DCTMLTIACRLHTVLGSDRIMVLAQGQVVEFDTPSVLLSNDSSRFYAMFA
AAE
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 chain8kci Chain A Residue 1604 [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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PDB8kci Inhibition and transport mechanisms of the ABC transporter hMRP5.
Resolution3.94 Å
Binding residue
(original residue number in PDB)		K1233 S1234
Binding residue
(residue number reindexed from 1)		K1006 S1007
Annotation score1
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008514 organic anion transmembrane transporter activity
GO:0008559 ABC-type xenobiotic transporter activity
GO:0015216 purine nucleotide transmembrane transporter activity
GO:0015232 heme transmembrane transporter activity
GO:0015562 efflux transmembrane transporter activity
GO:0022884 macromolecule transmembrane transporter activity
GO:0034634 glutathione transmembrane transporter activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0042910 xenobiotic transmembrane transporter activity
GO:0043225 ATPase-coupled inorganic anion transmembrane transporter activity
GO:0140359 ABC-type transporter activity
GO:1901505 carbohydrate derivative transmembrane transporter activity
Biological Process
GO:0006805 xenobiotic metabolic process
GO:0006855 xenobiotic transmembrane transport
GO:0015865 purine nucleotide transport
GO:0030213 hyaluronan biosynthetic process
GO:0034775 glutathione transmembrane transport
GO:0035351 heme transmembrane transport
GO:0042908 xenobiotic transport
GO:0055085 transmembrane transport
GO:0070730 cAMP transport
GO:0070731 cGMP transport
GO:0098656 monoatomic anion transmembrane transport
GO:0098838 folate transmembrane transport
GO:0140115 export across plasma membrane
GO:0150104 transport across blood-brain barrier
Cellular Component
GO:0005768 endosome
GO:0005794 Golgi apparatus
GO:0005796 Golgi lumen
GO:0005886 plasma membrane
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8kci, PDBe:8kci, PDBj:8kci
PDBsum8kci
PubMed38844452
UniProtO15440|MRP5_HUMAN ATP-binding cassette sub-family C member 5 (Gene Name=ABCC5)

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