Structure of PDB 7ekl Chain A Binding Site BS02

Receptor Information
>7ekl Chain A (length=590) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TWRDFGRKLRLLSGYLWPRGSPALQLVVLICLGLMGLERALNVLVPIFYR
NIVNLLTEKAPWNSLAWTVTSYVFLKFLQGGGTGSTGFVSNLRTFLWIRV
QQFTSRRVELLIFSHLHELSLRWHLGRRTGEVLRIADRGTSSVTGLLSYL
VFNVIPTLADIIIGIIYFSMFFNAWFGLIVFLCMSLYLTLTIVVTEWRTK
FRRAMNTQENATRARAVDSLLNFETVKYYNAESYEVERYREAIIKYQGLE
WKSSASLVLLNQTQNLVIGLGLLAGSLLCAYFVTEQKLQVGDYVLFGTYI
IQLYMPLNWFGTYYRMIQTNFIDMENMFDLLKEETEVKDLPGAGPLRFQK
GRIEFENVHFSYADGRETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLF
RFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYG
RVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAI
ARTILKAPGIILLDQATSALDTSNERAIQASLAKVCANRTTIVVAHRLST
VVNADQILVIKDGCIVERGRHEALLSRGGVYADMWQLQQG
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 chain7ekl Chain A Residue 902 [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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PDB7ekl Molecular insights into the human ABCB6 transporter.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S630 Q671
Binding residue
(residue number reindexed from 1)		S393 Q434
Annotation score1
Enzymatic activity
Enzyme Commision number 7.6.2.5: ABC-type heme transporter.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015439 ABC-type heme transporter activity
GO:0015562 efflux transmembrane transporter activity
GO:0016887 ATP hydrolysis activity
GO:0020037 heme binding
GO:0046906 tetrapyrrole binding
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006778 porphyrin-containing compound metabolic process
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0006785 heme B biosynthetic process
GO:0006878 intracellular copper ion homeostasis
GO:0006879 intracellular iron ion homeostasis
GO:0007420 brain development
GO:0015886 heme transport
GO:0033013 tetrapyrrole metabolic process
GO:0035351 heme transmembrane transport
GO:0042168 heme metabolic process
GO:0043588 skin development
GO:0055085 transmembrane transport
GO:0098849 cellular detoxification of cadmium ion
GO:1903232 melanosome assembly
Cellular Component
GO:0000139 Golgi membrane
GO:0005576 extracellular region
GO:0005654 nucleoplasm
GO:0005739 mitochondrion
GO:0005740 mitochondrial envelope
GO:0005741 mitochondrial outer membrane
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005768 endosome
GO:0005774 vacuolar membrane
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0031901 early endosome membrane
GO:0031902 late endosome membrane
GO:0032585 multivesicular body membrane
GO:0033162 melanosome membrane
GO:0036020 endolysosome membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ekl, PDBe:7ekl, PDBj:7ekl
PDBsum7ekl
PubMed34312373
UniProtQ9NP58|ABCB6_HUMAN ATP-binding cassette sub-family B member 6 (Gene Name=ABCB6)

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