Structure of PDB 7dnz Chain B Binding Site BS02

Receptor Information
>7dnz Chain B (length=591) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSTWRDFGRKLRLLSGYLWPRGSPALQLVVLICLGLMGLERALNVLVPIF
YRNIVNLLTEKAPWNSLAWTVTSYVFLKFLQGGGTGSTGFVSNLRTFLWI
RVQQFTSRRVELLIFSHLHELSLRWHLGRRTGEVLRIADRGTSSVTGLLS
YLVFNVIPTLADIIIGIIYFSMFFNAWFGLIVFLCMSLYLTLTIVVTEWR
TKFRRAMNTQENATRARAVDSLLNFETVKYYNAESYEVERYREAIIKYQG
LEWKSSASLVLLNQTQNLVIGLGLLAGSLLCAYFVTEQKLQVGDYVLFGT
YIIQLYMPLNWFGTYYRMIQTNFIDMENMFDLLKEETEVKDLPGAGPLRF
QKGRIEFENVHFSYADGRETLQDVSFTVMPGQTLALVGPSGAGKSTILRL
LFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIR
YGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRV
AIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRL
STVVNADQILVIKDGCIVERGRHEALLSRGGVYADMWQLQQ
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain7dnz Chain B Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dnz Structural Insights into Porphyrin Recognition by the Human ATP-Binding Cassette Transporter ABCB6.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		R439 N545 T549 R552
Binding residue
(residue number reindexed from 1)		R204 N310 T314 R317
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:7dnz, PDBe:7dnz, PDBj:7dnz
PDBsum7dnz
PubMed35950458
UniProtQ9NP58|ABCB6_HUMAN ATP-binding cassette sub-family B member 6 (Gene Name=ABCB6)

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