Structure of PDB 7y48 Chain B Binding Site BS01

Receptor Information
>7y48 Chain B (length=567) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEARKLLGLAYPERRRLAAAVGFLTMSSVISMSAPFFLGKIIDVIYTNPT
VDYSDNLTRLCLGLSAVFLCGAAANAIRVYLMQTSGQRIVNRLRTSLFSS
ILRQEVAFFDKTRTGELINRLSSDTALLGRSVTENLSDGLRAGAQASVGI
SMMFFVSPNLATFVLSVVPPVSIIAVIYGRYLRKLTKVTQDSLAQATQLA
EERIGNVRTVRAFGKEMTEIEKYASKVDHVMQLARKEAFARAGFFGATGL
SGNLIVLSVLYKGGLLMGSAHMTVGELSSFLMYAFWVGISIGGLSSFYSE
LMKGLGAGGRLWELLEREPKLPFNEGVILNEKSFQGALEFKNVHFAYPAR
PEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLD
GHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQ
RVAEVANAVAFIRNFPQGFNTVVGVLLSGGQKQRIAIARALLKNPKILLL
DQATSALDAENEYLVQEALDRLMDGRTVLVIAHRLSTIKNANMVAVLDQG
KITEYGKHEELLSKPNG
Ligand information
Ligand IDIE5
InChIInChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-
InChIKeyQBUVFDKTZJNUPP-BBROENKCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1c([nH]c(\C=C2/N=C(\C=C3/NC(=O)C(=C3C)C=C)C(=C2CCC(O)=O)C)c1CCC(O)=O)/C=C/4NC(=O)C(=C/4C=C)C
OpenEye OEToolkits 2.0.7Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C)C=C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O
CACTVS 3.385Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C)C=C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C=C)C
OpenEye OEToolkits 2.0.7Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O
FormulaC33 H34 N4 O6
NameBiliverdine IX Alpha;
3-[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
ChEMBLCHEMBL455477
DrugBankDB02073
ZINCZINC000053276076
PDB chain7y48 Chain B Residue 802 [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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PDB7y48 Cryo-EM structures of mitochondrial ABC transporter ABCB10 in apo and biliverdin-bound form
Resolution2.85 Å
Binding residue
(original residue number in PDB)		V325 T402 G406 I409
Binding residue
(residue number reindexed from 1)		V171 T248 G252 I255
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7y48, PDBe:7y48, PDBj:7y48
PDBsum7y48
PubMed37041204
UniProtQ9NRK6|ABCBA_HUMAN ATP-binding cassette sub-family B member 10, mitochondrial (Gene Name=ABCB10)

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