Structure of PDB 1qab Chain E Binding Site BS01

Receptor Information
>1qab Chain E (length=180) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CAVSSFRVKENFDKARFSGTWYAMAKKDPEGLFLQDNIVAEFSVDETGQM
SATAKGRVRLLNNWDVCADMVGTFTDTEDPAKFKMKYWGVASFLQKGNDD
HWIVDTDYDTYAVQYSCRLLNLDGTCADSYSFVFSRDPNGLPPEAQKIVA
QRQEELCLAAQYRLIVHNGYCDGRSERNLL
Ligand information
Ligand IDRTL
InChIInChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyFPIPGXGPPPQFEQ-OVSJKPMPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
ACDLabs 12.01C1(CCCC(=C1\C=C\C(=C\C=C\C(=C\CO)C)C)C)(C)C
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C
CACTVS 3.385CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
FormulaC20 H30 O
NameRETINOL
ChEMBLCHEMBL986
DrugBankDB00162
ZINCZINC000003831417
PDB chain1qab Chain E Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qab The structure of human retinol-binding protein (RBP) with its carrier protein transthyretin reveals an interaction with the carboxy terminus of RBP.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		F36 A57 M73
Binding residue
(residue number reindexed from 1)		F33 A54 M70
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005501 retinoid binding
GO:0005515 protein binding
GO:0016918 retinal binding
GO:0019841 retinol binding
GO:0034632 retinol transmembrane transporter activity
Biological Process
GO:0001654 eye development
GO:0002639 positive regulation of immunoglobulin production
GO:0006094 gluconeogenesis
GO:0007507 heart development
GO:0007601 visual perception
GO:0030277 maintenance of gastrointestinal epithelium
GO:0030324 lung development
GO:0032024 positive regulation of insulin secretion
GO:0032526 response to retinoic acid
GO:0034633 retinol transport
GO:0042572 retinol metabolic process
GO:0042593 glucose homeostasis
GO:0048562 embryonic organ morphogenesis
GO:0048706 embryonic skeletal system development
GO:0048738 cardiac muscle tissue development
GO:0048807 female genitalia morphogenesis
GO:0060044 negative regulation of cardiac muscle cell proliferation
GO:0060059 embryonic retina morphogenesis in camera-type eye
GO:0060065 uterus development
GO:0060068 vagina development
GO:0060157 urinary bladder development
GO:0060347 heart trabecula formation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
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:1qab, PDBe:1qab, PDBj:1qab
PDBsum1qab
PubMed10052934
UniProtP02753|RET4_HUMAN Retinol-binding protein 4 (Gene Name=RBP4)

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