Structure of PDB 8g8w Chain A Binding Site BS01

Receptor Information
>8g8w Chain A (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPTLGVQLFSAGIAACLADVITFPLDTAKVRLQVQGECPTSSVIRYKGVL
GTITAVVKTEGRMKLYSGLPAGLQRQISSASLRIGLYDTVQEFLTAGKET
APSLGSKILAGLTTGGVAVFIGQPTEVVKVRLQAQSHLHGIKPRYTGTYN
AYRIIATTEGLTGLWKGTTPNLMRSVIINCTELVTYDLMKEAFVKNNILA
DDVPCHLVSALIAGFCATAMSSPVDVVKTRFINSPPGQYKSVPNCAMKVF
TNEGPTAFFKGLVPSFLRLGSWNVIMFVCFEQLKRELSK
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain8g8w Chain A Residue 401 [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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PDB8g8w Structural basis of purine nucleotide inhibition of human uncoupling protein 1.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		K38 R84 Q85 R92 K138 R183 E191 L278
Binding residue
(residue number reindexed from 1)		K29 R75 Q76 R83 K129 R174 E182 L269
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0015078 proton transmembrane transporter activity
GO:0017077 oxidative phosphorylation uncoupler activity
GO:0019003 GDP binding
GO:0022857 transmembrane transporter activity
GO:0032555 purine ribonucleotide binding
GO:0036041 long-chain fatty acid binding
GO:1901612 cardiolipin binding
Biological Process
GO:0002024 diet induced thermogenesis
GO:0006357 regulation of transcription by RNA polymerase II
GO:0006839 mitochondrial transport
GO:0009266 response to temperature stimulus
GO:0009409 response to cold
GO:0031667 response to nutrient levels
GO:0032870 cellular response to hormone stimulus
GO:0034220 monoatomic ion transmembrane transport
GO:0034614 cellular response to reactive oxygen species
GO:0050873 brown fat cell differentiation
GO:0055085 transmembrane transport
GO:0070417 cellular response to cold
GO:0071398 cellular response to fatty acid
GO:0120162 positive regulation of cold-induced thermogenesis
GO:1902600 proton transmembrane transport
GO:1903426 regulation of reactive oxygen species biosynthetic process
GO:1903495 cellular response to dehydroepiandrosterone
GO:1990542 mitochondrial transmembrane transport
GO:1990845 adaptive thermogenesis
Cellular Component
GO:0005739 mitochondrion
GO:0005740 mitochondrial envelope
GO:0005743 mitochondrial inner membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8g8w, PDBe:8g8w, PDBj:8g8w
PDBsum8g8w
PubMed37256948
UniProtP25874|UCP1_HUMAN Mitochondrial brown fat uncoupling protein 1 (Gene Name=UCP1)

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