Structure of PDB 7wcv Chain A Binding Site BS03

Receptor Information
>7wcv Chain A (length=432) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMTPKDDEFYQQWQLKYPKLILREASSVSEELHKEVQEAFLTLHKHGC
LFRDLVRIQGKDLLTPVSRILIGNPGCTYKYLNTRLFTVPWPVKTEAEIA
AACETFLKLNDYLQIETIQALEELAAKEKAQDEVDIKSRAAYNVTLLNFM
DPQKMPYLKEEPYFGMGKMAVSWHHDENLVDRSAVAVYSYSCEGRDPDIW
HVGFKISWDIETPGLAIPLHQGDCYFMLDDLNATHQHCVLAGSQPRFSST
HRVAECSTGTLDYILQRCQLALQNVCDDVDNDDVSLKSFEPAVLKQGEEI
HNEVEFEWLRQFWFQGNRYRKCTDWWCQPMAQLEALWKKMEGVTNAVLHE
VKREGLPVEQRNEILTAILASLTARQNLRREWHARCQSRIARTLPADQKP
ECRPYWEKDDASMPLPFDLTDIVSELRGQLLE
Ligand information
Ligand ID943
InChIInChI=1S/C18H12Cl2N2O2/c19-14-9-12(11-5-7-21-8-6-11)10-15(20)17(14)22-16-4-2-1-3-13(16)18(23)24/h1-10,22H,(H,23,24)
InChIKeyGSNZPZDSMBVGPU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)O)Nc2c(cc(cc2Cl)c3ccncc3)Cl
CACTVS 3.385OC(=O)c1ccccc1Nc2c(Cl)cc(cc2Cl)c3ccncc3
FormulaC18 H12 Cl2 N2 O2
Name2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid
ChEMBLCHEMBL4521076
DrugBank
ZINC
PDB chain7wcv Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wcv Structure-Activity Relationships and Antileukemia Effects of the Tricyclic Benzoic Acid FTO Inhibitors.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P93 Y108 V228 S229 H231 H232 D233 E234
Binding residue
(residue number reindexed from 1)		P66 Y81 V171 S172 H174 H175 D176 E177
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.-
1.14.11.53: mRNA N(6)-methyladenine demethylase.
Gene Ontology
Molecular Function
GO:0008198 ferrous iron binding
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0016740 transferase activity
GO:0035515 oxidative RNA demethylase activity
GO:0035516 broad specificity oxidative DNA demethylase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:1990931 mRNA N6-methyladenosine dioxygenase activity
GO:1990984 tRNA demethylase activity
Biological Process
GO:0001659 temperature homeostasis
GO:0006307 DNA alkylation repair
GO:0010883 regulation of lipid storage
GO:0016180 snRNA processing
GO:0040014 regulation of multicellular organism growth
GO:0042245 RNA repair
GO:0044065 regulation of respiratory system process
GO:0060612 adipose tissue development
GO:0061157 mRNA destabilization
GO:0070350 regulation of white fat cell proliferation
GO:0090335 regulation of brown fat cell differentiation
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016607 nuclear speck
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7wcv, PDBe:7wcv, PDBj:7wcv
PDBsum7wcv
PubMed35793358
UniProtQ9C0B1|FTO_HUMAN Alpha-ketoglutarate-dependent dioxygenase FTO (Gene Name=FTO)

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