Structure of PDB 6qe4 Chain A Binding Site BS01

Receptor Information
>6qe4 Chain A (length=308) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAAWACFRLDGRTLLRVRGPDAAPFLLGLLTNELPLPSPAAAGAPPAARA
GYAHFLNVQGRTLYDVILYGLQEHSEVSGFLLECDSSVQGALQKHLALYR
IRRKVTVEPHPELRVWAVLPSSPEACGAASLQERAGAAAILIRDPRTARM
GWRLLTQDEGPALVPGGRLGDLWDYHQHRYLQGVPEGVRDLPPGVALPLE
SNLAFMNGVSFTKGCYIGQELTARTHHMGVIRKRLFPVRFLDPLPTSGIT
PGATVLTASGQTVGKFRAGQGNVGLALLWSEKIKGPLHIRASEGAQVALA
ASVPDWWP
Ligand information
Ligand IDI3C
InChIInChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChIKeyJEZJSNULLBSYHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O
CACTVS 3.341Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I
ACDLabs 10.04Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O
FormulaC8 H4 I3 N O4
Name5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid;
5-Amino-2,4,6-triiodoisophthalic acid
ChEMBL
DrugBank
ZINCZINC000004806327
PDB chain6qe4 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qe4 In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		K248 T277 G279 K280 L292 W294
Binding residue
(residue number reindexed from 1)		K233 T262 G264 K265 L277 W279
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.-.-
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0005515 protein binding
GO:0016740 transferase activity
Biological Process
GO:0006783 heme biosynthetic process
GO:0016226 iron-sulfur cluster assembly
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6qe4, PDBe:6qe4, PDBj:6qe4
PDBsum6qe4
PubMed30950402
UniProtQ5T440|CAF17_HUMAN Putative transferase CAF17, mitochondrial (Gene Name=IBA57)

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