Structure of PDB 6qe4 Chain A Binding Site BS03

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 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		K119 V120 T121
Binding residue
(residue number reindexed from 1)		K104 V105 T106
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

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

[Back to BioLiP]