Structure of PDB 4qdv Chain C Binding Site BS01

Receptor Information
>4qdv Chain C (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVRLPFSGFRLQKVLRESARDKIIFLHGKGEDAVVILEKTPFQVEQVAQL
LTGSPELQLQFSNDIYSTYHLFPPRQLNDVKTTVVYPATEKHLQKYLRQD
LRLIRETGDDYRNITLPHLESQSLSIQWVYNILDKKAEADRIVFENPDPS
DGFVLIPDLKWNQQQLDDLYLIAICHRRGIRSLRDLTPEHLPLLRNILHQ
GQEAILQRYRMKGDHLRVYLHYLPSYYHLHVHFTALGFEAPGSGVERAHL
LAEVIENLECDPRHYQQRTLTFALRADDPLLKLLQEAQQ
Ligand information
Ligand ID30U
InChIInChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)2-1-3-12(13)23-8-9-4-6-10(7-5-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
InChIKeyAVKNBINNLVQZGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)c1ccc(cc1)COc3c2c(nc(nc2N)N)ccc3
OpenEye OEToolkits 1.7.6c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N
CACTVS 3.385Nc1nc(N)c2c(OCc3ccc(cc3)[S](O)(=O)=O)cccc2n1
FormulaC15 H14 N4 O4 S
Name4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
ChEMBL
DrugBank
ZINCZINC000230498320
PDB chain4qdv Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qdv Dcps in complex with covalent ligands targeting Tyrosines
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F108 Y113
Binding residue
(residue number reindexed from 1)		F61 Y66
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.59: 5'-(N(7)-methyl 5'-triphosphoguanosine)-[mRNA] diphosphatase.
Gene Ontology
Molecular Function
GO:0000340 RNA 7-methylguanosine cap binding
GO:0004532 RNA exonuclease activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0140932 5'-(N(7)-methyl 5'-triphosphoguanosine)-[mRNA] diphosphatase activity
Biological Process
GO:0000288 nuclear-transcribed mRNA catabolic process, deadenylation-dependent decay
GO:0000290 deadenylation-dependent decapping of nuclear-transcribed mRNA
GO:0006397 mRNA processing
GO:0008380 RNA splicing
GO:0045292 mRNA cis splicing, via spliceosome
GO:0110156 mRNA methylguanosine-cap decapping
Cellular Component
GO:0000932 P-body
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4qdv, PDBe:4qdv, PDBj:4qdv
PDBsum4qdv
PubMed
UniProtQ96C86|DCPS_HUMAN m7GpppX diphosphatase (Gene Name=DCPS)

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