PPIRE11104

Target Protein Information
Protein_Name Mediator of DNA damage checkpoint protein 1
Protein_Sequence MESTQVIDWDAEEEEETELSSGSLGYSVEPIGQLRLFSGTHGPERDFPLYLGKNVVGRSPDCSVALPFPSISKQHAVIEISAWNKAPILQDCGSLNGTQIVKPPRVLPPGVSHRLRDQELILFADFPCQYHRLDVPPPLVPRSLLTIEKTPRIRIESQNSRVLLAADSEEEGDFPSGRCVANGQRNTASPSATVVPESDEEVSSPAPSVPGPSSPFGLGSDTDEEQGQQPGVEESSLADSSGAAGEAEQPEANGTTAGIQAQPTEHKLKDTKVKKEAGRAGVSDGSVLERSPTLGEDSDTEVDEDHKPGFADSETDVEEERIPVTPPVAPVKKNQVLLAVGIGDPEAPGVAHLQDCLAGSGTDVEDKTALDVPLERNHTPMVINSDTDEEEEEEEEVSAALTLAHLKERGIGLWSRDPGAEEVKSQPQVLVEQSQSASGRDSDTDVEEESSGRKREIIPDSPMDVDEALTVTQPESQPPRRPNDADEYMDMSSPGSHLVVNQASFAVVGKTRAQVEEEVPGPSVILGEKHQVPLEGAQPPEEAWETAVQEGSSSPEAAASVRPSQQPVAEDAGTECATAVSEQESTLEVRSQSGSPAAPVEQVVIHTDTSGDPTLPQREGAQTPTGREREAHVGRTKSAKECCDAEPEDLCLPATQCFVEGESQHPEAVQSLENEPTQLFPCTLPQEPGPSHLSLQTPGADTLDVPWEVLATQPFCLREQSETSELHEAHGSQPSLPREPPGHQHLVHTSPVHTELLRIEGREIQTVEKAMGIPKEMADRMTPEREPLEREIRGRTENSERDVIGEELIQGTKDREPKKVLARDSQRKEADKDLEGNRESLEVEIEMSKDSQKRERKVEKPEPKREWEPADLEVTPDRGVTEEGSHDQKGQIASLTLKPGVGVKDLEGLASAPIITGSQADGGKGDPLSPGRQQRGRLSCQTTPAGKASRGDPEPPDHCLFSSVPEASTQSLLTSQSQKQSTPQPLFSTSSSEIPLPESLHTKPNVRPRRSSRMTPSPHSSAALKPNTTCPTNQPAASRPTSRPTRGRANRSSTRTPELIVPVDPELQPSTSTEQPVIPKLTSQVTEGRVQMPEPLLTGPEIQSPTSTEQSVTPDRKPRATRGRPSKSPNKTPEPLISTGPELQPPTSIEQPVIPKPTSRVTRGRPRKSSVRTPESVVSTGPELQPLTSIEQPVIPEPRATRGRPSKSSIKTPESVVPTGPELQPLTSAKQPVTPNLTSRASRGRSSKSIRTPEPVVQTGPEFHPSTSTEQPDTREPSSQARTRRSAVKTPEASVPTTPELQPFTSKKQPAPKPTALVTQGRTYKPSTEDCESVGPVAPDFEPSTSTDHLVTPKVTDQSLTLQSSPLSASPVSSTPDLKPPVPIAQPVTPEPIPQANHQRKRRAAGKQGSRTVPLGHKSYSALSEPEPQSSASQSSGASEADSPRQKRPRRQASQKTVVIKEEPVETEVKEEPQETAIPTPEKRKRDHAEEVTQGKPTRSRRTKPNQETAPKVLFTGVMDSRGERAVLALGGSLASSVNEASHLVTDRIRRTVKFLCALGKGIPILSLNWLYQSRKAGCFLPPDDYLVTDPEQEKNFSFSLRDSLCRARERRLLEDYEIHVTPGVQPPPPQMGEIISCCGGTFLPSMPHSYKLHRVIITCTEDLPRCAIPSRLGLPLLSPEFLLTGVLKQEATPEAFVLSNLEMSST
Organism_Source Mus musculus
Functional_Classification FHA domain-containing proteins
Cellular_Localization Nucleus
Gene_Names Mdc1
UniProt_ID Q5PSV9
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name hCHK2-pThr68
Peptide_Sequence LETVSpTQELYSI
Peptide_Length 13
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)O
Chemical_Modification T6=phosphothreonine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1479.65
Aliphatic_Index 112.30769
Aromaticity 0.07692
Average_Rotatable_Bonds 3.53846
Charge_at_pH_7 -1.99932
Isoelectric_Point 3.61369
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 622.57000
X_logP_energy -5.79400
Interaction Information
Affinity KD=40 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 3VA4
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structural delineation of MDC1-FHA domain binding with CHK2-pThr68.
Release_Year 2012
PMID 22211259
DOI 10.1021/bi201709w