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Contact Molecules for Homologous Proteins

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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
20585 425 91 P84022(SMAD3_HUMAN) RecName: Full=Mothers against decapentaplegic homolog 3; Short=MAD homolog 3; Short=Mad3; Short=Mothers against DPP homolog 3; Short=hMAD-3;AltName: Full=JV15-2;AltName: Full=SMAD family member 3; Short=SMAD 3; Short=Smad3; Short=hSMAD3;
QUERYSEQ 
MSSILPFTPPIVKRLLGWKKGEQNGQEEKWCEKAVKSLVKKLKKTGQLDELEKAITTQNVNTKCITIPRSLDGRLQVSHRKGLPHVIYCRLWRWPDLHSHHELRAMELCEFAFNMKKDEVCVNPYHYQRVETPVLPPVLVPRHTEIPAEF
PPLDDYSHSIPENTNFPAGIEPQSNIPETPPPGYLSEDGETSDHQMNHSMDAGSPNLSPNPMSPAHNNLDLQPVTYCEPAFWCSISYYELNQRVGETFHASQPSMTVDGFTDPSNSERFCLGLLSNVNRNAAVELTRRHIGRGVRLYYIG
GEVFAECLSDSAIFVQSPNCNQRYGWHPATVCKIPPGCNLKIFNNQEFAALLAQSVNQGFEAVYQLTRMCTIRMSFVKGWGAEYRRQTVTSTPCWIELHLNGPLQWLDKVLTQMGSPSIRCSSVS
[BLAST file for PDB] (plain) (bar) (multiple alignment) [BLAST for UniProt: (plain) (bar) (multiple alignment) (PSSM file) ]

Statistics of sites in view of Disease classification

All 613795 Loeys-Dietz syndrome 3 (LDS3) LB/B (likely benign or benign)US (uncertain significance)
Number of sites 425 5 1 1
Buired or ExposedBuried 40.9 (%) [137] 60.0 (%) [3] 100.0 (%) [1]
Exposed 59.1 (%) [198] 40.0 (%) [2] 0.0 (%) [0]
Ave relacc 33.0 % 20.3 % 0.0 % 3.9 %
SD relacc 29.36 % 23.52 % 0.00 % 0.00 %
Contact Molhetero 29.2 (%) [124] 60.0 (%) [3] 0.0 (%) [0] 0.0 (%) [0]
nucleotide 4.2 (%) [18] 0.0 (%) [0] 0.0 (%) [0] 0.0 (%) [0]
compound 3.8 (%) [16] 40.0 (%) [2] 0.0 (%) [0] 0.0 (%) [0]
metal 7.1 (%) [30] 20.0 (%) [1] 0.0 (%) [0] 0.0 (%) [0]
otherpoly 0.0 (%) [0] 0.0 (%) [0] 0.0 (%) [0] 0.0 (%) [0]
homo 41.6 (%) [177] 60.0 (%) [3] 0.0 (%) [0] 0.0 (%) [0]
precipitant 24.2 (%) [103] 20.0 (%) [1] 0.0 (%) [0] 0.0 (%) [0]
Number of variants 7 5 1 1
N_Freq(AAvariant)==0 % 60.0 % [3] 0.0 % [0] 100.0 % [1]
N_Freq(AAvariant)>0 % 40.0 % [2] 100.0 % [1] 0.0 % [0]
Ave Freq(AAvariant) 3.4 % 13.0 % 0.0 %
SD Freq(AAvariant) 4.18 % 0.00 % 0.00 %

Site Table for OMIM:613795 Loeys-Dietz syndrome 3 (LDS3) [5 variants]

5 sites 112,239,261,279,287
  [n]:site number of query sequence.  [a]:amino acid of query sequence.  [s]:predicted secondary structure.
  [e]:predicted exposed/buried.  [acc]:predicted relative accesssibility(%).  [pdb]:PDB code of homologous structure.
  [contact_mols]:predicted binding molecules  [observed aa]:Observed amino acids among homologous sequences.  [feature table]:UniProt Feature Table
  [variant]:UniProt Human Variant.
n a s e acc pdb contact_mols observed aa feature table variant
112A b 1.8 1ozj_C metal CL 
APYFCST
 DOMAIN /note="MH1" DOMAIN /note="MH1" A->V:(0.0 %):LP/P Loeys-Dietz syndrome 3 (LDS3) dbSNP:rs3879068 [MIM:613795]
239EEb 1.0 1mk2_A 
E
 DOMAIN /note="MH2" DOMAIN /note="MH2" E->K:(0.0 %):LP/P Loeys-Dietz syndrome 3 (LDS3) dbSNP:rs3879068 [MIM:613795]
261TSe 64.3 1mk2_A hetero SMAD4_HUMAN SMAD3_HUMAN SMAD2_HUMAN homo 
TYIMV
 DOMAIN /note="MH2" DOMAIN /note="MH2" T->I:(9.0 %):LP/P Loeys-Dietz syndrome 3 (LDS3) dbSNP:rs3879068 [MIM:613795]
279R e 24.1 1mk2_A hetero SMAD4_HUMAN compound TAR homo precipitant 
RK
 REGION /note="Sufficient for interaction with XPO4" DOMAIN /note="MH2" REGION /note="Sufficient for interaction with XPO4" DOMAIN /note="MH2" R->K:(8.0 %):LP/P Loeys-Dietz syndrome 3 (LDS3) dbSNP:rs3879068 [MIM:613795]
287RHb 10.3 1mk2_A hetero SMAD4_HUMAN SMAD3_HUMAN SMAD2_HUMAN compound TAR homo 
R
 REGION /note="Sufficient for interaction with XPO4" DOMAIN /note="MH2" REGION /note="Sufficient for interaction with XPO4" DOMAIN /note="MH2" R->W:(0.0 %):LP/P Loeys-Dietz syndrome 3 (LDS3) dbSNP:rs3879068 [MIM:613795]

Site Table for OMIM:LB/B [1 variants]

1 sites 170
  [n]:site number of query sequence.  [a]:amino acid of query sequence.  [s]:predicted secondary structure.
  [e]:predicted exposed/buried.  [acc]:predicted relative accesssibility(%).  [pdb]:PDB code of homologous structure.
  [contact_mols]:predicted binding molecules  [observed aa]:Observed amino acids among homologous sequences.  [feature table]:UniProt Feature Table
  [variant]:UniProt Human Variant.
n a s e acc pdb contact_mols observed aa feature table variant
170I---- 
IFVLSADEGKNPQRTY
 REGION /note="Disordered" REGION /note="Linker" REGION /note="Disordered" REGION /note="Linker" I->V:(13.0 %):LB/B - dbSNP:rs3587446

Site Table for OMIM:US [1 variants]

1 sites 393
  [n]:site number of query sequence.  [a]:amino acid of query sequence.  [s]:predicted secondary structure.
  [e]:predicted exposed/buried.  [acc]:predicted relative accesssibility(%).  [pdb]:PDB code of homologous structure.
  [contact_mols]:predicted binding molecules  [observed aa]:Observed amino acids among homologous sequences.  [feature table]:UniProt Feature Table
  [variant]:UniProt Human Variant.
n a s e acc pdb contact_mols observed aa feature table variant
393PSb 3.9 1mk2_A 
P
 DOMAIN /note="MH2" DOMAIN /note="MH2" P->L:(0.0 %):US A colorectal cancer sample