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Contact Molecules for Homologous Proteins

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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
18353 805 594 Q9BYF1(ACE2_HUMAN) RecName: Full=Angiotensin-converting enzyme 2; EC=3.4.17.23 ;AltName: Full=Angiotensin-converting enzyme homolog ; Short=ACEH ;AltName: Full=Angiotensin-converting enzyme-related carboxypeptidase ; Short=ACE-related carboxypeptidase; EC=3.4.17.- ;AltName: Full=Metalloprotease MPROT15 ;Contains: RecName: Full=Processed angiotensin-converting enzyme 2 ;Flags: Precursor;
QUERYSEQ 
MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNE
IMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQ
AWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTL
PFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNK
NSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVM
GVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF
[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 LB/B (likely benign or benign)
Number of sites 805 4
Buired or ExposedBuried 47.3 (%) [355] 25.0 (%) [1]
Exposed 52.7 (%) [396] 75.0 (%) [3]
Ave relacc 28.4 % 45.4 %
SD relacc 25.69 % 28.96 %
Contact Molhetero 22.1 (%) [178] 25.0 (%) [1]
nucleotide 0.0 (%) [0] 0.0 (%) [0]
compound 24.6 (%) [198] 25.0 (%) [1]
metal 11.4 (%) [92] 25.0 (%) [1]
otherpoly 16.8 (%) [135] 25.0 (%) [1]
homo 8.1 (%) [65] 25.0 (%) [1]
precipitant 46.1 (%) [371] 25.0 (%) [1]
Number of variants 4 4
N_Freq(AAvariant)==0 % 50.0 % [2]
N_Freq(AAvariant)>0 % 50.0 % [2]
Ave Freq(AAvariant) 10.5 %
SD Freq(AAvariant) 10.52 %

Site Table for OMIM:LB/B [4 variants]

4 sites 26,468,638,720
  [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
26KHe 34.4 7v61_B hetero SPIKE_SARS2 compound NAG NDG metal CL otherpoly 
KRSEQTVDN
 MUTAGEN /note="QAK->KAE: Slightly inhibits interaction with SARS- CoV spike glycoprotein." DOMAIN /note="Peptidase M2" TOPO_DOM /note="Extracellular" MUTAGEN /note="QAK->KAE: Slightly inhibits interaction with SARS- CoV spike glycoprotein." DOMAIN /note="Peptidase M2" TOPO_DOM /note="Extracellular" K->R:(22.0 %):LB/B - dbSNP:rs4646116
468ISb 2.9 7v61_B precipitant 
IVTLA
 DOMAIN /note="Peptidase M2" TOPO_DOM /note="Extracellular" DOMAIN /note="Peptidase M2" TOPO_DOM /note="Extracellular" I->V:(20.0 %):LB/B -
638NHe 70.9 7v61_B homo 
NRD
 DOMAIN /note="Collectrin-like" TOPO_DOM /note="Extracellular" DOMAIN /note="Collectrin-like" TOPO_DOM /note="Extracellular" N->S:(0.0 %):LB/B - dbSNP:rs1831357
720NSe 73.3 7v61_B 
NQH
 DOMAIN /note="Collectrin-like" TOPO_DOM /note="Extracellular" DOMAIN /note="Collectrin-like" TOPO_DOM /note="Extracellular" N->D:(0.0 %):LB/B -