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Contact Molecules for Homologous Proteins

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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
15534 1170 392 P20701(ITAL_HUMAN) RecName: Full=Integrin alpha-L ;AltName: Full=CD11 antigen-like family member A;AltName: Full=Leukocyte adhesion glycoprotein LFA-1 alpha chain; Short=LFA-1A;AltName: Full=Leukocyte function-associated molecule 1 alpha chain;AltName: CD_antigen=CD11a;Flags: Precursor;
QUERYSEQ 
MKDSCITVMAMALLSGFFFFAPASSYNLDVRGARSFSPPRAGRHFGYRVLQVGNGVIVGAPGEGNSTGSLYQCQSGTGHCLPVTLRGSNYTSKYLGMTLATDPTDGSILACDPGLSRTCDQNTYLSGLCYLFRQNLQGPMLQGRPGFQEC
IKGNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQFAAVQFSTSYKTEFDFSDYVKRKDPDALLKHVKHMLLLTNTFGAINYVATEVFREELGARPDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTKESQETLH
KFASKPASEFVKILDTFEKLKDLFTELQKKIYVIEGTSKQDLTSFNMELSSSGISADLSRGHAVVGAVGAKDWAGGFLDLKADLQDDTFIGNEPLTPEVRAGYLGYTVTWLPSRQKTSLLASGAPRYQHMGRVLLFQEPQGGGHWSQVQT
IHGTQIGSYFGGELCGVDVDQDGETELLLIGAPLFYGEQRGGRVFIYQRRQLGFEEVSELQGDPGYPLGRFGEAITALTDINGDGLVDVAVGAPLEEQGAVYIFNGRHGGLSPQPSQRIEGTQVLSGIQWFGRSIHGVKDLEGDGLADVA
VGAESQMIVLSSRPVVDMVTLMSFSPAEIPVHEVECSYSTSNKMKEGVNITICFQIKSLIPQFQGRLVANLTYTLQLDGHRTRRRGLFPGGRHELRRNIAVTTSMSCTDFSFHFPVCVQDLISPINVSLNFSLWEEEGTPRDQRAQGKDI
PPILRPSLHSETWEIPFEKNCGEDKKCEANLRVSFSPARSRALRLTAFASLSVELSLSNLEEDAYWVQLDLHFPPGLSFRKVEMLKPHSQIPVSCEELPEESRLLSRALSCNVSSPIFKAGHSVALQMMFNTLVNSSWGDSVELHANVTC
NNEDSDLLEDNSATTIIPILYPINILIQDQEDSTLYVSFTPKGPKIHQVKHMYQVRIQPSIHDHNIPTLEAVVGVPQPPSEGPITHQWSVQMEPPVPCHYEDLERLPDAAEPCLPGALFRCPVVFRQEILVQVIGTLELVGEIEASSMFS
LCSSLSISFNSSKHFHLYGSNASLAQVVMKVDVVYEKQMLYLYVLSGIGGLLLLLLIFIVLYKVGFFKRNLKEKMEAGRGVPNGIPAEDSEQLASGQEAGDPGCLKPLHEKDSESGGGKD
[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 1170 4
Buired or ExposedBuried 42.7 (%) [484] 0.0 (%) [0]
Exposed 57.3 (%) [650] 100.0 (%) [4]
Ave relacc 31.1 % 55.4 %
SD relacc 26.84 % 17.95 %
Contact Molhetero 28.5 (%) [334] 25.0 (%) [1]
nucleotide 0.0 (%) [0] 0.0 (%) [0]
compound 13.5 (%) [158] 25.0 (%) [1]
metal 10.9 (%) [127] 25.0 (%) [1]
otherpoly 12.9 (%) [151] 0.0 (%) [0]
homo 13.5 (%) [158] 25.0 (%) [1]
precipitant 17.0 (%) [199] 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) 1.0 %
SD Freq(AAvariant) 1.00 %

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

4 sites 144,214,746,791
  [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
144R e 41.5 5e6u_A compound NAG 
RPGIKLQADSVCFH
 TOPO_DOM /note="Extracellular" TOPO_DOM /note="Extracellular" R->H:(2.0 %):LB/B - dbSNP:rs3416670
214RTe 62.9 5e6u_A hetero ITA1_HUMAN metal MG precipitant 
KQRGSTAVINEPH
 DOMAIN /note="VWFA" TOPO_DOM /note="Extracellular" DOMAIN /note="VWFA" TOPO_DOM /note="Extracellular" R->W:(0.0 %):LB/B - dbSNP:rs1064524
746Q e 36.0 3k6s_A 
RLSEQADTFPVGIKNWCHMY
 TOPO_DOM /note="Extracellular" DISORDER predicted by DISOPRED TOPO_DOM /note="Extracellular" Q->K:(2.0 %):LB/B - dbSNP:rs3483894
791R e 81.1 3k6s_A homo 
KQSDPILNRCEGAV
 TOPO_DOM /note="Extracellular" TOPO_DOM /note="Extracellular" R->T:(0.0 %):LB/B - dbSNP:rs2230433