General Structure Information
| PDB ID | 3ut3 |
| HGNC Gene Label(s) | SERPINE1 |
| Structure Name | a novel pai-i inhibitor and its structural mechanism |
| Resolution | 2.42Å |
| Reference | AUTH Z.H.LIN,Z.B.HONG,X.L.SHI,L.H.HU,P.A.ANDREASEN,M.D.HUANGTITL A NOVEL PAI-I INHIBITOR AND ITS STRUCTURAL MECHANISMREF TO BE PUBLISHEDREFN |
Variant Set Distributions
ExAC Variants
| Number Of Residues | 360 |
| Number Of SNVs | 97 |
| Number Of Permutations | 52599 |
| Optimal Distance Threshold | 8.0 |
| K Statistic | 0.026 |
| p-value | 0.73 |
COSMIC
| Number Of Residues | 360 |
| Number Of SNVs | 7 |
| Number Of Permutations | 4432 |
| Optimal Distance Threshold | 6.0 |
| K Statistic | 0.048 |
| p-value | 1.0 |
Ripley’s K Analysis Plots
ExACCOSMIC
Variant Set Comparisons
Cosmic vs. ExAC
| Number Of ExAC SNVs | 97 |
| Number Of COSMIC SNVs | 5 |
| Optimal Distance Threshold | 24.0 |
| K Statistic | -0.311 |
| p-value | 0.501 |
Pathogenic Proximity Analysis
COSMIC PathProx Analysis
Mapped Variants
[+] ExAC Missense Variants
| Position | Variant | AA Change | PDB Chain Position | Structure Coordinates |
|---|---|---|---|---|
| 7:100771757 | P>L | D:5 | (-29.65, -44.79, -41.95) | |
| 7:100771783 | D>N | D:14 | (-26.59, -43.53, -27.13) | |
| 7:100771795 | rs549581756 | R>G | D:18 | (-23.27, -41.88, -23.88) |
| 7:100771796 | R>K | D:18 | (-23.27, -41.88, -23.88) | |
| 7:100771798 | V>L | D:19 | (-22.32, -36.12, -23.66) | |
| 7:100771813 | A>T | D:24 | (-25.96, -32.47, -16.29) | |
| 7:100771814 | A>V | D:24 | (-25.96, -32.47, -16.29) | |
| 7:100771819 | COSM598100 | A>T | D:26 | (-21.89, -30.58, -13.99) |
| 7:100771831 | R>C | D:30 | (-27.71, -23.58, -12.77) | |
| 7:100771832 | R>H | D:30 | (-27.71, -23.58, -12.77) | |
| 7:100771858 | rs564909482 | V>M | D:39 | (-21.66, -34.06, -30.33) |
| 7:100771865 | COSM1446805 | S>L | D:41 | (-21.59, -34.83, -36.31) |
| 7:100771867 | V>L | D:42 | (-18.41, -32.99, -34.61) | |
| 7:100771868 | V>A | D:42 | (-18.41, -32.99, -34.61) | |
| 7:100771877 | M>T | D:45 | (-16.47, -34.69, -39.05) | |
| 7:100771879 | L>V | D:46 | (-12.50, -35.43, -35.16) | |
| 7:100771884 | Q>H | D:47 | (-13.58, -40.61, -36.20) | |
| 7:100771889 | T>K | D:49 | (-8.38, -36.32, -37.94) | |
| 7:100771891 | rs374379570 | T>A | D:50 | (-7.86, -39.55, -35.63) |
| 7:100771894 | G>R | D:51 | (-5.06, -41.98, -34.46) | |
| 7:100771897 | COSM263592 | G>R | D:52 | (-4.48, -44.46, -32.54) |
| 7:100771900 | COSM3431001 | E>K | D:53 | (-5.17, -45.26, -28.40) |
| 7:100771914 | rs367935516 | Q>H | D:57 | (-9.88, -42.79, -26.92) |
| 7:100771931 | COSM241565 | G>A | D:63 | (-19.60, -47.24, -31.70) |
| 7:100771935 | F>L | D:64 | (-19.74, -45.01, -35.14) | |
| 7:100771939 | I>V | D:66 | (-16.51, -42.60, -40.00) | |
| 7:100771940 | I>T | D:66 | (-16.51, -42.60, -40.00) | |
| 7:100771943 | D>G | D:67 | (-13.74, -45.11, -42.70) | |
| 7:100773708 | G>D | D:70 | (-22.14, -46.56, -44.74) | |
| 7:100773710 | M>L | D:71 | (-21.57, -45.48, -41.31) | |
| 7:100773725 | rs144953342 | R>W | D:76 | (-23.71, -38.17, -46.60) |
| 7:100773726 | R>Q | D:76 | (-23.71, -38.17, -46.60) | |
| 7:100773734 | Y>H | D:79 | (-27.43, -32.75, -42.93) | |
| 7:100773737 | K>E | D:80 | (-29.44, -34.65, -47.43) | |
| 7:100773738 | K>R | D:80 | (-29.44, -34.65, -47.43) | |
| 7:100773742 | COSM296954 | E>D | D:81 | (-34.37, -36.82, -43.83) |
| 7:100773769 | E>D | D:90 | (-38.23, -24.71, -37.37) | |
| 7:100773777 | rs373286742 | T>I | D:93 | (-26.80, -27.25, -38.15) |
| 7:100773785 | COSM1446810 | A>T | D:96 | (-16.28, -26.98, -37.74) |
| 7:100773786 | rs143027028 | A>V | D:96 | (-16.28, -26.98, -37.74) |
| 7:100773788 | I>L | D:97 | (-12.68, -28.97, -38.07) | |
| 7:100773794 | COSM3876619 | V>I | D:99 | (-6.44, -26.23, -39.05) |
| 7:100773800 | R>W | D:101 | (-3.23, -21.08, -43.49) | |
| 7:100773801 | rs199790102 | R>Q | D:101 | (-3.23, -21.08, -43.49) |
| 7:100773815 | rs371649267 | V>I | D:106 | (-1.91, -35.96, -45.10) |
| 7:100773822 | G>A | D:108 | (-5.53, -36.89, -49.23) | |
| 7:100773829 | rs140708600 | M>I | D:110 | (-8.99, -32.23, -47.61) |
| 7:100773851 | rs377193732 | R>W | D:118 | (-20.00, -34.33, -49.84) |
| 7:100773852 | rs145904727 | R>Q | D:118 | (-20.00, -34.33, -49.84) |
| 7:100773855 | S>N | D:119 | (-16.88, -30.61, -45.90) | |
| 7:100773858 | COSM1547539 | T>M | D:120 | (-13.73, -28.55, -45.80) |
| 7:100773872 | COSM3876620 | D>N | D:125 | (-3.10, -17.55, -39.32) |
| 7:100773899 | rs375620822 | F>L | D:134 | (-14.25, -12.48, -38.04) |
| 7:100773901 | F>L | D:134 | (-14.25, -12.48, -38.04) | |
| 7:100773917 | V>M | D:140 | (-21.48, -19.81, -36.38) | |
| 7:100773921 | K>T | D:141 | (-23.20, -14.96, -38.32) | |
| 7:100773927 | rs535214895 | H>L | D:143 | (-23.10, -21.46, -41.99) |
| 7:100775159 | rs200926782 | M>T | D:147 | (-30.05, -16.98, -34.57) |
| 7:100775168 | N>I | D:150 | (-19.52, -14.74, -30.39) | |
| 7:100775174 | rs142959808 | L>P | D:152 | (-18.03, -16.66, -25.23) |
| 7:100775176 | rs372569598 | G>R | D:153 | (-14.41, -19.48, -26.25) |
| 7:100775177 | rs538785036 COSM1330218 |
G>V | D:153 | (-14.41, -19.48, -26.25) |
| 7:100775188 | rs553824895 | V>M | D:157 | (-8.28, -18.39, -29.63) |
| 7:100775189 | V>A | D:157 | (-8.28, -18.39, -29.63) | |
| 7:100775225 | L>H | D:169 | (-27.41, -26.19, -33.13) | |
| 7:100775236 | rs373629815 | G>S | D:173 | (-40.82, -24.41, -33.32) |
| 7:100775252 | P>L | D:178 | (-50.90, -23.79, -31.88) | |
| 7:100775260 | rs138796302 | D>N | D:181 | (-51.42, -16.21, -27.48) |
| 7:100775266 | S>G | D:183 | (-53.92, -18.98, -22.30) | |
| 7:100775270 | rs149389532 | T>I | D:184 | (-50.21, -17.05, -21.47) |
| 7:100775275 | R>C | D:186 | (-49.37, -14.10, -15.38) | |
| 7:100775276 | rs2227669 | R>H | D:186 | (-49.37, -14.10, -15.38) |
| 7:100775278 | rs139905333 | R>C | D:187 | (-49.15, -20.78, -13.05) |
| 7:100775299 | G>S | D:194 | (-37.97, -24.11, -2.77) | |
| 7:100775300 | rs147436426 | G>D | D:194 | (-37.97, -24.11, -2.77) |
| 7:100775317 | rs551548804 | P>S | D:200 | (-44.28, -16.94, -18.28) |
| 7:100775323 | M>V | D:202 | (-47.64, -21.95, -22.54) | |
| 7:100775327 | A>V | D:203 | (-52.06, -23.29, -22.26) | |
| 7:100775333 | rs560280276 | T>N | D:205 | (-57.18, -28.25, -23.49) |
| 7:100775345 | rs147003064 | N>S | D:209 | (-49.44, -38.72, -27.01) |
| 7:100776993 | D>N | D:217 | (-35.98, -45.66, -6.89) | |
| 7:100776994 | D>G | D:217 | (-35.98, -45.66, -6.89) | |
| 7:100776997 | G>D | D:218 | (-40.59, -45.64, -8.02) | |
| 7:100777003 | rs13306846 | Y>C | D:220 | (-45.14, -43.26, -10.30) |
| 7:100777032 | G>R | D:230 | (-45.82, -32.78, -39.78) | |
| 7:100777039 | rs2227685 | T>N | D:232 | (-41.08, -34.70, -38.71) |
| 7:100777059 | A>T | D:239 | (-41.49, -34.77, -14.79) | |
| 7:100777098 | rs149701969 | N>H | D:252 | (-29.11, -40.33, -13.68) |
| 7:100777109 | S>R | D:255 | (-31.75, -43.54, -23.18) | |
| 7:100777114 | rs146654894 | Q>R | D:257 | (-34.28, -47.73, -26.51) |
| 7:100777115 | rs564553385 | Q>H | D:257 | (-34.28, -47.73, -26.51) |
| 7:100777119 | rs531963456 | I>V | D:259 | (-36.72, -41.63, -25.64) |
| 7:100777141 | rs140246744 | M>T | D:266 | (-47.51, -42.33, -25.54) |
| 7:100777149 | L>V | D:269 | (-55.24, -39.04, -22.79) | |
| 7:100777152 | P>S | D:270 | (-57.97, -35.99, -22.46) | |
| 7:100777158 | L>F | D:272 | (-54.91, -28.56, -18.70) | |
| 7:100778785 | rs377501438 | E>K | D:281 | (-27.94, -19.41, -25.20) |
| 7:100778833 | D>N | D:297 | (-5.33, -38.96, -25.94) | |
| 7:100778835 | rs145850643 | D>E | D:297 | (-5.33, -38.96, -25.94) |
| 7:100778841 | F>L | D:299 | (-8.69, -32.76, -25.33) | |
| 7:100778864 | rs192692662 | T>M | D:307 | (-1.21, -38.64, -37.84) |
| 7:100778873 | rs369508275 | S>L | D:310 | (-0.59, -34.02, -39.71) |
| 7:100779004 | P>T | D:314 | (2.67, -31.59, -31.97) | |
| 7:100779013 | COSM1083378 | V>I | D:317 | (-8.00, -30.30, -29.26) |
| 7:100779016 | A>T | D:318 | (-7.63, -26.51, -27.86) | |
| 7:100779017 | rs371573254 | A>V | D:318 | (-7.63, -26.51, -27.86) |
| 7:100779023 | rs138483939 | A>V | D:320 | (-14.25, -27.98, -27.90) |
| 7:100779032 | K>T | D:323 | (-23.64, -21.89, -28.75) | |
| 7:100779043 | rs376197859 | E>K | D:327 | (-36.91, -20.25, -28.52) |
| 7:100779052 | E>K | D:330 | (-47.08, -19.36, -27.44) | |
| 7:100780305 | A>P | D:348 | (-63.11, -30.77, -16.12) | |
| 7:100780306 | A>G | D:348 | (-63.11, -30.77, -16.12) | |
| 7:100780323 | rs141469348 | M>V | D:354 | (-44.86, -28.55, -16.07) |
| 7:100780324 | M>T | D:354 | (-44.86, -28.55, -16.07) | |
| 7:100780360 | P>L | D:366 | (-38.61, -40.23, -39.02) | |
| 7:100780691 | V>I | D:370 | (-31.87, -37.07, -30.19) | |
| 7:100780694 | L>V | D:371 | (-32.16, -33.18, -32.89) | |
| 7:100780719 | P>L | D:379 | (-38.02, -20.65, -16.54) |
[+] COSMIC Missense Variants
| Position | Variant | AA Change | PDB Chain Position | Structure Coordinates |
|---|---|---|---|---|
| 7:100773786 | COSM76382 | A>V | D:96 | (-16.28, -26.98, -37.74) |
| 7:100773794 | COSM3876619 | V>I | D:99 | (-6.44, -26.23, -39.05) |
| 7:100775279 | COSM1225297 | R>H | D:187 | (-49.15, -20.78, -13.05) |
| 7:100775282 | COSM1559761 | L>H | D:188 | (-45.87, -19.74, -9.04) |
| 7:100776988 | COSM4168142 | T>M | D:215 | (-37.74, -44.47, -11.29) |
| 7:100779013 | COSM1083378 | V>I | D:317 | (-8.00, -30.30, -29.26) |
| 7:100780698 | COSM1673405 | F>S | D:372 | (-32.12, -30.14, -29.94) |