General Structure Information
| PDB ID | 4k9w |
| HGNC Gene Label(s) | CYP3A4 |
| Structure Name | complex of human cyp3a4 with a desoxyritonavir analog |
| Resolution | 2.4Å |
| Reference | AUTH I.F.SEVRIOUKOVA,T.L.POULOSTITL DISSECTING CYTOCHROME P450 3A4-LIGAND INTERACTIONS USINGTITL 2 RITONAVIR ANALOGUES.REF BIOCHEMISTRY V. 52 4474 2013REFN ISSN 0006-2960PMID 23746300DOI 10.1021/BI4005396 |
Variant Set Distributions
ExAC Variants
| Number Of Residues | 458 |
| Number Of SNVs | 125 |
| Number Of Permutations | 22917 |
| Optimal Distance Threshold | 6.0 |
| K Statistic | 0.011 |
| p-value | 0.275 |
COSMIC
| Number Of Residues | 458 |
| Number Of SNVs | 7 |
| Number Of Permutations | 1338 |
| Optimal Distance Threshold | 24.0 |
| K Statistic | 0.19 |
| p-value | 0.592 |
Ripley’s K Analysis Plots
ExACCOSMIC
Variant Set Comparisons
Cosmic vs. ExAC
| Number Of ExAC SNVs | 125 |
| Number Of COSMIC SNVs | 6 |
| Optimal Distance Threshold | 11.0 |
| K Statistic | 0.082 |
| p-value | 0.742 |
Mapped Variants
[+] ExAC Missense Variants
| Position | Variant | AA Change | PDB Chain Position | Structure Coordinates |
|---|---|---|---|---|
| 7:99377688 | G>E | A:31 | (51.84, 5.05, 18.02) | |
| 7:99377680 | K>E | A:34 | (52.62, 5.15, 12.30) | |
| 7:99377676 | K>R | A:35 | (57.61, 5.01, 16.72) | |
| 7:99377673 | L>R | A:36 | (57.95, 0.57, 15.01) | |
| 7:99377653 | rs367582027 | P>S | A:43 | (43.45, 3.28, 15.87) |
| 7:99377635 | N>D | A:49 | (41.37, -2.01, 16.01) | |
| 7:99377631 | rs374028591 | I>T | A:50 | (37.78, -4.05, 19.45) |
| 7:99377623 | Y>H | A:53 | (37.57, -8.15, 16.83) | |
| 7:99377619 | H>R | A:54 | (31.68, -6.39, 13.11) | |
| 7:99375702 | rs56324128 | G>D | A:56 | (34.96, -11.49, 13.28) |
| 7:99375691 | F>L | A:60 | (40.63, -8.16, 11.93) | |
| 7:99375684 | M>K | A:62 | (41.61, -13.42, 6.25) | |
| 7:99375669 | rs140422742 | K>R | A:67 | (45.14, -4.17, 3.54) |
| 7:99375666 | rs59418896 | Y>C | A:68 | (47.85, -4.05, 6.06) |
| 7:99375664 | G>R | A:69 | (50.82, -8.74, 4.78) | |
| 7:99370295 | Q>R | A:79 | (47.63, -4.88, 24.20) | |
| 7:99370287 | L>V | A:82 | (52.89, -8.00, 15.92) | |
| 7:99370260 | K>Q | A:91 | (61.14, -21.74, 14.01) | |
| 7:99370245 | rs3091339 | K>E | A:96 | (64.36, -20.20, 17.89) |
| 7:99370238 | C>Y | A:98 | (60.08, -19.81, 24.58) | |
| 7:99370230 | V>F | A:101 | (61.32, -13.59, 24.74) | |
| 7:99370217 | R>Q | A:105 | (49.71, -18.78, 26.33) | |
| 7:99370218 | rs142296281 | R>W | A:105 | (49.71, -18.78, 26.33) |
| 7:99370214 | R>T | A:106 | (46.55, -11.89, 25.28) | |
| 7:99367827 | A>V | A:117 | (46.65, -23.38, 34.97) | |
| 7:99367825 | rs55951658 | I>V | A:118 | (49.59, -25.59, 32.29) |
| 7:99367822 | S>T | A:119 | (47.24, -22.79, 29.97) | |
| 7:99367818 | rs147752776 | I>T | A:120 | (46.72, -19.65, 32.41) |
| 7:99367815 | A>G | A:121 | (50.93, -20.28, 33.36) | |
| 7:99367811 | E>D | A:122 | (53.07, -16.61, 33.85) | |
| 7:99367808 | D>E | A:123 | (57.61, -17.94, 33.45) | |
| 7:99367810 | D>Y | A:123 | (57.61, -17.94, 33.45) | |
| 7:99367806 | E>G | A:124 | (60.00, -20.68, 36.63) | |
| 7:99367792 | rs551809042 | L>I | A:129 | (53.04, -27.39, 35.70) |
| 7:99367788 | rs72552799 | R>Q | A:130 | (54.80, -28.80, 29.41) |
| 7:99367776 | rs376124415 | S>C | A:134 | (54.74, -34.50, 30.01) |
| 7:99367771 | T>A | A:136 | (50.34, -37.97, 30.86) | |
| 7:99367761 | S>T | A:139 | (53.59, -44.41, 23.80) | |
| 7:99367470 | rs546282579 | I>V | A:148 | (39.74, -47.58, 28.65) |
| 7:99367464 | A>S | A:150 | (36.76, -49.09, 23.17) | |
| 7:99367427 | rs4986907 | R>Q | A:162 | (19.36, -46.14, 21.42) |
| 7:99367428 | rs57409622 | R>W | A:162 | (19.36, -46.14, 21.42) |
| 7:99367415 | T>I | A:166 | (14.14, -43.44, 14.99) | |
| 7:99367412 | G>A | A:167 | (15.44, -40.96, 12.41) | |
| 7:99367413 | G>R | A:167 | (15.44, -40.96, 12.41) | |
| 7:99367408 | rs568779023 | K>N | A:168 | (15.99, -38.19, 16.21) |
| 7:99367404 | rs72552798 | V>I | A:170 | (21.47, -36.32, 16.00) |
| 7:99367392 | rs4986908 | D>H | A:174 | (24.62, -33.64, 22.91) |
| 7:99366124 | rs547453529 COSM3412566 |
V>I | A:175 | (26.67, -37.94, 21.36) |
| 7:99366121 | F>L | A:176 | (30.55, -37.23, 19.33) | |
| 7:99366115 | rs538632608 | A>S | A:178 | (29.40, -37.79, 26.42) |
| 7:99366111 | Y>S | A:179 | (33.44, -40.73, 23.48) | |
| 7:99366096 | I>T | A:184 | (39.09, -37.10, 29.97) | |
| 7:99366093 | rs12721627 | T>S | A:185 | (36.88, -38.86, 33.27) |
| 7:99366091 | S>G | A:186 | (38.57, -42.55, 32.46) | |
| 7:99366082 | F>L | A:189 | (40.51, -38.28, 36.85) | |
| 7:99366070 | rs3208361 | I>V | A:193 | (30.71, -40.42, 34.82) |
| 7:99366067 | rs548684407 COSM1313500 |
D>N | A:194 | (27.63, -43.71, 32.53) |
| 7:99366043 | rs559410716 COSM3642946 |
P>S | A:202 | (26.53, -33.55, 36.24) |
| 7:99366006 | rs372755437 | D>G | A:214 | (30.31, -13.07, 23.84) |
| 7:99365994 | rs55901263 | P>R | A:218 | (29.51, -6.49, 28.65) |
| 7:99365992 | rs181612501 | F>L | A:219 | (32.99, -9.51, 32.12) |
| 7:99365989 | F>V | A:220 | (33.80, -11.76, 28.66) | |
| 7:99365983 | rs55785340 | S>P | A:222 | (35.23, -4.57, 29.43) |
| 7:99365978 | rs565580106 | I>M | A:223 | (38.07, -7.79, 30.38) |
| 7:99364873 | P>T | A:227 | (43.15, -4.30, 30.80) | |
| 7:99364870 | F>L | A:228 | (41.87, -0.60, 33.83) | |
| 7:99364848 | V>A | A:235 | (40.10, -8.14, 45.23) | |
| 7:99364839 | I>T | A:238 | (34.92, -11.45, 40.37) | |
| 7:99364836 | C>F | A:239 | (35.91, -15.02, 37.83) | |
| 7:99364824 | R>T | A:243 | (30.96, -18.71, 43.31) | |
| 7:99364813 | COSM1093883 | N>D | A:247 | (32.57, -24.70, 43.69) |
| 7:99364788 | R>K | A:255 | (33.66, -36.16, 45.25) | |
| 7:99364773 | rs374799825 | R>H | A:260 | (43.63, -43.11, 42.87) |
| 7:99364774 | R>C | A:260 | (43.63, -43.11, 42.87) | |
| 7:99364768 | rs199908125 COSM3721395 |
E>K | A:262 | (40.19, -44.27, 50.25) |
| 7:99364062 | rs145582851 | R>Q | A:268 | (45.96, -46.62, 34.94) |
| 7:99364036 | D>N | A:277 | (53.38, -38.97, 42.88) | |
| 7:99361632 | S>F | A:291 | (48.58, -27.36, 45.74) | |
| 7:99361630 | rs540702483 COSM3642943 |
D>N | A:292 | (45.02, -29.53, 46.89) |
| 7:99361626 | rs28371759 | L>P | A:293 | (43.65, -25.08, 44.81) |
| 7:99361618 | rs138675831 | V>M | A:296 | (41.65, -28.60, 40.69) |
| 7:99361609 | S>P | A:299 | (41.88, -31.12, 36.44) | |
| 7:99361591 | rs71581996 | A>S | A:305 | (39.86, -30.36, 26.42) |
| 7:99361579 | T>A | A:309 | (38.25, -29.50, 21.95) | |
| 7:99361575 | T>M | A:310 | (37.37, -33.69, 21.47) | |
| 7:99361566 | V>G | A:313 | (36.94, -31.61, 16.15) | |
| 7:99361563 | rs190354371 | L>P | A:314 | (34.41, -35.48, 16.54) |
| 7:99361560 | S>F | A:315 | (31.18, -32.27, 15.13) | |
| 7:99361509 | Q>R | A:332 | (32.99, -45.97, 4.90) | |
| 7:99361500 | rs368296206 | I>T | A:335 | (37.88, -48.48, 8.32) |
| 7:99361496 | D>E | A:336 | (36.36, -51.82, 5.72) | |
| 7:99361478 | K>N | A:342 | (32.37, -54.82, 12.49) | |
| 7:99359884 | P>S | A:345 | (40.29, -50.54, 16.92) | |
| 7:99359858 | M>I | A:353 | (44.14, -45.70, 9.19) | |
| 7:99359843 | M>I | A:358 | (44.13, -37.34, 4.66) | |
| 7:99359845 | M>V | A:358 | (44.13, -37.34, 4.66) | |
| 7:99359812 | rs145669559 | I>V | A:369 | (40.60, -24.98, 18.36) |
| 7:99359809 | A>S | A:370 | (43.11, -22.02, 17.80) | |
| 7:99359800 | rs12721629 | L>F | A:373 | (48.84, -19.11, 18.13) |
| 7:99359751 | P>L | A:389 | (58.70, -4.09, 21.22) | |
| 7:99359752 | P>S | A:389 | (58.70, -4.09, 21.22) | |
| 7:99359743 | V>M | A:392 | (53.91, -6.58, 22.03) | |
| 7:99359732 | M>I | A:395 | (49.00, -12.78, 16.40) | |
| 7:99359734 | rs142425279 | M>V | A:395 | (49.00, -12.78, 16.40) |
| 7:99359730 | rs148633152 | I>T | A:396 | (50.46, -16.76, 15.10) |
| 7:99359724 | S>N | A:398 | (46.02, -19.93, 12.50) | |
| 7:99359709 | rs372231982 COSM3412565 |
R>P | A:403 | (40.86, -20.61, 5.41) |
| 7:99359710 | rs143966082 | R>C | A:403 | (40.86, -20.61, 5.41) |
| 7:99358599 | S>I | A:420 | (49.31, -36.65, 0.72) | |
| 7:99358600 | S>G | A:420 | (49.31, -36.65, 0.72) | |
| 7:99358581 | rs139109027 | N>S | A:426 | (54.26, -29.45, -0.03) |
| 7:99358579 | I>V | A:427 | (52.15, -28.79, 4.40) | |
| 7:99358574 | D>E | A:428 | (55.31, -24.97, 6.49) | |
| 7:99358576 | D>H | A:428 | (55.31, -24.97, 6.49) | |
| 7:99358572 | P>R | A:429 | (55.62, -26.62, 9.74) | |
| 7:99358560 | T>I | A:433 | (49.82, -24.46, 13.62) | |
| 7:99358552 | G>R | A:436 | (51.15, -25.74, 17.46) | |
| 7:99358524 | rs4986910 | M>T | A:445 | (48.84, -33.71, 19.79) |
| 7:99358513 | L>F | A:449 | (45.02, -37.30, 17.01) | |
| 7:99358509 | M>T | A:450 | (44.19, -42.14, 19.95) | |
| 7:99358503 | M>T | A:452 | (39.45, -37.78, 17.46) | |
| 7:99358504 | COSM1661355 | M>L | A:452 | (39.45, -37.78, 17.46) |
| 7:99358499 | K>N | A:453 | (41.93, -41.32, 14.72) | |
| 7:99358497 | L>P | A:454 | (39.47, -44.85, 18.36) | |
| 7:99358480 | rs530166880 | L>F | A:460 | (32.60, -44.46, 9.84) |
| 7:99358467 | S>F | A:464 | (26.03, -43.14, 7.50) | |
| 7:99358459 | rs4986913 | P>S | A:467 | (22.32, -34.18, 5.28) |
| 7:99358443 | rs370772300 | Q>R | A:472 | (23.60, -24.29, 9.20) |
| 7:99355850 | I>N | A:473 | (24.11, -26.28, 4.44) | |
| 7:99355836 | rs60535349 | S>C | A:478 | (30.19, -17.87, 16.13) |
| 7:99355827 | rs374814627 | G>R | A:481 | (34.46, -16.95, 20.51) |
| 7:99355814 | P>R | A:485 | (28.89, -23.76, 15.40) | |
| 7:99355805 | COSM3642939 | P>H | A:488 | (23.63, -26.55, 16.40) |
| 7:99355803 | rs138550343 | V>I | A:489 | (25.95, -30.08, 14.14) |
| 7:99355800 | V>F | A:490 | (21.83, -31.40, 13.10) | |
| 7:99355790 | V>A | A:493 | (22.18, -41.77, 11.80) |
[+] COSMIC Missense Variants
| Position | Variant | AA Change | PDB Chain Position | Structure Coordinates |
|---|---|---|---|---|
| 7:99367821 | COSM1699003 | S>F | A:119 | (47.24, -22.79, 29.97) |
| 7:99367804 | COSM228099 | E>K | A:125 | (54.06, -21.87, 38.00) |
| 7:99367451 | COSM1643446 | D>G | A:154 | (31.24, -50.29, 22.12) |
| 7:99366010 | COSM218936 | F>I | A:213 | (34.64, -14.77, 25.29) |
| 7:99365994 | COSM3642945 | P>L | A:218 | (29.51, -6.49, 28.65) |
| 7:99364768 | COSM3721395 | E>K | A:262 | (40.19, -44.27, 50.25) |
| 7:99359710 | COSM2867506 | R>C | A:403 | (40.86, -20.61, 5.41) |