4I8V.B | CYP1A1

General Structure Information

PDB ID	4i8v
HGNC Gene Label(s)	CYP1A1
Structure Name	human cytochrome p450 1a1 in complex with alpha-naphthoflavone
Resolution	2.6Å
Reference	AUTH A.A.WALSH,G.D.SZKLARZ,E.E.SCOTTTITL HUMAN CYTOCHROME P450 1A1 STRUCTURE AND UTILITY INTITL 2 UNDERSTANDING DRUG AND XENOBIOTIC METABOLISM.REF J.BIOL.CHEM. V. 288 12932 2013REFN ISSN 0021-9258PMID 23508959DOI 10.1074/JBC.M113.452953

Variant Set Distributions

ExAC Variants

Number Of Residues	471
Number Of SNVs	164
Number Of Permutations	60260
Optimal Distance Threshold	11.0
K Statistic	0.055
p-value	0.235

COSMIC

Number Of Residues	471
Number Of SNVs	11
Number Of Permutations	7230
Optimal Distance Threshold	5.0
K Statistic	0.018
p-value	0.499

Ripley’s K Analysis Plots

ExACCOSMIC

Variant Set Comparisons

Cosmic vs. ExAC

Number Of ExAC SNVs	164
Number Of COSMIC SNVs	10
Optimal Distance Threshold	5.0
K Statistic	0.019
p-value	0.777

Mapped Variants

[+] ExAC Missense Variants

Position	Variant	AA Change	PDB Chain Position	Structure Coordinates
15:75015305	rs4646422	G>D	B:45	(-0.69, 67.86, 0.71)
15:75015306		G>R	B:45	(-0.69, 67.86, 0.71)
15:75015301		W>C	B:46	(0.37, 69.74, 4.92)
15:75015299		P>H	B:47	(-2.04, 64.89, 5.53)
15:75015293	rs565370983	I>T	B:49	(-5.42, 70.48, 6.09)
15:75015290		G>E	B:50	(-4.41, 69.93, 2.66)
15:75015291		G>R	B:50	(-4.41, 69.93, 2.66)
15:75015268		K>N	B:57	(-8.07, 86.10, 1.37)
15:75015263	rs149846182	P>L	B:59	(-9.71, 80.95, -3.71)
15:75015258		L>V	B:61	(-6.31, 84.63, -7.20)
15:75015255	rs143070677	A>P	B:62	(-4.79, 80.30, -6.15)
15:75015241		M>I	B:66	(-2.71, 75.57, -9.00)
15:75015243	rs35035798	M>V	B:66	(-2.71, 75.57, -9.00)
15:75015238		S>R	B:67	(-3.84, 76.38, -13.60)
15:75015239		S>N	B:67	(-3.84, 76.38, -13.60)
15:75015222	rs373568981 COSM1374559	V>M	B:73	(-8.18, 68.97, -15.10)
15:75015215	rs554072118	Q>P	B:75	(-6.82, 66.40, -7.64)
15:75015206	rs17861094	I>T	B:78	(-10.58, 70.89, 1.14)
15:75015200	rs373246855	S>F	B:80	(-10.66, 64.64, 3.51)
15:75015197	rs138474634	T>I	B:81	(-12.68, 66.53, 0.64)
15:75015195	rs537005466	P>S	B:82	(-11.69, 65.18, -2.73)
15:75015192		V>M	B:83	(-11.85, 69.14, -5.10)
15:75015177	rs77425771	G>S	B:88	(-10.98, 76.62, -19.35)
15:75015170		D>G	B:90	(-12.86, 73.84, -24.43)
15:75015167		T>I	B:91	(-12.27, 72.27, -20.42)
15:75015162	rs2229150	R>W	B:93	(-17.39, 76.11, -23.92)
15:75015155	rs373137650	A>V	B:95	(-18.23, 69.65, -18.96)
15:75015146	rs368952331	R>Q	B:98	(-19.22, 69.66, -25.29)
15:75015147	COSM84300	R>W	B:98	(-19.22, 69.66, -25.29)
15:75015140		G>V	B:100	(-23.64, 67.89, -18.18)
15:75015138	rs141173079	D>N	B:101	(-26.15, 64.95, -17.57)
15:75015132	rs548096213	F>V	B:103	(-19.76, 67.45, -14.72)
15:75015123	COSM3503970 rs34045449	R>W	B:106	(-25.05, 71.61, -7.02)
15:75015116	rs373368945	D>A	B:108	(-23.15, 66.69, 0.15)
15:75015108		T>A	B:111	(-23.32, 75.57, 3.96)
15:75015096		I>V	B:115	(-29.92, 77.34, 2.12)
15:75015086		G>D	B:118	(-32.63, 71.88, 2.90)
15:75015069		S>G	B:124	(-29.92, 70.76, -3.24)
15:75015061		D>E	B:126	(-32.14, 67.29, -6.23)
15:75015062		D>A	B:126	(-32.14, 67.29, -6.23)
15:75015063	rs375219443	D>N	B:126	(-32.14, 67.29, -6.23)
15:75015053		P>L	B:129	(-36.58, 64.77, -11.99)
15:75015045	rs35196245	A>P	B:132	(-36.08, 69.99, -13.49)
15:75015038	rs367709511 COSM195759	R>H	B:134	(-37.74, 72.87, -7.82)
15:75015035		R>Q	B:135	(-33.93, 75.20, -14.10)
15:75015036	rs45442501	R>W	B:135	(-33.93, 75.20, -14.10)
15:75015032	rs202201538 COSM964884	R>H	B:136	(-39.52, 72.52, -15.86)
15:75015033	rs141291433	R>C	B:136	(-39.52, 72.52, -15.86)
15:75015009		S>R	B:144	(-44.52, 85.34, -17.02)
15:75014961	COSM236083	E>K	B:160	(-39.06, 98.56, -19.27)
15:75014958	rs368890165	E>K	B:161	(-43.09, 99.45, -16.25)
15:75014954		H>R	B:162	(-41.10, 96.84, -12.40)
15:75014939	rs372215528	A>G	B:167	(-34.53, 104.86, -11.41)
15:75014909		L>P	B:177	(-28.25, 112.26, 0.10)
15:75014901		G>R	B:180	(-26.97, 117.51, 2.63)
15:75014873		Y>C	B:189	(-29.15, 104.66, -0.78)
15:75014871		V>M	B:190	(-28.59, 100.25, -5.29)
15:75014852		N>S	B:196	(-38.00, 97.18, -5.04)
15:75014853	rs151244239	N>D	B:196	(-38.00, 97.18, -5.04)
15:75014828	rs142255433	G>V	B:204	(-45.76, 92.97, -5.47)
15:75014825	rs199734551 COSM4128398	R>Q	B:205	(-45.21, 94.07, -1.29)
15:75014826	rs201182659	R>W	B:205	(-45.21, 94.07, -1.29)
15:75014822	rs371913955 COSM964883	R>H	B:206	(-41.93, 99.91, -3.75)
15:75014820		Y>D	B:207	(-40.69, 97.23, 0.55)
15:75014814	rs148803099	H>N	B:209	(-34.77, 103.82, -0.64)
15:75014808		H>Y	B:211	(-38.96, 99.40, 5.28)
15:75014799	rs577523247	L>V	B:214	(-35.95, 95.42, 3.20)
15:75014782		N>K	B:219	(-28.20, 96.54, 4.33)
15:75014774		N>S	B:222	(-25.69, 89.94, 3.20)
15:75014735		D>A	B:235	(-18.28, 72.98, 3.90)
15:75014736		D>H	B:235	(-18.28, 72.98, 3.90)
15:75014727	rs61747605	P>S	B:238	(-16.04, 69.19, 10.65)
15:75014718	rs149687459	R>C	B:241	(-19.54, 72.03, 10.77)
15:75014711		L>R	B:243	(-15.97, 75.84, 17.22)
15:75014704		N>K	B:245	(-18.79, 80.37, 13.56)
15:75014706	rs555078861	N>D	B:245	(-18.79, 80.37, 13.56)
15:75014703		P>S	B:246	(-19.59, 84.24, 14.25)
15:75014696	rs374229319	L>P	B:248	(-22.09, 79.75, 10.53)
15:75014692	COSM1678586	N>K	B:249	(-24.22, 82.15, 14.11)
15:75014693	COSM1678587	N>I	B:249	(-24.22, 82.15, 14.11)
15:75014688		F>V	B:251	(-25.57, 81.59, 6.53)
15:75014674		N>K	B:255	(-31.05, 81.68, 5.77)
15:75014656		F>L	B:261	(-40.07, 88.14, 3.62)
15:75014655		M>V	B:262	(-41.29, 82.74, 2.22)
15:75014647	rs139496485	K>N	B:264	(-45.00, 87.82, 5.89)
15:75014645		M>R	B:265	(-45.13, 87.62, 1.45)
15:75014646	rs150514993	M>V	B:265	(-45.13, 87.62, 1.45)
15:75014637		E>K	B:268	(-49.79, 88.47, 3.07)
15:75014634		H>N	B:269	(-49.67, 86.55, -1.94)
15:75014616		K>E	B:275	(-58.30, 79.88, -9.56)
15:75014048		R>Q	B:279	(-51.18, 88.91, -7.59)
15:75014049	rs34260157	R>W	B:279	(-51.18, 88.91, -7.59)
15:75014043		I>V	B:281	(-43.51, 84.43, -9.31)
15:75014033		S>N	B:284	(-47.39, 80.97, -10.12)
15:75014030		L>P	B:285	(-45.60, 78.91, -7.35)
15:75014027	rs4987133	I>T	B:286	(-50.07, 79.46, -4.86)
15:75014009		K>T	B:292	(-52.40, 64.92, -9.91)
15:75013971		E>K	B:305	(-41.50, 73.47, 1.41)
15:75013966		K>N	B:306	(-39.57, 71.14, -2.60)
15:75013953	rs376586536	V>I	B:311	(-39.70, 82.61, -4.54)
15:75013944		L>F	B:314	(-35.83, 83.60, -7.79)
15:75013940		F>C	B:315	(-35.75, 88.10, -3.22)
15:75013934		A>V	B:317	(-30.37, 85.97, -6.68)
15:75013932	rs373178275	G>R	B:318	(-31.43, 88.88, -7.75)
15:75013838		D>G	B:320	(-26.79, 89.87, -4.08)
15:75013826		T>S	B:324	(-23.03, 93.28, -6.87)
15:75013827		T>A	B:324	(-23.03, 93.28, -6.87)
15:75013824	rs201691396	A>S	B:325	(-23.21, 94.63, -10.69)
15:75013821		I>V	B:326	(-25.29, 98.04, -10.42)
15:75013810		S>R	B:329	(-20.64, 99.51, -12.55)
15:75013804	rs56313657	M>I	B:331	(-16.80, 101.58, -7.92)
15:75013796		V>A	B:334	(-16.07, 106.88, -10.23)
15:75013790	COSM701195	N>S	B:336	(-12.70, 104.90, -15.20)
15:75013770		I>L	B:343	(-21.37, 105.78, -21.61)
15:75013765		Q>H	B:344	(-22.53, 110.23, -20.72)
15:75013760		E>G	B:346	(-23.36, 105.76, -26.99)
15:75013660		T>I	B:349	(-25.34, 110.44, -30.20)
15:75013657		V>A	B:350	(-28.34, 107.18, -29.85)
15:75013654		I>T	B:351	(-31.34, 108.30, -27.01)
15:75013649		R>G	B:353	(-30.79, 114.85, -23.01)
15:75013642		R>Q	B:355	(-35.91, 108.75, -26.00)
15:75013639	rs368650547 COSM4056908	R>Q	B:356	(-37.15, 107.65, -19.81)
15:75013636	rs148341881	P>L	B:357	(-33.79, 105.21, -21.99)
15:75013633	rs186168141	R>Q	B:358	(-37.72, 101.74, -23.75)
15:75013620		R>S	B:362	(-29.30, 95.84, -24.99)
15:75013621	rs200723875	R>I	B:362	(-29.30, 95.84, -24.99)
15:75013618	COSM1301419	S>F	B:363	(-29.05, 96.81, -29.93)
15:75013606		Y>C	B:367	(-18.49, 102.19, -24.72)
15:75013604		M>V	B:368	(-23.28, 100.43, -22.18)
15:75013599		E>D	B:369	(-22.70, 95.32, -24.05)
15:75013594	rs375093189	F>Y	B:371	(-19.25, 99.53, -18.61)
15:75013591		I>S	B:372	(-21.90, 95.82, -19.02)
15:75013588		L>P	B:373	(-19.21, 92.68, -21.36)
15:75013576	rs201174966 COSM195758	R>Q	B:377	(-12.88, 90.89, -17.82)
15:75013568		S>A	B:380	(-15.16, 88.25, -12.06)
15:75013562	rs201651069 COSM1374557	V>I	B:382	(-19.32, 85.22, -9.98)
15:75013550	rs367605080	I>V	B:386	(-22.65, 77.16, -7.44)
15:75013380		T>R	B:394	(-16.47, 60.84, -15.98)
15:75013375		L>V	B:396	(-12.67, 66.02, -18.69)
15:75013350		G>E	B:404	(-19.14, 62.54, -6.23)
15:75013347	rs56127934	R>H	B:405	(-14.84, 63.73, -6.68)
15:75013344		C>Y	B:406	(-16.47, 68.28, -5.68)
15:75013329		Q>P	B:411	(-16.40, 81.86, -13.95)
15:75013327	rs377421606	W>R	B:412	(-10.24, 85.52, -11.96)
15:75013321		I>V	B:414	(-12.08, 82.10, -18.31)
15:75013114	rs138804663	K>E	B:419	(-2.97, 82.02, -23.19)
15:75013106	rs578124762	W>C	B:421	(-9.41, 88.17, -22.50)
15:75013105		V>I	B:422	(-4.33, 91.66, -24.24)
15:75013098		P>L	B:424	(-6.13, 91.09, -18.30)
15:75013099		P>T	B:424	(-6.13, 91.09, -18.30)
15:75013077		R>Q	B:431	(-10.78, 94.31, -24.07)
15:75013078		R>W	B:431	(-10.78, 94.31, -24.07)
15:75013054		I>V	B:439	(-20.01, 94.12, -29.74)
15:75013050		D>V	B:440	(-16.39, 90.88, -31.07)
15:75013047	COSM701196	K>R	B:441	(-20.93, 87.26, -31.12)
15:75013030		V>L	B:447	(-17.36, 86.90, -20.82)
15:75013024		I>F	B:449	(-20.44, 85.69, -15.02)
15:75013017		G>V	B:451	(-22.18, 79.89, -16.88)
15:75013013		M>I	B:452	(-21.60, 76.94, -19.13)
15:75013012		G>R	B:453	(-25.67, 74.70, -19.13)
15:75013007	rs369745647	K>N	B:454	(-27.55, 71.24, -18.41)
15:75013005	rs180744198	R>Q	B:455	(-27.53, 73.48, -12.18)
15:75013006		R>W	B:455	(-27.53, 73.48, -12.18)
15:75012999		C>Y	B:457	(-28.29, 81.54, -14.96)
15:75012994	rs371662141 COSM964878	G>S	B:459	(-31.29, 85.42, -15.08)
15:75012985	rs1048943	I>V	B:462	(-33.65, 89.48, -16.07)
15:75012981	rs2278970	A>V	B:463	(-29.60, 90.86, -15.56)
15:75012948	rs147634852	L>P	B:474	(-28.97, 106.52, -13.83)
15:75012943		Q>E	B:476	(-30.05, 110.29, -19.82)
15:75012940	rs56240201	R>W	B:477	(-31.65, 111.96, -15.76)
15:75012937		V>M	B:478	(-26.68, 111.53, -13.69)
15:75012933		E>V	B:479	(-22.04, 113.43, -13.96)
15:75012925	rs28399429	V>M	B:482	(-14.97, 110.49, -6.41)
15:75012922	rs45500996	P>S	B:483	(-13.47, 113.03, -4.51)
15:75012907		V>M	B:488	(-11.41, 103.97, -3.58)
15:75012897		T>N	B:491	(-10.01, 95.00, -3.54)
15:75012894	rs28399430	P>R	B:492	(-12.01, 92.14, -4.76)
15:75012888	rs367604147	Y>C	B:494	(-14.13, 84.52, -2.15)
15:75012886	rs142388113	G>W	B:495	(-17.35, 85.06, -2.88)
15:75012876		M>T	B:498	(-16.58, 89.21, -5.39)
15:75012870		H>L	B:500	(-17.28, 97.05, -3.05)
15:75012867		A>V	B:501	(-15.44, 98.25, 0.15)
15:75012861		C>F	B:503	(-17.68, 104.09, -0.62)
15:75012850	COSM74309	Q>E	B:507	(-19.98, 113.55, -5.18)
15:75012838	rs148638069	R>C	B:511	(-25.85, 115.06, -18.07)

4I8V.B | CYP1A1.

4I8V.B | CYP1A1

General Structure Information

Variant Set Distributions

Ripley’s K Analysis Plots

Variant Set Comparisons

Mapped Variants

[+] ExAC Missense Variants

[+] COSMIC Missense Variants

Position	Variant	AA Change	PDB Chain Position	Structure Coordinates
15:75015222	COSM1374559	V>M	B:73	(-8.18, 68.97, -15.10)
15:75015038	COSM195759	R>H	B:134	(-37.74, 72.87, -7.82)
15:75014822	COSM964883	R>H	B:206	(-41.93, 99.91, -3.75)
15:75014789	COSM1284385	L>Q	B:217	(-33.80, 91.01, 4.65)
15:75014717	COSM964880	R>H	B:241	(-19.54, 72.03, 10.77)
15:75013576	COSM195758	R>Q	B:377	(-12.88, 90.89, -17.82)
15:75013562	COSM1374557	V>I	B:382	(-19.32, 85.22, -9.98)
15:75012987	COSM3754467	T>N	B:461	(-32.06, 87.95, -19.82)
15:75012985	COSM3999600	I>V	B:462	(-33.65, 89.48, -16.07)
15:75012940	COSM32532	R>W	B:477	(-31.65, 111.96, -15.76)
15:75012925	COSM195757	V>M	B:482	(-14.97, 110.49, -6.41)