SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5kk5'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)

Filter list by:

	DrReposER ID / Desc.	Hit PDBID	Hit Macromolecule	Res. Matches	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1D4Y_A_TPVA501_1 (PROTEIN (HIV-1 PROTEASE))	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 10	LEU A 66 ILE A 121 GLY A 112 ILE A 111 VAL A 69	None	1.07A	1d4yA-5kk5A: undetectable	1d4yA-5kk5A: 6.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1I9G_A_SAMA301_1 (HYPOTHETICAL PROTEIN RV2118C)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	3 / 3	GLU A1099 HIS A1096 ASP A1207	None	0.72A	1i9gA-5kk5A: undetectable	1i9gA-5kk5A: 11.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KYV_A_RBFA501_1 (6,7-DIMETHYL-8-RIBIT YLLUMAZINE SYNTHASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	GLY A1196 SER A1197 ILE A1199 ILE A1114 LEU A1104	None	1.16A	1kyvA-5kk5A: undetectable 1kyvE-5kk5A: undetectable	1kyvA-5kk5A: 7.76 1kyvE-5kk5A: 7.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KYV_C_RBFC503_1 (6,7-DIMETHYL-8-RIBIT YLLUMAZINE SYNTHASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	ILE A1114 LEU A1104 GLY A1196 SER A1197 ILE A1199	None	1.16A	1kyvB-5kk5A: undetectable 1kyvC-5kk5A: undetectable	1kyvB-5kk5A: 7.76 1kyvC-5kk5A: 7.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KYV_D_RBFD504_1 (6,7-DIMETHYL-8-RIBIT YLLUMAZINE SYNTHASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	ILE A1114 LEU A1104 GLY A1196 SER A1197 ILE A1199	None	1.15A	1kyvC-5kk5A: undetectable 1kyvD-5kk5A: undetectable	1kyvC-5kk5A: 7.76 1kyvD-5kk5A: 7.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KYV_E_RBFE505_1 (6,7-DIMETHYL-8-RIBIT YLLUMAZINE SYNTHASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	ILE A1114 LEU A1104 GLY A1196 SER A1197 ILE A1199	None	1.12A	1kyvD-5kk5A: undetectable 1kyvE-5kk5A: undetectable	1kyvD-5kk5A: 7.76 1kyvE-5kk5A: 7.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1NSI_C_H4BC602_1 (PROTEIN (NITRIC OXIDE SYNTHASE))	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 6	ARG A1194 ILE A1191 PHE A1193 GLU A1188	None	1.43A	1nsiC-5kk5A: undetectable 1nsiD-5kk5A: undetectable	1nsiC-5kk5A: 16.37 1nsiD-5kk5A: 16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1RH3_A_MTXA161_1 (DIHYDROFOLATE REDUCTASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	LEU A 17 LYS A 15 ILE A 779 LEU A 877 TYR A 595	None G B 0 ( 2.8A) None None None	1.32A	1rh3A-5kk5A: undetectable	1rh3A-5kk5A: 7.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1SDT_B_MK1B902_1 (PROTEASE RETROPEPSIN)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 10	LEU A 66 ILE A 121 GLY A 112 ILE A 111 VAL A 69	None	0.97A	1sdtA-5kk5A: undetectable	1sdtA-5kk5A: 6.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1T9U_A_CPFA5002_1 (ACRIFLAVINE RESISTANCE PROTEIN B)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 6	PHE A 306 ASN A 197 ARG A 313 GLN A 252	C B 7 ( 3.4A) None C B 7 ( 4.1A) None	1.47A	1t9uA-5kk5A: undetectable	1t9uA-5kk5A: 22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1U70_A_MTXA187_2 (DIHYDROFOLATE REDUCTASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 4	SER A 778 ILE A 779 VAL A1027 THR A1046	None	1.02A	1u70A-5kk5A: undetectable	1u70A-5kk5A: 9.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2CDQ_B_SAMB1500_0 (ASPARTOKINASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 7	SER A1209 ASP A1213 LEU A1185 GLU A1188	None	1.06A	2cdqB-5kk5A: undetectable	2cdqB-5kk5A: 19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2OD9_A_NCAA3721_0 (NAD-DEPENDENT DEACETYLASE HST2)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	3 / 3	PHE A 632 PHE A 683 PHE A 679	None	0.82A	2od9A-5kk5A: undetectable	2od9A-5kk5A: 11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2QQG_A_NCAA3721_0 (NAD-DEPENDENT DEACETYLASE HST2)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	3 / 3	PHE A 632 PHE A 683 PHE A 679	None	0.82A	2qqgA-5kk5A: undetectable	2qqgA-5kk5A: 11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2R5Q_B_1UNB900_1 (PROTEASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 9	LEU A 66 ILE A 121 GLY A 112 ILE A 111 VAL A 69	None	1.16A	2r5qA-5kk5A: undetectable	2r5qA-5kk5A: 6.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2R5Q_D_1UND900_1 (PROTEASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 9	LEU A 66 ILE A 121 GLY A 112 ILE A 111 VAL A 69	None	1.16A	2r5qC-5kk5A: undetectable	2r5qC-5kk5A: 6.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2V57_A_PRLA1188_0 (TETR FAMILY TRANSCRIPTIONAL REPRESSOR LFRR)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 8	HIS A1269 ASN A1265 ILE A1237 ASP A1074	None	0.83A	2v57A-5kk5A: undetectable	2v57A-5kk5A: 9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2V57_C_PRLC1187_0 (TETR FAMILY TRANSCRIPTIONAL REPRESSOR LFRR)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 8	HIS A1269 ASN A1265 ILE A1237 ASP A1074	None	0.83A	2v57C-5kk5A: undetectable	2v57C-5kk5A: 9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2W8Y_A_486A1000_2 (PROGESTERONE RECEPTOR)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 7	ASN A 547 GLU A 549 MET A 604 TYR A 687	None	1.14A	2w8yA-5kk5A: undetectable	2w8yA-5kk5A: 11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2YY8_B_SAMB500_0 (UPF0106 PROTEIN PH0461)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 11	LEU A 281 GLY A 276 VAL A 225 ILE A 285 GLU A 279	None None None None A B 15 ( 4.8A)	0.97A	2yy8A-5kk5A: undetectable 2yy8B-5kk5A: undetectable	2yy8A-5kk5A: 10.08 2yy8B-5kk5A: 10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3D1Y_A_ROCA201_2 (HIV-1 PROTEASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 9	LEU A 66 ILE A 121 GLY A 112 ILE A 111 VAL A 69	None	1.14A	3d1yB-5kk5A: undetectable	3d1yB-5kk5A: 5.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3IA4_A_MTXA164_1 (DIHYDROFOLATE REDUCTASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	LEU A 17 LYS A 15 ILE A 779 LEU A 877 TYR A 595	None G B 0 ( 2.8A) None None None	1.28A	3ia4A-5kk5A: undetectable	3ia4A-5kk5A: 7.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3IIZ_A_SAMA1501_0 (BIOTIN SYNTHETASE, PUTATIVE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	GLY A 140 ILE A 111 TYR A 58 LEU A 132 TYR A 129	None	1.50A	3iizA-5kk5A: undetectable	3iizA-5kk5A: 14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4CX7_A_H4BA600_1 (NITRIC OXIDE SYNTHASE, INDUCIBLE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 8	SER A 236 ILE A 237 PHE A 241 GLU A 239	None	1.25A	4cx7A-5kk5A: undetectable 4cx7B-5kk5A: undetectable	4cx7A-5kk5A: 16.37 4cx7B-5kk5A: 16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4DR2_A_PARA1609_1 (16S RRNA 30S RIBOSOMAL PROTEIN S9 30S RIBOSOMAL PROTEIN S10)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	3 / 3	TYR A 704 ARG A 681 SER A 701	None	0.98A	4dr2I-5kk5A: undetectable 4dr2J-5kk5A: undetectable	4dr2I-5kk5A: 7.45 4dr2J-5kk5A: 6.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4G0V_A_MIXA1301_1 (DNA TOPOISOMERASE 2-BETA)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 7	ARG A1306 GLY A1078 ILE A1073 ASN A1265	None	1.07A	4g0vA-5kk5A: 2.4	4g0vA-5kk5A: 21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4KHP_A_PARA1606_1 (16S RIBOSOMAL RNA 30S RIBOSOMAL PROTEIN S9 30S RIBOSOMAL PROTEIN S10)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	3 / 3	TYR A 704 ARG A 681 SER A 701	None	0.87A	4khpI-5kk5A: undetectable 4khpJ-5kk5A: undetectable	4khpI-5kk5A: 7.66 4khpJ-5kk5A: 5.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4KIC_B_SAMB401_0 (METHYLTRANSFERASE MPPJ)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	ILE A 915 GLY A 910 ILE A1270 ALA A1267 ALA A1067	None	1.08A	4kicB-5kk5A: undetectable	4kicB-5kk5A: 13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4N49_A_SAMA601_1 (CAP-SPECIFIC MRNA (NUCLEOSIDE-2'-O-)-M ETHYLTRANSFERASE 1)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 4	ASN A1122 GLY A1100 ASP A1107 ASP A1102	None	1.13A	4n49A-5kk5A: undetectable	4n49A-5kk5A: 15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4NOS_B_H4BB1011_1 (INDUCIBLE NITRIC OXIDE SYNTHASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 7	PHE A1193 GLU A1188 ARG A1194 ILE A1191	None	1.49A	4nosA-5kk5A: undetectable 4nosB-5kk5A: undetectable	4nosA-5kk5A: 15.79 4nosB-5kk5A: 15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4NOS_D_H4BD3011_1 (INDUCIBLE NITRIC OXIDE SYNTHASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 6	PHE A1193 GLU A1188 ARG A1194 ILE A1191	None	1.48A	4nosC-5kk5A: undetectable 4nosD-5kk5A: undetectable	4nosC-5kk5A: 15.79 4nosD-5kk5A: 15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4OR0_A_NPSA603_1 (SERUM ALBUMIN)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 11	ARG A 341 LEU A 346 ASP A 451 LEU A 450 LEU A 443	None	1.32A	4or0A-5kk5A: undetectable	4or0A-5kk5A: 19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4UUU_B_SAMB1548_0 (CYSTATHIONINE BETA-SYNTHASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 11	LEU A1182 ASP A1112 ALA A1179 PRO A1178 VAL A1222	None	1.29A	4uuuB-5kk5A: undetectable	4uuuB-5kk5A: 8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4XP3_A_DX4A401_0 (MITOGEN-ACTIVATED PROTEIN KINASE 1)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 6	ALA A 449 GLN A 452 LEU A 450 LEU A 454	None	1.13A	4xp3A-5kk5A: undetectable	4xp3A-5kk5A: 14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4Z69_A_DIFA1007_1 (SERUM ALBUMIN)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 9	ARG A 341 LEU A 340 LEU A 477 SER A 473 ALA A 449	None	1.44A	4z69A-5kk5A: undetectable	4z69A-5kk5A: 20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5C0O_G_SAMG301_1 (TRNA (ADENINE(58)-N(1))-M ETHYLTRANSFERASE TRMI)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	3 / 3	GLU A1099 HIS A1096 ASP A1207	None	0.84A	5c0oG-5kk5A: undetectable	5c0oG-5kk5A: 12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5D0Y_A_FOLA201_0 (CONSERVED HYPOTHETICAL MEMBRANE PROTEIN)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	GLN A 536 GLY A 35 SER A 161 PHE A 165 ASN A 534	None	1.34A	5d0yA-5kk5A: 2.2	5d0yA-5kk5A: 9.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5E4D_B_BEZB203_0 (HYDROXYNITRILE LYASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 4	VAL A 990 ALA A1271 ILE A 917 THR A 918	None	1.04A	5e4dB-5kk5A: undetectable	5e4dB-5kk5A: 9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5FUK_A_SNPA1236_1 (MROUPO)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 7	ILE A 374 THR A 439 ILE A 442 LEU A 481	None	0.80A	5fukA-5kk5A: undetectable 5fukB-5kk5A: undetectable	5fukA-5kk5A: 10.96 5fukB-5kk5A: 10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5H4D_A_BBIA403_1 (NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 6	GLU A 728 PHE A 590 GLU A 736 VAL A 735	None	0.91A	5h4dA-5kk5A: undetectable	5h4dA-5kk5A: 10.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5IKT_B_TLFB601_0 (PROSTAGLANDIN G/H SYNTHASE 2)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 12	LEU A 310 SER A 311 LEU A 132 ALA A 62 LEU A 66	None	1.31A	5iktB-5kk5A: undetectable	5iktB-5kk5A: 17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5KR2_C_ROCC101_2 (PROTEASE PR5-SQV)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	5 / 9	LEU A 66 ILE A 121 GLY A 112 ILE A 111 VAL A 69	None	1.03A	5kr2D-5kk5A: undetectable	5kr2D-5kk5A: 6.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5PHH_A_LDPA414_1 (LYSINE-SPECIFIC DEMETHYLASE 4D)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 6	GLU A 98 ALA A 78 LEU A 76 TYR A 102	None	0.87A	5phhA-5kk5A: undetectable	5phhA-5kk5A: 14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	3 / 3	ARG A 393 ARG A 386 ARG A 411	None	0.98A	5vcgA-5kk5A: undetectable	5vcgA-5kk5A: 17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6G31_L_ZOLL401_0 (GERANYLGERANYL PYROPHOSPHATE SYNTHASE)	5kk5	CRISPR-ASSOCIATED ENDONUCLEASE CPF1 (Acidaminococcus sp. BV3L6)	4 / 6	ASP A1263 ASP A1261 ARG A1226 GLN A 941	None	1.24A	6g31L-5kk5A: 3.2	6g31L-5kk5A: 4.92

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1D4Y_A_TPVA501_1","PROTEIN (HIV-1 PROTEASE)","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A  66;ILE A 121;GLY A 112;ILE A 111;VAL A  69","None","1.07A","1d4yA-5kk5A:undetectable","1d4yA-5kk5A:6.03"],["1I9G_A_SAMA301_1","HYPOTHETICAL PROTEIN RV2118C","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",3,"GLU A1099;HIS A1096;ASP A1207","None","0.72A","1i9gA-5kk5A:undetectable","1i9gA-5kk5A:11.88"],["1KYV_A_RBFA501_1","6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE;6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"GLY A1196;SER A1197;ILE A1199;ILE A1114;LEU A1104","None","1.16A","1kyvA-5kk5A:undetectable;1kyvE-5kk5A:undetectable","1kyvA-5kk5A:7.76;1kyvE-5kk5A:7.76"],["1KYV_C_RBFC503_1","6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE;6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"ILE A1114;LEU A1104;GLY A1196;SER A1197;ILE A1199","None","1.16A","1kyvB-5kk5A:undetectable;1kyvC-5kk5A:undetectable","1kyvB-5kk5A:7.76;1kyvC-5kk5A:7.76"],["1KYV_D_RBFD504_1","6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE;6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"ILE A1114;LEU A1104;GLY A1196;SER A1197;ILE A1199","None","1.15A","1kyvC-5kk5A:undetectable;1kyvD-5kk5A:undetectable","1kyvC-5kk5A:7.76;1kyvD-5kk5A:7.76"],["1KYV_E_RBFE505_1","6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE;6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"ILE A1114;LEU A1104;GLY A1196;SER A1197;ILE A1199","None","1.12A","1kyvD-5kk5A:undetectable;1kyvE-5kk5A:undetectable","1kyvD-5kk5A:7.76;1kyvE-5kk5A:7.76"],["1NSI_C_H4BC602_1","PROTEIN (NITRIC OXIDE SYNTHASE);PROTEIN (NITRIC OXIDE SYNTHASE)","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"ARG A1194;ILE A1191;PHE A1193;GLU A1188","None","1.43A","1nsiC-5kk5A:undetectable;1nsiD-5kk5A:undetectable","1nsiC-5kk5A:16.37;1nsiD-5kk5A:16.37"],["1RH3_A_MTXA161_1","DIHYDROFOLATE REDUCTASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A  17;LYS A  15;ILE A 779;LEU A 877;TYR A 595","None;  G B   0 ( 2.8A);None;None;None","1.32A","1rh3A-5kk5A:undetectable","1rh3A-5kk5A:7.66"],["1SDT_B_MK1B902_1","PROTEASE RETROPEPSIN;PROTEASE RETROPEPSIN","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A  66;ILE A 121;GLY A 112;ILE A 111;VAL A  69","None","0.97A","1sdtA-5kk5A:undetectable","1sdtA-5kk5A:6.19"],["1T9U_A_CPFA5002_1","ACRIFLAVINE RESISTANCE PROTEIN B","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"PHE A 306;ASN A 197;ARG A 313;GLN A 252","  C B   7 ( 3.4A);None;  C B   7 ( 4.1A);None","1.47A","1t9uA-5kk5A:undetectable","1t9uA-5kk5A:22.15"],["1U70_A_MTXA187_2","DIHYDROFOLATE REDUCTASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"SER A 778;ILE A 779;VAL A1027;THR A1046","None","1.02A","1u70A-5kk5A:undetectable","1u70A-5kk5A:9.26"],["2CDQ_B_SAMB1500_0","ASPARTOKINASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"SER A1209;ASP A1213;LEU A1185;GLU A1188","None","1.06A","2cdqB-5kk5A:undetectable","2cdqB-5kk5A:19.06"],["2OD9_A_NCAA3721_0","NAD-DEPENDENT DEACETYLASE HST2","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",3,"PHE A 632;PHE A 683;PHE A 679","None","0.82A","2od9A-5kk5A:undetectable","2od9A-5kk5A:11.83"],["2QQG_A_NCAA3721_0","NAD-DEPENDENT DEACETYLASE HST2","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",3,"PHE A 632;PHE A 683;PHE A 679","None","0.82A","2qqgA-5kk5A:undetectable","2qqgA-5kk5A:11.83"],["2R5Q_B_1UNB900_1","PROTEASE;PROTEASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A  66;ILE A 121;GLY A 112;ILE A 111;VAL A  69","None","1.16A","2r5qA-5kk5A:undetectable","2r5qA-5kk5A:6.11"],["2R5Q_D_1UND900_1","PROTEASE;PROTEASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A  66;ILE A 121;GLY A 112;ILE A 111;VAL A  69","None","1.16A","2r5qC-5kk5A:undetectable","2r5qC-5kk5A:6.11"],["2V57_A_PRLA1188_0","TETR FAMILY TRANSCRIPTIONAL REPRESSOR LFRR","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"HIS A1269;ASN A1265;ILE A1237;ASP A1074","None","0.83A","2v57A-5kk5A:undetectable","2v57A-5kk5A:9.40"],["2V57_C_PRLC1187_0","TETR FAMILY TRANSCRIPTIONAL REPRESSOR LFRR","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"HIS A1269;ASN A1265;ILE A1237;ASP A1074","None","0.83A","2v57C-5kk5A:undetectable","2v57C-5kk5A:9.40"],["2W8Y_A_486A1000_2","PROGESTERONE RECEPTOR","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"ASN A 547;GLU A 549;MET A 604;TYR A 687","None","1.14A","2w8yA-5kk5A:undetectable","2w8yA-5kk5A:11.40"],["2YY8_B_SAMB500_0","UPF0106 PROTEIN PH0461","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A 281;GLY A 276;VAL A 225;ILE A 285;GLU A 279","None;None;None;None;  A B  15 ( 4.8A)","0.97A","2yy8A-5kk5A:undetectable;2yy8B-5kk5A:undetectable","2yy8A-5kk5A:10.08;2yy8B-5kk5A:10.08"],["3D1Y_A_ROCA201_2","HIV-1 PROTEASE;HIV-1 PROTEASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A  66;ILE A 121;GLY A 112;ILE A 111;VAL A  69","None","1.14A","3d1yB-5kk5A:undetectable","3d1yB-5kk5A:5.79"],["3IA4_A_MTXA164_1","DIHYDROFOLATE REDUCTASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A  17;LYS A  15;ILE A 779;LEU A 877;TYR A 595","None;  G B   0 ( 2.8A);None;None;None","1.28A","3ia4A-5kk5A:undetectable","3ia4A-5kk5A:7.65"],["3IIZ_A_SAMA1501_0","BIOTIN SYNTHETASE, PUTATIVE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"GLY A 140;ILE A 111;TYR A  58;LEU A 132;TYR A 129","None","1.50A","3iizA-5kk5A:undetectable","3iizA-5kk5A:14.78"],["4CX7_A_H4BA600_1","NITRIC OXIDE SYNTHASE, INDUCIBLE;NITRIC OXIDE SYNTHASE, INDUCIBLE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"SER A 236;ILE A 237;PHE A 241;GLU A 239","None","1.25A","4cx7A-5kk5A:undetectable;4cx7B-5kk5A:undetectable","4cx7A-5kk5A:16.37;4cx7B-5kk5A:16.37"],["4DR2_A_PARA1609_1","16S RRNA;30S RIBOSOMAL PROTEIN S9;30S RIBOSOMAL PROTEIN S10","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",3,"TYR A 704;ARG A 681;SER A 701","None","0.98A","4dr2I-5kk5A:undetectable;4dr2J-5kk5A:undetectable","4dr2I-5kk5A:7.45;4dr2J-5kk5A:6.31"],["4G0V_A_MIXA1301_1","DNA TOPOISOMERASE 2-BETA","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"ARG A1306;GLY A1078;ILE A1073;ASN A1265","None","1.07A","4g0vA-5kk5A:2.4","4g0vA-5kk5A:21.52"],["4KHP_A_PARA1606_1","16S RIBOSOMAL RNA;30S RIBOSOMAL PROTEIN S9;30S RIBOSOMAL PROTEIN S10","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",3,"TYR A 704;ARG A 681;SER A 701","None","0.87A","4khpI-5kk5A:undetectable;4khpJ-5kk5A:undetectable","4khpI-5kk5A:7.66;4khpJ-5kk5A:5.49"],["4KIC_B_SAMB401_0","METHYLTRANSFERASE MPPJ","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"ILE A 915;GLY A 910;ILE A1270;ALA A1267;ALA A1067","None","1.08A","4kicB-5kk5A:undetectable","4kicB-5kk5A:13.77"],["4N49_A_SAMA601_1","CAP-SPECIFIC MRNA (NUCLEOSIDE-2'-O-)-METHYLTRANSFERASE 1","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"ASN A1122;GLY A1100;ASP A1107;ASP A1102","None","1.13A","4n49A-5kk5A:undetectable","4n49A-5kk5A:15.71"],["4NOS_B_H4BB1011_1","INDUCIBLE NITRIC OXIDE SYNTHASE;INDUCIBLE NITRIC OXIDE SYNTHASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"PHE A1193;GLU A1188;ARG A1194;ILE A1191","None","1.49A","4nosA-5kk5A:undetectable;4nosB-5kk5A:undetectable","4nosA-5kk5A:15.79;4nosB-5kk5A:15.79"],["4NOS_D_H4BD3011_1","INDUCIBLE NITRIC OXIDE SYNTHASE;INDUCIBLE NITRIC OXIDE SYNTHASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"PHE A1193;GLU A1188;ARG A1194;ILE A1191","None","1.48A","4nosC-5kk5A:undetectable;4nosD-5kk5A:undetectable","4nosC-5kk5A:15.79;4nosD-5kk5A:15.79"],["4OR0_A_NPSA603_1","SERUM ALBUMIN","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"ARG A 341;LEU A 346;ASP A 451;LEU A 450;LEU A 443","None","1.32A","4or0A-5kk5A:undetectable","4or0A-5kk5A:19.56"],["4UUU_B_SAMB1548_0","CYSTATHIONINE BETA-SYNTHASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A1182;ASP A1112;ALA A1179;PRO A1178;VAL A1222","None","1.29A","4uuuB-5kk5A:undetectable","4uuuB-5kk5A:8.05"],["4XP3_A_DX4A401_0","MITOGEN-ACTIVATED PROTEIN KINASE 1","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"ALA A 449;GLN A 452;LEU A 450;LEU A 454","None","1.13A","4xp3A-5kk5A:undetectable","4xp3A-5kk5A:14.65"],["4Z69_A_DIFA1007_1","SERUM ALBUMIN","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"ARG A 341;LEU A 340;LEU A 477;SER A 473;ALA A 449","None","1.44A","4z69A-5kk5A:undetectable","4z69A-5kk5A:20.08"],["5C0O_G_SAMG301_1","TRNA (ADENINE(58)-N(1))-METHYLTRANSFERASE TRMI","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",3,"GLU A1099;HIS A1096;ASP A1207","None","0.84A","5c0oG-5kk5A:undetectable","5c0oG-5kk5A:12.20"],["5D0Y_A_FOLA201_0","CONSERVED HYPOTHETICAL MEMBRANE PROTEIN","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"GLN A 536;GLY A  35;SER A 161;PHE A 165;ASN A 534","None","1.34A","5d0yA-5kk5A:2.2","5d0yA-5kk5A:9.30"],["5E4D_B_BEZB203_0","HYDROXYNITRILE LYASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"VAL A 990;ALA A1271;ILE A 917;THR A 918","None","1.04A","5e4dB-5kk5A:undetectable","5e4dB-5kk5A:9.24"],["5FUK_A_SNPA1236_1","MROUPO;MROUPO","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"ILE A 374;THR A 439;ILE A 442;LEU A 481","None","0.80A","5fukA-5kk5A:undetectable;5fukB-5kk5A:undetectable","5fukA-5kk5A:10.96;5fukB-5kk5A:10.96"],["5H4D_A_BBIA403_1","NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"GLU A 728;PHE A 590;GLU A 736;VAL A 735","None","0.91A","5h4dA-5kk5A:undetectable","5h4dA-5kk5A:10.20"],["5IKT_B_TLFB601_0","PROSTAGLANDIN G\/H SYNTHASE 2","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A 310;SER A 311;LEU A 132;ALA A  62;LEU A  66","None","1.31A","5iktB-5kk5A:undetectable","5iktB-5kk5A:17.54"],["5KR2_C_ROCC101_2","PROTEASE PR5-SQV;PROTEASE PR5-SQV","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",5,"LEU A  66;ILE A 121;GLY A 112;ILE A 111;VAL A  69","None","1.03A","5kr2D-5kk5A:undetectable","5kr2D-5kk5A:6.11"],["5PHH_A_LDPA414_1","LYSINE-SPECIFIC DEMETHYLASE 4D","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"GLU A  98;ALA A  78;LEU A  76;TYR A 102","None","0.87A","5phhA-5kk5A:undetectable","5phhA-5kk5A:14.09"],["5VCG_A_08YA602_2","CYTOCHROME P450 3A4","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",3,"ARG A 393;ARG A 386;ARG A 411","None","0.98A","5vcgA-5kk5A:undetectable","5vcgA-5kk5A:17.72"],["6G31_L_ZOLL401_0","GERANYLGERANYL PYROPHOSPHATE SYNTHASE","5kk5","CRISPR-ASSOCIATED ENDONUCLEASE CPF1","Acidaminococcus sp. BV3L6",4,"ASP A1263;ASP A1261;ARG A1226;GLN A 941","None","1.24A","6g31L-5kk5A:3.2","6g31L-5kk5A:4.92"]]