SIMILAR PATTERNS OF AMINO ACIDS FOR 3TKW_B_017B401_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)

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	Hit	Macromolecule/ Organism	Pfam	Res.	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.	1b4e	PROTEIN (5-AMINOLEVULINIC ACID DEHYDRATASE) (Escherichia coli)	PF00490 (ALAD)	5	GLY A 305 ALA A 306 ASP A 307 ILE A 255 ILE A 301	None	0.84A	3tkwA-1b4eA: undetectable	3tkwA-1b4eA: 13.73
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.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	LEU E 30 ASP E 32 GLY E 34 ASP E 37 ILE E 120	None	0.65A	3tkwA-1cziE: 6.7	3tkwA-1cziE: 16.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ALA A 28 ASP A 29 VAL A 32 GLY A 48 ILE A 84	A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.4A) A79 A 800 (-3.6A) A79 A 800 (-3.6A)	0.84A	3tkwA-1hvcA: 14.0	3tkwA-1hvcA: 47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A)	1.25A	3tkwA-1hvcA: 14.0	3tkwA-1hvcA: 47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A)	1.26A	3tkwA-1hvcA: 14.0	3tkwA-1hvcA: 47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 ( 4.4A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 (-3.6A)	0.39A	3tkwA-1hvcA: 14.0	3tkwA-1hvcA: 47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 ( 4.3A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A) A79 A 800 (-3.8A)	0.41A	3tkwA-1hvcA: 14.0	3tkwA-1hvcA: 47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 VAL A 82 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 ( 4.4A) A79 A 800 ( 3.7A) A79 A 800 (-4.5A) A79 A 800 (-3.6A)	0.37A	3tkwA-1hvcA: 14.0	3tkwA-1hvcA: 47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 VAL A 82 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 ( 4.3A) A79 A 800 (-3.4A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.31A	3tkwA-1hvcA: 14.0	3tkwA-1hvcA: 47.78
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.	1j9l	STATIONARY PHASE SURVIVAL PROTEIN (Thermotoga maritima)	PF01975 (SurE)	5	LEU A 4 GLY A 112 ALA A 113 VAL A 87 ILE A 90	None	0.93A	3tkwA-1j9lA: undetectable	3tkwA-1j9lA: 15.35
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.	1kae	HISTIDINOL DEHYDROGENASE (Escherichia coli)	PF00815 (Histidinol_dh)	5	GLY A 227 ALA A 228 ASP A 204 GLY A 196 ILE A 206	None	0.84A	3tkwA-1kaeA: undetectable	3tkwA-1kaeA: 12.33
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.	1lk5	D-RIBOSE-5-PHOSPHATE ISOMERASE (Pyrococcus horikoshii)	PF06026 (Rib_5-P_isom_A)	5	GLY A 101 ALA A 102 GLY A 207 ILE A 97 ILE A 179	CL A1001 (-3.4A) None None None None	0.90A	3tkwA-1lk5A: undetectable	3tkwA-1lk5A: 23.50
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.	1naa	CELLOBIOSE DEHYDROGENASE (Phanerochaete chrysosporium)	PF00732 (GMC_oxred_N) PF05199 (GMC_oxred_C)	5	GLY A 223 ALA A 224 VAL A 407 GLY A 305 ILE A 229	6FA A 801 (-3.0A) 6FA A 801 ( 4.9A) None 6FA A 801 (-3.5A) None	0.96A	3tkwA-1naaA: undetectable	3tkwA-1naaA: 11.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1q9p	HIV-1 PROTEASE (Homo sapiens)	PF00077 (RVP)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 84	None	0.50A	3tkwA-1q9pA: 10.2	3tkwA-1q9pA: 100.00
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.	1qho	ALPHA-AMYLASE (Geobacillus stearothermophilus)	PF00128 (Alpha-amylase) PF00686 (CBM_20) PF01833 (TIG) PF02806 (Alpha-amylase_C)	5	LEU A 71 GLY A 53 ASP A 21 VAL A 74 ILE A 16	None None CA A 698 (-3.2A) None None	0.96A	3tkwA-1qhoA: undetectable	3tkwA-1qhoA: 10.59
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.	1rcq	CATABOLIC ALANINE RACEMASE DADX (Pseudomonas aeruginosa)	PF00842 (Ala_racemase_C) PF01168 (Ala_racemase_N)	5	GLY A 315 ALA A 314 ILE A 265 VAL A 286 ILE A 288	None	0.84A	3tkwA-1rcqA: undetectable	3tkwA-1rcqA: 15.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	6	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49	None	1.39A	3tkwA-1sivA: 18.5	3tkwA-1sivA: 51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 84	None	0.47A	3tkwA-1sivA: 18.5	3tkwA-1sivA: 51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	None	0.39A	3tkwA-1sivA: 18.5	3tkwA-1sivA: 51.96
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.	1tcs	TRICHOSANTHIN (Trichosanthes kirilowii)	PF00161 (RIP)	5	LEU A 215 GLY A 231 ALA A 230 VAL A 213 ILE A 225	None	0.91A	3tkwA-1tcsA: undetectable	3tkwA-1tcsA: 17.84
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.	1u2e	2-HYDROXY-6-KETONONA -2,4-DIENEDIOIC ACID HYDROLASE (Escherichia coli)	PF12697 (Abhydrolase_6)	5	LEU A 281 GLY A 61 ALA A 60 ILE A 54 VAL A 277	None	0.90A	3tkwA-1u2eA: undetectable	3tkwA-1u2eA: 20.00
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.	1v5f	PYRUVATE OXIDASE (Aerococcus viridans)	PF00205 (TPP_enzyme_M) PF02775 (TPP_enzyme_C) PF02776 (TPP_enzyme_N)	5	ASP A 388 ALA A 444 ASP A 442 VAL A 466 ILE A 440	None TPP A1602 (-3.7A) MG A1603 ( 2.8A) None None	0.95A	3tkwA-1v5fA: undetectable	3tkwA-1v5fA: 11.32
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.	1wdt	ELONGATION FACTOR G HOMOLOG (Thermus thermophilus)	PF00009 (GTP_EFTU) PF00679 (EFG_C) PF03764 (EFG_IV) PF14492 (EFG_II)	5	ALA A 237 VAL A 213 GLY A 231 VAL A 208 ILE A 212	None	0.88A	3tkwA-1wdtA: undetectable	3tkwA-1wdtA: 8.24
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.	1wsv	AMINOMETHYLTRANSFERA SE (Homo sapiens)	PF01571 (GCV_T) PF08669 (GCV_T_C)	5	LEU A 152 VAL A 192 GLY A 166 VAL A 207 ILE A 205	LEU A 152 ( 0.6A) VAL A 192 ( 0.6A) GLY A 166 ( 0.0A) VAL A 207 ( 0.6A) ILE A 205 ( 0.4A)	0.83A	3tkwA-1wsvA: undetectable	3tkwA-1wsvA: 14.93
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.	1xtz	RIBOSE-5-PHOSPHATE ISOMERASE (Saccharomyces cerevisiae)	PF06026 (Rib_5-P_isom_A)	5	GLY A 123 ALA A 124 GLY A 235 ILE A 119 ILE A 207	None	0.95A	3tkwA-1xtzA: undetectable	3tkwA-1xtzA: 20.25
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.	1yg0	COP ASSOCIATED PROTEIN (Helicobacter pylori)	PF00403 (HMA)	5	GLY A 62 ALA A 61 ASP A 60 VAL A 23 ILE A 19	None	0.97A	3tkwA-1yg0A: undetectable	3tkwA-1yg0A: 20.00
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.	1zno	HYPOTHETICAL UPF0244 PROTEIN VC0702 (Vibrio cholerae)	PF01931 (NTPase_I-T)	5	ARG A 74 GLY A 77 ALA A 78 VAL A 44 ILE A 14	None	0.80A	3tkwA-1znoA: undetectable	3tkwA-1znoA: 19.66
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.	2bc0	NADH OXIDASE (Streptococcus pyogenes)	PF02852 (Pyr_redox_dim) PF07992 (Pyr_redox_2)	5	GLY A 453 ALA A 454 ASP A 456 ILE A 387 ILE A 426	None	0.56A	3tkwA-2bc0A: undetectable	3tkwA-2bc0A: 13.26
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.	2cvj	THIOREDOXIN REDUCTASE RELATED PROTEIN (Thermus thermophilus)	PF00890 (FAD_binding_2) PF07992 (Pyr_redox_2)	5	LEU A 170 GLY A 24 ALA A 23 ASP A 177 VAL A 164	None	0.96A	3tkwA-2cvjA: undetectable	3tkwA-2cvjA: 17.06
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.	2dph	FORMALDEHYDE DISMUTASE (Pseudomonas putida)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	6	GLY A 174 ALA A 201 VAL A 189 GLY A 296 ILE A 297 ILE A 191	None	1.41A	3tkwA-2dphA: undetectable	3tkwA-2dphA: 14.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 55 VAL A 87 ILE A 89	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) None LP1 A 201 (-3.4A) LP1 A 201 ( 4.9A) LP1 A 201 (-4.2A)	0.42A	3tkwA-2fmbA: 15.1	3tkwA-2fmbA: 32.73
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.	2h00	METHYLTRANSFERASE 10 DOMAIN CONTAINING PROTEIN (Homo sapiens)	PF05971 (Methyltransf_10)	5	GLY A 84 ALA A 85 GLY A 69 VAL A 120 ILE A 118	None None None DTU A2140 (-4.0A) None	0.98A	3tkwA-2h00A: undetectable	3tkwA-2h00A: 20.00
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.	2ri6	2-HYDROXY-6-OXO-6-PH ENYLHEXA-2,4-DIENOAT E HYDROLASE (Paraburkholderia xenovorans)	PF12697 (Abhydrolase_6)	5	LEU A 283 GLY A 63 ALA A 62 VAL A 279 ILE A 280	None	0.88A	3tkwA-2ri6A: undetectable	3tkwA-2ri6A: 17.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 ( 4.2A)	0.40A	3tkwA-2rkfA: 21.0	3tkwA-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	6	LEU A 35 ASP A 37 GLY A 39 ALA A 40 ASP A 41 ILE A 108	None	0.40A	3tkwA-2rspA: 12.7	3tkwA-2rspA: 31.50
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.	2wsk	GLYCOGEN DEBRANCHING ENZYME (Escherichia coli)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	5	LEU A 188 GLY A 255 ALA A 254 ILE A 248 ILE A 185	None	0.84A	3tkwA-2wskA: undetectable	3tkwA-2wskA: 8.70
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.	2z2i	PEPTIDYL-TRNA HYDROLASE (Mycobacterium tuberculosis)	PF01195 (Pept_tRNA_hydro)	5	GLY A 47 ALA A 48 VAL A 8 GLY A 77 VAL A 61	None	1.00A	3tkwA-2z2iA: undetectable	3tkwA-2z2iA: 19.90
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.	3b8b	CYSQ, SULFITE SYNTHESIS PATHWAY PROTEIN (Bacteroides thetaiotaomicron)	PF00459 (Inositol_P)	6	ALA A 6 ASP A 5 VAL A 112 GLY A 11 ILE A 14 ILE A 100	None	1.27A	3tkwA-3b8bA: undetectable	3tkwA-3b8bA: 16.84
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.	3c4n	UNCHARACTERIZED PROTEIN DR_0571 (Deinococcus radiodurans)	PF01266 (DAO)	5	LEU A 370 GLY A 200 VAL A 40 VAL A 230 ILE A 228	None	0.82A	3tkwA-3c4nA: undetectable	3tkwA-3c4nA: 12.29
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.	3gve	YFKN PROTEIN (Bacillus subtilis)	PF00149 (Metallophos)	5	GLY A 121 ALA A 122 ASP A 123 ILE A 89 ILE A 126	None	0.62A	3tkwA-3gveA: undetectable	3tkwA-3gveA: 14.41
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.	3hdy	UDP-GALACTOPYRANOSE MUTASE (Deinococcus radiodurans)	PF03275 (GLF) PF13450 (NAD_binding_8)	5	GLY A 38 ALA A 37 VAL A 237 VAL A 55 ILE A 57	FAD A 450 (-3.3A) None None None None	0.86A	3tkwA-3hdyA: undetectable	3tkwA-3hdyA: 14.32
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.	3hh1	TETRAPYRROLE METHYLASE FAMILY PROTEIN (Chlorobaculum tepidum)	PF00590 (TP_methylase)	5	LEU A 79 GLY A 111 ALA A 110 VAL A 75 ILE A 76	None	0.90A	3tkwA-3hh1A: undetectable	3tkwA-3hh1A: 24.22
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.	3kyh	MRNA-CAPPING ENZYME SUBUNIT BETA (Saccharomyces cerevisiae)	PF02940 (mRNA_triPase)	5	ALA A 337 ASP A 336 ASP A 315 VAL A 322 ILE A 313	None	0.96A	3tkwA-3kyhA: undetectable	3tkwA-3kyhA: 15.92
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.	3lun	ULILYSIN (Methanosarcina acetivorans)	PF05572 (Peptidase_M43)	5	ALA A 209 ASP A 207 VAL A 175 ILE A 93 ILE A 205	None	0.97A	3tkwA-3lunA: undetectable	3tkwA-3lunA: 16.34
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.	3mdo	PUTATIVE PHOSPHORIBOSYLFORMYL GLYCINAMIDINE CYCLO-LIGASE (Parabacteroides distasonis)	PF02769 (AIRS_C)	5	LEU A 251 GLY A 256 ALA A 255 ILE A 319 ILE A 248	None	0.98A	3tkwA-3mdoA: undetectable	3tkwA-3mdoA: 14.73
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.	3mwc	MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN (Kosmotoga olearia)	PF02746 (MR_MLE_N) PF13378 (MR_MLE_C)	5	GLY A 310 ALA A 336 ASP A 337 VAL A 363 ILE A 149	None	0.99A	3tkwA-3mwcA: undetectable	3tkwA-3mwcA: 16.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 VAL A 82 ILE A 84	None	0.50A	3tkwA-3mwsA: 20.1	3tkwA-3mwsA: 79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	11	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 ILE A 50 VAL A 82 ILE A 84	None	0.41A	3tkwA-3mwsA: 20.1	3tkwA-3mwsA: 79.80
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.	3opy	6-PHOSPHOFRUCTO-1-KI NASE ALPHA-SUBUNIT (Komagataella pastoris)	PF00365 (PFK)	5	GLY A 419 ALA A 420 ASP A 421 VAL A 402 ILE A 457	None	0.90A	3tkwA-3opyA: undetectable	3tkwA-3opyA: 8.03
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.	3p4g	ANTIFREEZE PROTEIN (Marinomonas primoryensis)	no annotation	5	ASP A 103 GLY A 99 ALA A 98 VAL A 124 GLY A 137	CA A 403 ( 2.4A) CA A 403 (-4.1A) CA A 404 (-4.5A) None CA A 405 (-4.1A)	0.99A	3tkwA-3p4gA: undetectable	3tkwA-3p4gA: 15.09
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.	3s8m	ENOYL-ACP REDUCTASE (Xanthomonas oryzae)	PF07055 (Eno-Rase_FAD_bd) PF12241 (Enoyl_reductase) PF12242 (Eno-Rase_NADH_b)	5	GLY A 213 ALA A 212 ILE A 206 VAL A 121 ILE A 122	None	0.82A	3tkwA-3s8mA: undetectable	3tkwA-3s8mA: 14.57
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.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	6	LEU A 30 ASP A 32 GLY A 34 ALA A 35 VAL A 39 GLY A 56	None 3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) None 3TL A 126 (-3.4A)	0.49A	3tkwA-3slzA: 11.3	3tkwA-3slzA: 25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-3.8A) SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	1.41A	3tkwA-3t3cA: 18.5	3tkwA-3t3cA: 74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50	SO4 A 101 (-3.8A) SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) None 017 A 201 (-4.0A) 017 A 201 (-3.3A)	0.50A	3tkwA-3t3cA: 18.5	3tkwA-3t3cA: 74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49	017 A 201 ( 4.8A) None 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-3.0A)	1.45A	3tkwA-3ttpA: 19.8	3tkwA-3ttpA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50	017 A 201 ( 4.8A) None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-3.0A) 017 A 201 (-3.3A)	0.45A	3tkwA-3ttpA: 19.8	3tkwA-3ttpA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-4.6A) 017 A 201 (-3.0A) 017 A 201 (-3.3A) 017 A 201 (-4.7A)	0.27A	3tkwA-3ttpA: 19.8	3tkwA-3ttpA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50	None 017 A 202 ( 2.5A) 017 A 201 (-3.4A) 017 A 201 ( 4.0A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A)	1.24A	3tkwA-3u7sA: 20.1	3tkwA-3u7sA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A)	0.28A	3tkwA-3u7sA: 20.1	3tkwA-3u7sA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3uhl	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 82	None	0.28A	3tkwA-3uhlA: 16.1	3tkwA-3uhlA: 80.81
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.	3w1j	L-SERYL-TRNA(SEC) SELENIUM TRANSFERASE (Aquifex aeolicus)	PF03841 (SelA)	5	LEU A 211 GLY A 202 ALA A 203 GLY A 190 ILE A 160	None	0.93A	3tkwA-3w1jA: undetectable	3tkwA-3w1jA: 13.47
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.	4avo	BETA-1,4-EXOCELLULAS E (Thermobifida fusca)	PF01341 (Glyco_hydro_6)	5	ALA A 308 GLY A 313 ILE A 315 VAL A 217 ILE A 219	None	0.96A	3tkwA-4avoA: undetectable	3tkwA-4avoA: 13.94
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.	4gbr	BETA-2 ADRENERGIC RECEPTOR (Homo sapiens)	PF00001 (7tm_1)	5	VAL A 44 GLY A 90 ILE A 94 VAL A 39 ILE A 43	None	0.91A	3tkwA-4gbrA: undetectable	3tkwA-4gbrA: 16.49
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.	4gmk	RIBOSE-5-PHOSPHATE ISOMERASE A (Lactobacillus salivarius)	PF06026 (Rib_5-P_isom_A)	5	GLY A 100 ALA A 101 GLY A 204 ILE A 96 ILE A 176	PO4 A 301 (-3.6A) None None None None	0.99A	3tkwA-4gmkA: undetectable	3tkwA-4gmkA: 18.18
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.	4ida	RIPENING-INDUCED PROTEIN (Fragaria vesca)	PF08240 (ADH_N) PF13602 (ADH_zinc_N_2)	5	LEU A 203 GLY A 208 ALA A 209 ASP A 210 ILE A 179	None	0.83A	3tkwA-4idaA: undetectable	3tkwA-4idaA: 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.	4inj	LMO1638 PROTEIN (Listeria monocytogenes)	PF02016 (Peptidase_S66)	5	LEU A 162 ALA A 309 GLY A 306 ILE A 305 ILE A 321	None	0.93A	3tkwA-4injA: undetectable	3tkwA-4injA: 15.41
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.	4jlw	GLUTATHIONE-INDEPEND ENT FORMALDEHYDE DEHYDROGENASE (Pseudomonas aeruginosa)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	6	GLY A 175 ALA A 202 VAL A 190 GLY A 298 ILE A 299 ILE A 192	None	1.37A	3tkwA-4jlwA: undetectable	3tkwA-4jlwA: 12.66
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.	4lom	IMIDAZOLEGLYCEROL-PH OSPHATE DEHYDRATASE (Mycobacterium tuberculosis)	PF00475 (IGPD)	5	LEU A 165 GLY A 84 ALA A 161 VAL A 116 ILE A 163	None	0.87A	3tkwA-4lomA: undetectable	3tkwA-4lomA: 19.82
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.	4m2j	AMINOTRANSFERASE (Streptomyces lavendulae)	PF00155 (Aminotran_1_2)	5	GLY A 278 ALA A 281 VAL A 311 GLY A 228 ILE A 200	None	0.95A	3tkwA-4m2jA: undetectable	3tkwA-4m2jA: 15.74
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.	4na3	POLYKETIDE SYNTHASE PKSJ (Bacillus subtilis)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C) PF16197 (KAsynt_C_assoc)	5	LEU A 180 GLY A 201 ALA A 200 ILE A 12 ILE A 183	None	0.94A	3tkwA-4na3A: undetectable	3tkwA-4na3A: 11.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 48 ILE A 84	RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 (-4.8A) RIT A 500 (-4.3A)	0.79A	3tkwA-4njvA: 21.3	3tkwA-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None RIT A 500 (-2.4A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-3.4A) RIT A 500 (-4.3A)	1.29A	3tkwA-4njvA: 21.3	3tkwA-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 (-4.3A)	0.42A	3tkwA-4njvA: 21.3	3tkwA-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 ILE A 50 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) None RIT A 500 (-3.4A) RIT A 500 (-4.3A) RIT A 500 (-4.3A)	0.35A	3tkwA-4njvA: 21.3	3tkwA-4njvA: 84.85
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.	4pyr	PUTATIVE BRANCHED-CHAIN AMINO ACID ABC TRANSPORTER (Chromobacterium violaceum)	PF04348 (LppC)	5	LEU A 166 VAL A 88 GLY A 107 ILE A 337 ILE A 146	None	0.82A	3tkwA-4pyrA: undetectable	3tkwA-4pyrA: 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.	4r1u	CINNAMOYL COA REDUCTASE (Medicago truncatula)	PF01370 (Epimerase)	5	GLY A 97 ASP A 59 GLY A 8 VAL A 70 ILE A 66	None	0.91A	3tkwA-4r1uA: undetectable	3tkwA-4r1uA: 13.52
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.	4rwe	SUGAR-BINDING TRANSPORT PROTEIN (Yersinia pestis)	PF13407 (Peripla_BP_4)	5	GLY A 196 ALA A 190 ILE A 223 VAL A 214 ILE A 156	None None GOL A 401 ( 4.2A) None None	0.88A	3tkwA-4rweA: undetectable	3tkwA-4rweA: 18.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ydf	HTLV-1 PROTEASE (Primate T-lymphotropic virus 1)	PF00077 (RVP)	7	LEU A 30 ASP A 32 GLY A 34 ALA A 35 ASP A 36 GLY A 58 ILE A 100	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) 4B1 A 201 (-3.4A) 4B1 A 201 (-4.8A)	0.43A	3tkwA-4ydfA: 12.8	3tkwA-4ydfA: 32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ydf	HTLV-1 PROTEASE (Primate T-lymphotropic virus 1)	PF00077 (RVP)	7	LEU A 30 ASP A 32 GLY A 34 ALA A 35 ASP A 36 VAL A 39 ILE A 100	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) None 4B1 A 201 (-4.8A)	0.47A	3tkwA-4ydfA: 12.8	3tkwA-4ydfA: 32.17
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.	4z26	PUTATIVE GMC-TYPE OXIDOREDUCTASE R135 (Acanthamoeba polyphaga mimivirus)	PF00732 (GMC_oxred_N) PF05199 (GMC_oxred_C)	5	LEU A 36 VAL A 296 ILE A 267 VAL A 10 ILE A 12	None	0.89A	3tkwA-4z26A: undetectable	3tkwA-4z26A: 9.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	None	0.31A	3tkwA-5b18A: 18.2	3tkwA-5b18A: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 84	None	0.75A	3tkwA-5b18A: 18.2	3tkwA-5b18A: 73.74
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.	5cw2	PUTATIVE EPOXIDE HYDROLASE EPHA (Mycolicibacterium thermoresistibile)	no annotation	5	LEU C 315 GLY C 53 ALA C 52 ILE C 46 ILE C 312	None	0.88A	3tkwA-5cw2C: undetectable	3tkwA-5cw2C: 15.67
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.	5cw5	BRCA1/BRCA2-CONTAINI NG COMPLEX SUBUNIT 3 (Camponotus floridanus)	PF01398 (JAB)	5	LEU A 79 VAL A 89 GLY A 33 ILE A 51 ILE A 36	None	0.99A	3tkwA-5cw5A: undetectable	3tkwA-5cw5A: 15.62
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.	5dlq	EXPORTIN-4 (Mus musculus)	no annotation	5	LEU B 608 ALA B 667 ILE B 660 VAL B 604 ILE B 605	None	0.93A	3tkwA-5dlqB: undetectable	3tkwA-5dlqB: 7.36
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.	5erb	POLYKETIDE SYNTHASE (Bacillus amyloliquefaciens)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C) PF16197 (KAsynt_C_assoc)	5	LEU A 187 GLY A 208 ALA A 207 ILE A 14 ILE A 190	None	0.99A	3tkwA-5erbA: undetectable	3tkwA-5erbA: 11.45
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.	5fmg	PROTEASOME, PUTATIVE (Plasmodium falciparum)	PF00227 (Proteasome)	5	ASP H 157 VAL H 12 ILE H 37 VAL H 231 ILE H 233	None	0.97A	3tkwA-5fmgH: undetectable	3tkwA-5fmgH: 17.47
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.	5h1k	GEM-ASSOCIATED PROTEIN 5 (Homo sapiens)	PF00400 (WD40) PF12894 (ANAPC4_WD40)	5	LEU A 157 GLY A 132 VAL A 177 VAL A 167 ILE A 169	None	0.78A	3tkwA-5h1kA: undetectable	3tkwA-5h1kA: 8.84
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.	5hs0	ANKYRIN DOMAIN PROTEIN ANK1C4_7 (synthetic construct)	PF12796 (Ank_2)	5	LEU A 121 GLY A 126 ALA A 127 ASP A 128 VAL A 86	None	0.99A	3tkwA-5hs0A: undetectable	3tkwA-5hs0A: 22.46
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.	5kf7	BIFUNCTIONAL PROTEIN PUTA (Sinorhizobium meliloti)	PF00171 (Aldedh) PF01619 (Pro_dh) PF14850 (Pro_dh-DNA_bdg)	5	ARG A 788 GLY A1163 ALA A1164 VAL A1176 ILE A1180	None	0.98A	3tkwA-5kf7A: undetectable	3tkwA-5kf7A: 6.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 ILE A 84	None	0.25A	3tkwA-5t2zA: 20.3	3tkwA-5t2zA: 80.81
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.	5ve3	BPPRF (Paraburkholderia phytofirmans)	no annotation	5	GLY B 88 ALA B 89 ASP B 90 VAL B 59 ILE B 80	None	0.85A	3tkwA-5ve3B: undetectable	3tkwA-5ve3B: 14.36
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.	5vm2	ALCOHOL DEHYDROGENASE (Escherichia coli)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 237 ALA A 238 ASP A 239 VAL A 199 ILE A 173	None	0.86A	3tkwA-5vm2A: undetectable	3tkwA-5vm2A: 16.91
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.	5wmm	NRPS (Micromonospora sp. ML1)	no annotation	5	LEU A 726 ASP A 631 VAL A 607 VAL A 641 ILE A 639	None	0.99A	3tkwA-5wmmA: undetectable	3tkwA-5wmmA: 20.19
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.	5xj1	UNCHARACTERIZED RNA METHYLTRANSFERASE SP_1029 (Streptococcus pneumoniae)	no annotation	5	GLY A 399 ALA A 400 ASP A 401 ILE A 373 ILE A 378	None	0.87A	3tkwA-5xj1A: undetectable	3tkwA-5xj1A: 13.76
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.	6b92	U6 SMALL NUCLEAR RNA (ADENINE-(43)-N(6))- METHYLTRANSFERASE (Homo sapiens)	no annotation	5	GLY A 121 ALA A 122 GLY A 106 VAL A 157 ILE A 155	None	0.98A	3tkwA-6b92A: undetectable	3tkwA-6b92A: 15.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	LEU A 28 ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) 3TL A 201 (-3.4A)	0.20A	3tkwA-6fivA: 15.6	3tkwA-6fivA: 30.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	LEU A 28 ASP A 30 GLY A 32 ALA A 33 ASP A 34 VAL A 99	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) None	0.45A	3tkwA-6fivA: 15.6	3tkwA-6fivA: 30.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	9	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 84	None None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) None	0.64A	3tkwA-6upjA: 18.2	3tkwA-6upjA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.72A	3tkwA-6upjA: 18.2	3tkwA-6upjA: 49.49

[["3TKW_B_017B401_1","1b4e","Escherichia coli","PROTEIN (5-AMINOLEVULINIC ACID DEHYDRATASE)","PF00490(ALAD)",5,"GLY A 305;ALA A 306;ASP A 307;ILE A 255;ILE A 301","None","0.84A","3tkwA-1b4eA:undetectable","3tkwA-1b4eA:13.73"],["3TKW_B_017B401_1","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"LEU E  30;ASP E  32;GLY E  34;ASP E  37;ILE E 120","None","0.65A","3tkwA-1cziE:6.7","3tkwA-1cziE:16.06"],["3TKW_B_017B401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;VAL A  32;GLY A  48;ILE A  84","A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.4A);A79 A 800 (-3.6A);A79 A 800 (-3.6A)","0.84A","3tkwA-1hvcA:14.0","3tkwA-1hvcA:47.78"],["3TKW_B_017B401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A)","1.25A","3tkwA-1hvcA:14.0","3tkwA-1hvcA:47.78"],["3TKW_B_017B401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A)","1.26A","3tkwA-1hvcA:14.0","3tkwA-1hvcA:47.78"],["3TKW_B_017B401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 ( 4.4A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 (-3.6A)","0.39A","3tkwA-1hvcA:14.0","3tkwA-1hvcA:47.78"],["3TKW_B_017B401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 ( 4.3A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A);A79 A 800 (-3.8A)","0.41A","3tkwA-1hvcA:14.0","3tkwA-1hvcA:47.78"],["3TKW_B_017B401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;VAL A  82;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 ( 4.4A);A79 A 800 ( 3.7A);A79 A 800 (-4.5A);A79 A 800 (-3.6A)","0.37A","3tkwA-1hvcA:14.0","3tkwA-1hvcA:47.78"],["3TKW_B_017B401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;VAL A  82;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 ( 4.3A);A79 A 800 (-3.4A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.31A","3tkwA-1hvcA:14.0","3tkwA-1hvcA:47.78"],["3TKW_B_017B401_1","1j9l","Thermotoga maritima","STATIONARY PHASE SURVIVAL PROTEIN","PF01975(SurE)",5,"LEU A   4;GLY A 112;ALA A 113;VAL A  87;ILE A  90","None","0.93A","3tkwA-1j9lA:undetectable","3tkwA-1j9lA:15.35"],["3TKW_B_017B401_1","1kae","Escherichia coli","HISTIDINOL DEHYDROGENASE","PF00815(Histidinol_dh)",5,"GLY A 227;ALA A 228;ASP A 204;GLY A 196;ILE A 206","None","0.84A","3tkwA-1kaeA:undetectable","3tkwA-1kaeA:12.33"],["3TKW_B_017B401_1","1lk5","Pyrococcus horikoshii","D-RIBOSE-5-PHOSPHATE ISOMERASE","PF06026(Rib_5-P_isom_A)",5,"GLY A 101;ALA A 102;GLY A 207;ILE A  97;ILE A 179"," CL A1001 (-3.4A);None;None;None;None","0.90A","3tkwA-1lk5A:undetectable","3tkwA-1lk5A:23.50"],["3TKW_B_017B401_1","1naa","Phanerochaete chrysosporium","CELLOBIOSE DEHYDROGENASE","PF00732(GMC_oxred_N);PF05199(GMC_oxred_C)",5,"GLY A 223;ALA A 224;VAL A 407;GLY A 305;ILE A 229","6FA A 801 (-3.0A);6FA A 801 ( 4.9A);None;6FA A 801 (-3.5A);None","0.96A","3tkwA-1naaA:undetectable","3tkwA-1naaA:11.53"],["3TKW_B_017B401_1","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  84","None","0.50A","3tkwA-1q9pA:10.2","3tkwA-1q9pA:100.00"],["3TKW_B_017B401_1","1qho","Geobacillus stearothermophilus","ALPHA-AMYLASE","PF00128(Alpha-amylase);PF00686(CBM_20);PF01833(TIG);PF02806(Alpha-amylase_C)",5,"LEU A  71;GLY A  53;ASP A  21;VAL A  74;ILE A  16","None;None; CA A 698 (-3.2A);None;None","0.96A","3tkwA-1qhoA:undetectable","3tkwA-1qhoA:10.59"],["3TKW_B_017B401_1","1rcq","Pseudomonas aeruginosa","CATABOLIC ALANINE RACEMASE DADX","PF00842(Ala_racemase_C);PF01168(Ala_racemase_N)",5,"GLY A 315;ALA A 314;ILE A 265;VAL A 286;ILE A 288","None","0.84A","3tkwA-1rcqA:undetectable","3tkwA-1rcqA:15.27"],["3TKW_B_017B401_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",6,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49","None","1.39A","3tkwA-1sivA:18.5","3tkwA-1sivA:51.96"],["3TKW_B_017B401_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  84","None","0.47A","3tkwA-1sivA:18.5","3tkwA-1sivA:51.96"],["3TKW_B_017B401_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","None","0.39A","3tkwA-1sivA:18.5","3tkwA-1sivA:51.96"],["3TKW_B_017B401_1","1tcs","Trichosanthes kirilowii","TRICHOSANTHIN","PF00161(RIP)",5,"LEU A 215;GLY A 231;ALA A 230;VAL A 213;ILE A 225","None","0.91A","3tkwA-1tcsA:undetectable","3tkwA-1tcsA:17.84"],["3TKW_B_017B401_1","1u2e","Escherichia coli","2-HYDROXY-6-KETONONA-2,4-DIENEDIOIC ACID HYDROLASE","PF12697(Abhydrolase_6)",5,"LEU A 281;GLY A  61;ALA A  60;ILE A  54;VAL A 277","None","0.90A","3tkwA-1u2eA:undetectable","3tkwA-1u2eA:20.00"],["3TKW_B_017B401_1","1v5f","Aerococcus viridans","PYRUVATE OXIDASE","PF00205(TPP_enzyme_M);PF02775(TPP_enzyme_C);PF02776(TPP_enzyme_N)",5,"ASP A 388;ALA A 444;ASP A 442;VAL A 466;ILE A 440","None;TPP A1602 (-3.7A); MG A1603 ( 2.8A);None;None","0.95A","3tkwA-1v5fA:undetectable","3tkwA-1v5fA:11.32"],["3TKW_B_017B401_1","1wdt","Thermus thermophilus","ELONGATION FACTOR G HOMOLOG","PF00009(GTP_EFTU);PF00679(EFG_C);PF03764(EFG_IV);PF14492(EFG_II)",5,"ALA A 237;VAL A 213;GLY A 231;VAL A 208;ILE A 212","None","0.88A","3tkwA-1wdtA:undetectable","3tkwA-1wdtA:8.24"],["3TKW_B_017B401_1","1wsv","Homo sapiens","AMINOMETHYLTRANSFERASE","PF01571(GCV_T);PF08669(GCV_T_C)",5,"LEU A 152;VAL A 192;GLY A 166;VAL A 207;ILE A 205","LEU A 152 ( 0.6A);VAL A 192 ( 0.6A);GLY A 166 ( 0.0A);VAL A 207 ( 0.6A);ILE A 205 ( 0.4A)","0.83A","3tkwA-1wsvA:undetectable","3tkwA-1wsvA:14.93"],["3TKW_B_017B401_1","1xtz","Saccharomyces cerevisiae","RIBOSE-5-PHOSPHATE ISOMERASE","PF06026(Rib_5-P_isom_A)",5,"GLY A 123;ALA A 124;GLY A 235;ILE A 119;ILE A 207","None","0.95A","3tkwA-1xtzA:undetectable","3tkwA-1xtzA:20.25"],["3TKW_B_017B401_1","1yg0","Helicobacter pylori","COP ASSOCIATED PROTEIN","PF00403(HMA)",5,"GLY A  62;ALA A  61;ASP A  60;VAL A  23;ILE A  19","None","0.97A","3tkwA-1yg0A:undetectable","3tkwA-1yg0A:20.00"],["3TKW_B_017B401_1","1zno","Vibrio cholerae","HYPOTHETICAL UPF0244 PROTEIN VC0702","PF01931(NTPase_I-T)",5,"ARG A  74;GLY A  77;ALA A  78;VAL A  44;ILE A  14","None","0.80A","3tkwA-1znoA:undetectable","3tkwA-1znoA:19.66"],["3TKW_B_017B401_1","2bc0","Streptococcus pyogenes","NADH OXIDASE","PF02852(Pyr_redox_dim);PF07992(Pyr_redox_2)",5,"GLY A 453;ALA A 454;ASP A 456;ILE A 387;ILE A 426","None","0.56A","3tkwA-2bc0A:undetectable","3tkwA-2bc0A:13.26"],["3TKW_B_017B401_1","2cvj","Thermus thermophilus","THIOREDOXIN REDUCTASE RELATED PROTEIN","PF00890(FAD_binding_2);PF07992(Pyr_redox_2)",5,"LEU A 170;GLY A  24;ALA A  23;ASP A 177;VAL A 164","None","0.96A","3tkwA-2cvjA:undetectable","3tkwA-2cvjA:17.06"],["3TKW_B_017B401_1","2dph","Pseudomonas putida","FORMALDEHYDE DISMUTASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",6,"GLY A 174;ALA A 201;VAL A 189;GLY A 296;ILE A 297;ILE A 191","None","1.41A","3tkwA-2dphA:undetectable","3tkwA-2dphA:14.07"],["3TKW_B_017B401_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  55;VAL A  87;ILE A  89","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);None;LP1 A 201 (-3.4A);LP1 A 201 ( 4.9A);LP1 A 201 (-4.2A)","0.42A","3tkwA-2fmbA:15.1","3tkwA-2fmbA:32.73"],["3TKW_B_017B401_1","2h00","Homo sapiens","METHYLTRANSFERASE 10 DOMAIN CONTAINING PROTEIN","PF05971(Methyltransf_10)",5,"GLY A  84;ALA A  85;GLY A  69;VAL A 120;ILE A 118","None;None;None;DTU A2140 (-4.0A);None","0.98A","3tkwA-2h00A:undetectable","3tkwA-2h00A:20.00"],["3TKW_B_017B401_1","2ri6","Paraburkholderia xenovorans","2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE","PF12697(Abhydrolase_6)",5,"LEU A 283;GLY A  63;ALA A  62;VAL A 279;ILE A 280","None","0.88A","3tkwA-2ri6A:undetectable","3tkwA-2ri6A:17.75"],["3TKW_B_017B401_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 ( 4.2A)","0.40A","3tkwA-2rkfA:21.0","3tkwA-2rkfA:82.83"],["3TKW_B_017B401_1","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",6,"LEU A  35;ASP A  37;GLY A  39;ALA A  40;ASP A  41;ILE A 108","None","0.40A","3tkwA-2rspA:12.7","3tkwA-2rspA:31.50"],["3TKW_B_017B401_1","2wsk","Escherichia coli","GLYCOGEN DEBRANCHING ENZYME","PF00128(Alpha-amylase);PF02922(CBM_48)",5,"LEU A 188;GLY A 255;ALA A 254;ILE A 248;ILE A 185","None","0.84A","3tkwA-2wskA:undetectable","3tkwA-2wskA:8.70"],["3TKW_B_017B401_1","2z2i","Mycobacterium tuberculosis","PEPTIDYL-TRNA HYDROLASE","PF01195(Pept_tRNA_hydro)",5,"GLY A  47;ALA A  48;VAL A   8;GLY A  77;VAL A  61","None","1.00A","3tkwA-2z2iA:undetectable","3tkwA-2z2iA:19.90"],["3TKW_B_017B401_1","3b8b","Bacteroides thetaiotaomicron","CYSQ, SULFITE SYNTHESIS PATHWAY PROTEIN","PF00459(Inositol_P)",6,"ALA A   6;ASP A   5;VAL A 112;GLY A  11;ILE A  14;ILE A 100","None","1.27A","3tkwA-3b8bA:undetectable","3tkwA-3b8bA:16.84"],["3TKW_B_017B401_1","3c4n","Deinococcus radiodurans","UNCHARACTERIZED PROTEIN DR_0571","PF01266(DAO)",5,"LEU A 370;GLY A 200;VAL A  40;VAL A 230;ILE A 228","None","0.82A","3tkwA-3c4nA:undetectable","3tkwA-3c4nA:12.29"],["3TKW_B_017B401_1","3gve","Bacillus subtilis","YFKN PROTEIN","PF00149(Metallophos)",5,"GLY A 121;ALA A 122;ASP A 123;ILE A  89;ILE A 126","None","0.62A","3tkwA-3gveA:undetectable","3tkwA-3gveA:14.41"],["3TKW_B_017B401_1","3hdy","Deinococcus radiodurans","UDP-GALACTOPYRANOSE MUTASE","PF03275(GLF);PF13450(NAD_binding_8)",5,"GLY A  38;ALA A  37;VAL A 237;VAL A  55;ILE A  57","FAD A 450 (-3.3A);None;None;None;None","0.86A","3tkwA-3hdyA:undetectable","3tkwA-3hdyA:14.32"],["3TKW_B_017B401_1","3hh1","Chlorobaculum tepidum","TETRAPYRROLE METHYLASE FAMILY PROTEIN","PF00590(TP_methylase)",5,"LEU A  79;GLY A 111;ALA A 110;VAL A  75;ILE A  76","None","0.90A","3tkwA-3hh1A:undetectable","3tkwA-3hh1A:24.22"],["3TKW_B_017B401_1","3kyh","Saccharomyces cerevisiae","MRNA-CAPPING ENZYME SUBUNIT BETA","PF02940(mRNA_triPase)",5,"ALA A 337;ASP A 336;ASP A 315;VAL A 322;ILE A 313","None","0.96A","3tkwA-3kyhA:undetectable","3tkwA-3kyhA:15.92"],["3TKW_B_017B401_1","3lun","Methanosarcina acetivorans","ULILYSIN","PF05572(Peptidase_M43)",5,"ALA A 209;ASP A 207;VAL A 175;ILE A  93;ILE A 205","None","0.97A","3tkwA-3lunA:undetectable","3tkwA-3lunA:16.34"],["3TKW_B_017B401_1","3mdo","Parabacteroides distasonis","PUTATIVE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE","PF02769(AIRS_C)",5,"LEU A 251;GLY A 256;ALA A 255;ILE A 319;ILE A 248","None","0.98A","3tkwA-3mdoA:undetectable","3tkwA-3mdoA:14.73"],["3TKW_B_017B401_1","3mwc","Kosmotoga olearia","MANDELATE RACEMASE\/MUCONATE LACTONIZING PROTEIN","PF02746(MR_MLE_N);PF13378(MR_MLE_C)",5,"GLY A 310;ALA A 336;ASP A 337;VAL A 363;ILE A 149","None","0.99A","3tkwA-3mwcA:undetectable","3tkwA-3mwcA:16.33"],["3TKW_B_017B401_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;VAL A  82;ILE A  84","None","0.50A","3tkwA-3mwsA:20.1","3tkwA-3mwsA:79.80"],["3TKW_B_017B401_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;ILE A  50;VAL A  82;ILE A  84","None","0.41A","3tkwA-3mwsA:20.1","3tkwA-3mwsA:79.80"],["3TKW_B_017B401_1","3opy","Komagataella pastoris","6-PHOSPHOFRUCTO-1-KINASE ALPHA-SUBUNIT","PF00365(PFK)",5,"GLY A 419;ALA A 420;ASP A 421;VAL A 402;ILE A 457","None","0.90A","3tkwA-3opyA:undetectable","3tkwA-3opyA:8.03"],["3TKW_B_017B401_1","3p4g","Marinomonas primoryensis","ANTIFREEZE PROTEIN","no annotation",5,"ASP A 103;GLY A  99;ALA A  98;VAL A 124;GLY A 137"," CA A 403 ( 2.4A); CA A 403 (-4.1A); CA A 404 (-4.5A);None; CA A 405 (-4.1A)","0.99A","3tkwA-3p4gA:undetectable","3tkwA-3p4gA:15.09"],["3TKW_B_017B401_1","3s8m","Xanthomonas oryzae","ENOYL-ACP REDUCTASE","PF07055(Eno-Rase_FAD_bd);PF12241(Enoyl_reductase);PF12242(Eno-Rase_NADH_b)",5,"GLY A 213;ALA A 212;ILE A 206;VAL A 121;ILE A 122","None","0.82A","3tkwA-3s8mA:undetectable","3tkwA-3s8mA:14.57"],["3TKW_B_017B401_1","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",6,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;VAL A  39;GLY A  56","None;3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);None;3TL A 126 (-3.4A)","0.49A","3tkwA-3slzA:11.3","3tkwA-3slzA:25.95"],["3TKW_B_017B401_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-3.8A);SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);017 A 201 (-3.3A)","1.41A","3tkwA-3t3cA:18.5","3tkwA-3t3cA:74.75"],["3TKW_B_017B401_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50","SO4 A 101 (-3.8A);SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);None;017 A 201 (-4.0A);017 A 201 (-3.3A)","0.50A","3tkwA-3t3cA:18.5","3tkwA-3t3cA:74.75"],["3TKW_B_017B401_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49","017 A 201 ( 4.8A);None;017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-3.0A)","1.45A","3tkwA-3ttpA:19.8","3tkwA-3ttpA:76.77"],["3TKW_B_017B401_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50","017 A 201 ( 4.8A);None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-3.0A);017 A 201 (-3.3A)","0.45A","3tkwA-3ttpA:19.8","3tkwA-3ttpA:76.77"],["3TKW_B_017B401_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-4.6A);017 A 201 (-3.0A);017 A 201 (-3.3A);017 A 201 (-4.7A)","0.27A","3tkwA-3ttpA:19.8","3tkwA-3ttpA:76.77"],["3TKW_B_017B401_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","None;017 A 202 ( 2.5A);017 A 201 (-3.4A);017 A 201 ( 4.0A);017 A 202 (-2.9A);017 A 201 ( 3.5A)","1.24A","3tkwA-3u7sA:20.1","3tkwA-3u7sA:76.77"],["3TKW_B_017B401_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);017 A 202 (-2.9A);017 A 201 ( 3.5A)","0.28A","3tkwA-3u7sA:20.1","3tkwA-3u7sA:76.77"],["3TKW_B_017B401_1","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  82","None","0.28A","3tkwA-3uhlA:16.1","3tkwA-3uhlA:80.81"],["3TKW_B_017B401_1","3w1j","Aquifex aeolicus","L-SERYL-TRNA(SEC) SELENIUM TRANSFERASE","PF03841(SelA)",5,"LEU A 211;GLY A 202;ALA A 203;GLY A 190;ILE A 160","None","0.93A","3tkwA-3w1jA:undetectable","3tkwA-3w1jA:13.47"],["3TKW_B_017B401_1","4avo","Thermobifida fusca","BETA-1,4-EXOCELLULASE","PF01341(Glyco_hydro_6)",5,"ALA A 308;GLY A 313;ILE A 315;VAL A 217;ILE A 219","None","0.96A","3tkwA-4avoA:undetectable","3tkwA-4avoA:13.94"],["3TKW_B_017B401_1","4gbr","Homo sapiens","BETA-2 ADRENERGIC RECEPTOR","PF00001(7tm_1)",5,"VAL A  44;GLY A  90;ILE A  94;VAL A  39;ILE A  43","None","0.91A","3tkwA-4gbrA:undetectable","3tkwA-4gbrA:16.49"],["3TKW_B_017B401_1","4gmk","Lactobacillus salivarius","RIBOSE-5-PHOSPHATE ISOMERASE A","PF06026(Rib_5-P_isom_A)",5,"GLY A 100;ALA A 101;GLY A 204;ILE A  96;ILE A 176","PO4 A 301 (-3.6A);None;None;None;None","0.99A","3tkwA-4gmkA:undetectable","3tkwA-4gmkA:18.18"],["3TKW_B_017B401_1","4ida","Fragaria vesca","RIPENING-INDUCED PROTEIN","PF08240(ADH_N);PF13602(ADH_zinc_N_2)",5,"LEU A 203;GLY A 208;ALA A 209;ASP A 210;ILE A 179","None","0.83A","3tkwA-4idaA:undetectable","3tkwA-4idaA:17.54"],["3TKW_B_017B401_1","4inj","Listeria monocytogenes","LMO1638 PROTEIN","PF02016(Peptidase_S66)",5,"LEU A 162;ALA A 309;GLY A 306;ILE A 305;ILE A 321","None","0.93A","3tkwA-4injA:undetectable","3tkwA-4injA:15.41"],["3TKW_B_017B401_1","4jlw","Pseudomonas aeruginosa","GLUTATHIONE-INDEPENDENT FORMALDEHYDE DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",6,"GLY A 175;ALA A 202;VAL A 190;GLY A 298;ILE A 299;ILE A 192","None","1.37A","3tkwA-4jlwA:undetectable","3tkwA-4jlwA:12.66"],["3TKW_B_017B401_1","4lom","Mycobacterium tuberculosis","IMIDAZOLEGLYCEROL-PHOSPHATE DEHYDRATASE","PF00475(IGPD)",5,"LEU A 165;GLY A  84;ALA A 161;VAL A 116;ILE A 163","None","0.87A","3tkwA-4lomA:undetectable","3tkwA-4lomA:19.82"],["3TKW_B_017B401_1","4m2j","Streptomyces lavendulae","AMINOTRANSFERASE","PF00155(Aminotran_1_2)",5,"GLY A 278;ALA A 281;VAL A 311;GLY A 228;ILE A 200","None","0.95A","3tkwA-4m2jA:undetectable","3tkwA-4m2jA:15.74"],["3TKW_B_017B401_1","4na3","Bacillus subtilis","POLYKETIDE SYNTHASE PKSJ","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C);PF16197(KAsynt_C_assoc)",5,"LEU A 180;GLY A 201;ALA A 200;ILE A  12;ILE A 183","None","0.94A","3tkwA-4na3A:undetectable","3tkwA-4na3A:11.78"],["3TKW_B_017B401_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48;ILE A  84","RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 (-4.8A);RIT A 500 (-4.3A)","0.79A","3tkwA-4njvA:21.3","3tkwA-4njvA:84.85"],["3TKW_B_017B401_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None;RIT A 500 (-2.4A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-3.4A);RIT A 500 (-4.3A)","1.29A","3tkwA-4njvA:21.3","3tkwA-4njvA:84.85"],["3TKW_B_017B401_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 (-4.3A)","0.42A","3tkwA-4njvA:21.3","3tkwA-4njvA:84.85"],["3TKW_B_017B401_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;ILE A  50;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);None;RIT A 500 (-3.4A);RIT A 500 (-4.3A);RIT A 500 (-4.3A)","0.35A","3tkwA-4njvA:21.3","3tkwA-4njvA:84.85"],["3TKW_B_017B401_1","4pyr","Chromobacterium violaceum","PUTATIVE BRANCHED-CHAIN AMINO ACID ABC TRANSPORTER","PF04348(LppC)",5,"LEU A 166;VAL A  88;GLY A 107;ILE A 337;ILE A 146","None","0.82A","3tkwA-4pyrA:undetectable","3tkwA-4pyrA:13.77"],["3TKW_B_017B401_1","4r1u","Medicago truncatula","CINNAMOYL COA REDUCTASE","PF01370(Epimerase)",5,"GLY A  97;ASP A  59;GLY A   8;VAL A  70;ILE A  66","None","0.91A","3tkwA-4r1uA:undetectable","3tkwA-4r1uA:13.52"],["3TKW_B_017B401_1","4rwe","Yersinia pestis","SUGAR-BINDING TRANSPORT PROTEIN","PF13407(Peripla_BP_4)",5,"GLY A 196;ALA A 190;ILE A 223;VAL A 214;ILE A 156","None;None;GOL A 401 ( 4.2A);None;None","0.88A","3tkwA-4rweA:undetectable","3tkwA-4rweA:18.49"],["3TKW_B_017B401_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",7,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;ASP A  36;GLY A  58;ILE A 100","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);4B1 A 201 (-3.4A);4B1 A 201 (-4.8A)","0.43A","3tkwA-4ydfA:12.8","3tkwA-4ydfA:32.17"],["3TKW_B_017B401_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",7,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;ASP A  36;VAL A  39;ILE A 100","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);None;4B1 A 201 (-4.8A)","0.47A","3tkwA-4ydfA:12.8","3tkwA-4ydfA:32.17"],["3TKW_B_017B401_1","4z26","Acanthamoeba polyphaga mimivirus","PUTATIVE GMC-TYPE OXIDOREDUCTASE R135","PF00732(GMC_oxred_N);PF05199(GMC_oxred_C)",5,"LEU A  36;VAL A 296;ILE A 267;VAL A  10;ILE A  12","None","0.89A","3tkwA-4z26A:undetectable","3tkwA-4z26A:9.79"],["3TKW_B_017B401_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  84","None","0.31A","3tkwA-5b18A:18.2","3tkwA-5b18A:73.74"],["3TKW_B_017B401_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  84","None","0.75A","3tkwA-5b18A:18.2","3tkwA-5b18A:73.74"],["3TKW_B_017B401_1","5cw2","Mycolicibacterium thermoresistibile","PUTATIVE EPOXIDE HYDROLASE EPHA","no annotation",5,"LEU C 315;GLY C  53;ALA C  52;ILE C  46;ILE C 312","None","0.88A","3tkwA-5cw2C:undetectable","3tkwA-5cw2C:15.67"],["3TKW_B_017B401_1","5cw5","Camponotus floridanus","BRCA1\/BRCA2-CONTAINING COMPLEX SUBUNIT 3","PF01398(JAB)",5,"LEU A  79;VAL A  89;GLY A  33;ILE A  51;ILE A  36","None","0.99A","3tkwA-5cw5A:undetectable","3tkwA-5cw5A:15.62"],["3TKW_B_017B401_1","5dlq","Mus musculus","EXPORTIN-4","no annotation",5,"LEU B 608;ALA B 667;ILE B 660;VAL B 604;ILE B 605","None","0.93A","3tkwA-5dlqB:undetectable","3tkwA-5dlqB:7.36"],["3TKW_B_017B401_1","5erb","Bacillus amyloliquefaciens","POLYKETIDE SYNTHASE","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C);PF16197(KAsynt_C_assoc)",5,"LEU A 187;GLY A 208;ALA A 207;ILE A  14;ILE A 190","None","0.99A","3tkwA-5erbA:undetectable","3tkwA-5erbA:11.45"],["3TKW_B_017B401_1","5fmg","Plasmodium falciparum","PROTEASOME, PUTATIVE","PF00227(Proteasome)",5,"ASP H 157;VAL H  12;ILE H  37;VAL H 231;ILE H 233","None","0.97A","3tkwA-5fmgH:undetectable","3tkwA-5fmgH:17.47"],["3TKW_B_017B401_1","5h1k","Homo sapiens","GEM-ASSOCIATED PROTEIN 5","PF00400(WD40);PF12894(ANAPC4_WD40)",5,"LEU A 157;GLY A 132;VAL A 177;VAL A 167;ILE A 169","None","0.78A","3tkwA-5h1kA:undetectable","3tkwA-5h1kA:8.84"],["3TKW_B_017B401_1","5hs0","synthetic construct","ANKYRIN DOMAIN PROTEIN ANK1C4_7","PF12796(Ank_2)",5,"LEU A 121;GLY A 126;ALA A 127;ASP A 128;VAL A  86","None","0.99A","3tkwA-5hs0A:undetectable","3tkwA-5hs0A:22.46"],["3TKW_B_017B401_1","5kf7","Sinorhizobium meliloti","BIFUNCTIONAL PROTEIN PUTA","PF00171(Aldedh);PF01619(Pro_dh);PF14850(Pro_dh-DNA_bdg)",5,"ARG A 788;GLY A1163;ALA A1164;VAL A1176;ILE A1180","None","0.98A","3tkwA-5kf7A:undetectable","3tkwA-5kf7A:6.53"],["3TKW_B_017B401_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;ILE A  84","None","0.25A","3tkwA-5t2zA:20.3","3tkwA-5t2zA:80.81"],["3TKW_B_017B401_1","5ve3","Paraburkholderia phytofirmans","BPPRF","no annotation",5,"GLY B  88;ALA B  89;ASP B  90;VAL B  59;ILE B  80","None","0.85A","3tkwA-5ve3B:undetectable","3tkwA-5ve3B:14.36"],["3TKW_B_017B401_1","5vm2","Escherichia coli","ALCOHOL DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 237;ALA A 238;ASP A 239;VAL A 199;ILE A 173","None","0.86A","3tkwA-5vm2A:undetectable","3tkwA-5vm2A:16.91"],["3TKW_B_017B401_1","5wmm","Micromonospora sp. ML1","NRPS","no annotation",5,"LEU A 726;ASP A 631;VAL A 607;VAL A 641;ILE A 639","None","0.99A","3tkwA-5wmmA:undetectable","3tkwA-5wmmA:20.19"],["3TKW_B_017B401_1","5xj1","Streptococcus pneumoniae","UNCHARACTERIZED RNA METHYLTRANSFERASE SP_1029","no annotation",5,"GLY A 399;ALA A 400;ASP A 401;ILE A 373;ILE A 378","None","0.87A","3tkwA-5xj1A:undetectable","3tkwA-5xj1A:13.76"],["3TKW_B_017B401_1","6b92","Homo sapiens","U6 SMALL NUCLEAR RNA (ADENINE-(43)-N(6))-METHYLTRANSFERASE","no annotation",5,"GLY A 121;ALA A 122;GLY A 106;VAL A 157;ILE A 155","None","0.98A","3tkwA-6b92A:undetectable","3tkwA-6b92A:15.31"],["3TKW_B_017B401_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"LEU A  28;ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);3TL A 201 (-3.4A)","0.20A","3tkwA-6fivA:15.6","3tkwA-6fivA:30.08"],["3TKW_B_017B401_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"LEU A  28;ASP A  30;GLY A  32;ALA A  33;ASP A  34;VAL A  99","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);None","0.45A","3tkwA-6fivA:15.6","3tkwA-6fivA:30.08"],["3TKW_B_017B401_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  84","None;None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);None","0.64A","3tkwA-6upjA:18.2","3tkwA-6upjA:49.49"],["3TKW_B_017B401_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.72A","3tkwA-6upjA:18.2","3tkwA-6upjA:49.49"]]