SIMILAR PATTERNS OF AMINO ACIDS FOR 3EKX_B_1UNB201_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.	1c7t	BETA-N-ACETYLHEXOSAM INIDASE (Serratia marcescens)	PF00728 (Glyco_hydro_20) PF02838 (Glyco_hydro_20b) PF03173 (CHB_HEX) PF03174 (CHB_HEX_C)	5	GLY A 537 ALA A 615 VAL A 634 GLY A 598 THR A 631	None	0.95A	3ekxA-1c7tA: undetectable	3ekxA-1c7tA: 8.56
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.	1cij	PROTEIN (HALOALKANE DEHALOGENASE) (Xanthobacter autotrophicus)	PF00561 (Abhydrolase_1)	5	ALA A 149 ASP A 124 GLY A 264 PRO A 281 ILE A 146	None BR A 401 ( 4.8A) None None None	0.94A	3ekxA-1cijA: undetectable	3ekxA-1cijA: 15.19
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.	1cp2	NITROGENASE IRON PROTEIN (Clostridium pasteurianum)	PF00142 (Fer4_NifH)	6	ASP A 38 ALA A 41 ASP A 42 GLY A 13 ILE A 12 THR A 18	None	1.29A	3ekxA-1cp2A: undetectable	3ekxA-1cp2A: 17.41
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.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	ASP E 215 GLY E 217 VAL E 222 GLY E 76 ILE E 300	None	0.76A	3ekxA-1cziE: 6.6	3ekxA-1cziE: 17.77
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.	1gmm	CBM6 (Ruminiclostridium thermocellum)	PF03422 (CBM_6)	6	GLY A 62 ALA A 63 ASP A 64 GLY A 117 ILE A 35 THR A 85	None None None None NA A1131 (-4.1A) None	1.47A	3ekxA-1gmmA: undetectable	3ekxA-1gmmA: 18.12
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)	8	ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 48 THR A 80 PRO A 81 ILE A 84	A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 ( 4.4A) A79 A 800 (-3.6A) None A79 A 800 ( 3.9A) A79 A 800 (-3.6A)	0.84A	3ekxA-1hvcA: 14.5	3ekxA-1hvcA: 48.28
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)	8	ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 48 THR A 80 PRO A 81 ILE A 84	A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 ( 4.3A) A79 A 800 (-4.1A) None A79 A 800 ( 3.4A) A79 A 800 (-3.8A)	0.82A	3ekxA-1hvcA: 14.5	3ekxA-1hvcA: 48.28
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)	11	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 THR A 80 PRO A 81 ILE A 84	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) None A79 A 800 ( 3.9A) A79 A 800 (-3.6A)	0.40A	3ekxA-1hvcA: 14.5	3ekxA-1hvcA: 48.28
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)	11	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 THR A 80 PRO A 81 ILE A 84	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) None A79 A 800 ( 3.4A) A79 A 800 (-3.8A)	0.51A	3ekxA-1hvcA: 14.5	3ekxA-1hvcA: 48.28
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	0.88A	3ekxA-1kaeA: undetectable	3ekxA-1kaeA: 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.	1l5j	ACONITATE HYDRATASE 2 (Escherichia coli)	PF00330 (Aconitase) PF06434 (Aconitase_2_N) PF11791 (Aconitase_B_N)	5	GLY A 721 ALA A 720 GLY A 715 ILE A 714 ILE A 707	None	0.88A	3ekxA-1l5jA: undetectable	3ekxA-1l5jA: 8.31
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.	1l8w	VLSE1 (Borreliella burgdorferi)	PF00921 (Lipoprotein_2)	5	GLY A 221 ALA A 222 ASP A 277 GLY A 197 ILE A 284	None	0.83A	3ekxA-1l8wA: undetectable	3ekxA-1l8wA: 14.55
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.	1lxy	ARGININE DEIMINASE (Mycoplasma arginini)	PF02274 (Amidinotransf)	5	GLY A 336 ALA A 337 ILE A 330 THR A 346 ILE A 342	None	0.91A	3ekxA-1lxyA: undetectable	3ekxA-1lxyA: 14.80
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.	1nvm	ACETALDEHYDE DEHYDROGENASE (ACYLATING) (Pseudomonas sp. CF600)	PF01118 (Semialdhyde_dh) PF09290 (AcetDehyd-dimer)	5	GLY B 192 VAL B 211 GLY B 187 ILE B 186 ILE B 155	None	0.96A	3ekxA-1nvmB: undetectable	3ekxA-1nvmB: 16.61
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.	1orf	GRANZYME A (Homo sapiens)	PF00089 (Trypsin)	5	GLY A 44 ALA A 45 GLY A 211 ILE A 229 ILE A 47	None	0.94A	3ekxA-1orfA: undetectable	3ekxA-1orfA: 17.33
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.	1p2f	RESPONSE REGULATOR (Thermotoga maritima)	PF00072 (Response_reg) PF00486 (Trans_reg_C)	5	GLY A 93 ALA A 94 ASP A 95 ILE A 61 THR A 78	None	0.85A	3ekxA-1p2fA: undetectable	3ekxA-1p2fA: 16.96
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.	1q8f	PYRIMIDINE NUCLEOSIDE HYDROLASE (Escherichia coli)	PF01156 (IU_nuc_hydro)	6	ALA A 19 ASP A 240 VAL A 238 GLY A 245 ILE A 248 ILE A 18	None GOL A3001 ( 2.5A) None None None None	1.36A	3ekxA-1q8fA: undetectable	3ekxA-1q8fA: 16.29
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)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 THR A 80 PRO A 81 ILE A 84	None	0.68A	3ekxA-1q9pA: 10.6	3ekxA-1q9pA: 92.63
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 ALA A 28 ASP A 29 GLY A 48 THR A 80 PRO A 81 ILE A 84	None	0.86A	3ekxA-1sivA: 18.5	3ekxA-1sivA: 50.51
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	ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50 PRO A 81	None	1.37A	3ekxA-1sivA: 18.5	3ekxA-1sivA: 50.51
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)	10	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 THR A 80 PRO A 81 ILE A 84	None	0.50A	3ekxA-1sivA: 18.5	3ekxA-1sivA: 50.51
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.	1upx	HYDROXYLAMINE REDUCTASE (Desulfovibrio desulfuricans)	PF03063 (Prismane)	5	GLY A 152 ALA A 154 VAL A 66 ILE A 146 THR A 41	None	0.87A	3ekxA-1upxA: undetectable	3ekxA-1upxA: 11.01
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.	2b3x	IRON-RESPONSIVE ELEMENT BINDING PROTEIN 1 (Homo sapiens)	PF00330 (Aconitase) PF00694 (Aconitase_C)	5	GLY A 672 ALA A 770 VAL A 795 GLY A 775 PRO A 787	None	0.96A	3ekxA-2b3xA: undetectable	3ekxA-2b3xA: 7.74
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.	2fj0	CARBOXYLIC ESTER HYDROLASE (Manduca sexta)	PF00135 (COesterase)	5	GLY A 224 GLY A 352 ILE A 351 PRO A 517 ILE A 508	None	0.94A	3ekxA-2fj0A: undetectable	3ekxA-2fj0A: 10.67
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)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 54 PRO A 86 ILE A 89	LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) None LP1 A 201 (-3.6A) LP1 A 201 (-3.9A) LP1 A 201 (-4.2A)	0.93A	3ekxA-2fmbA: 15.2	3ekxA-2fmbA: 33.65
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)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 55 PRO A 86 ILE A 89	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 (-3.9A) LP1 A 201 (-4.2A)	0.43A	3ekxA-2fmbA: 15.2	3ekxA-2fmbA: 33.65
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.	2isq	CYSTEINE SYNTHASE (Arabidopsis thaliana)	PF00291 (PALP)	5	GLY A 190 ALA A 189 GLY A 183 ILE A 180 PRO A 296	None None PLP A 400 (-3.4A) PLP A 400 (-4.9A) PLP A 400 (-4.0A)	0.76A	3ekxA-2isqA: undetectable	3ekxA-2isqA: 16.88
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.	2p3e	DIAMINOPIMELATE DECARBOXYLASE (Aquifex aeolicus)	PF00278 (Orn_DAP_Arg_deC) PF02784 (Orn_Arg_deC_N)	5	ALA A 355 VAL A 371 GLY A 345 ILE A 308 ILE A 328	None	0.92A	3ekxA-2p3eA: undetectable	3ekxA-2p3eA: 13.88
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.	2pwh	SUCROSE ISOMERASE ([Pseudomonas] mesoacidophila)	PF00128 (Alpha-amylase) PF11941 (DUF3459)	5	GLY A 45 ASP A 47 ILE A 469 THR A 354 ILE A 363	None	0.88A	3ekxA-2pwhA: undetectable	3ekxA-2pwhA: 13.39
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.	2qr7	RIBOSOMAL PROTEIN S6 KINASE ALPHA-3 (Mus musculus)	PF00069 (Pkinase)	6	GLY A 594 ALA A 597 ASP A 596 ASP A 600 VAL A 527 GLY A 534	None	1.48A	3ekxA-2qr7A: undetectable	3ekxA-2qr7A: 14.04
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.	2qzw	CANDIDAPEPSIN-1 (Candida albicans)	PF00026 (Asp)	5	ASP A 32 GLY A 34 ASP A 37 PRO A 120 ILE A 123	None	0.93A	3ekxA-2qzwA: 7.0	3ekxA-2qzwA: 14.54
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)	7	ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81 ILE A 84	AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-4.2A) None AB1 A 501 (-4.2A) AB1 A 501 ( 4.2A)	0.85A	3ekxA-2rkfA: 20.6	3ekxA-2rkfA: 82.83
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 THR A 80 ILE A 84	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) None AB1 A 501 ( 4.2A)	0.44A	3ekxA-2rkfA: 20.6	3ekxA-2rkfA: 82.83
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 50 THR A 80 PRO A 81 ILE A 84	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 (-3.8A) None AB1 A 501 (-4.2A) AB1 A 501 ( 4.2A)	0.58A	3ekxA-2rkfA: 20.6	3ekxA-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)	5	ASP A 37 GLY A 39 ALA A 40 ASP A 41 ILE A 108	None	0.15A	3ekxA-2rspA: 13.0	3ekxA-2rspA: 32.80
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.	2ww9	SEC SIXTY-ONE PROTEIN HOMOLOG (Saccharomyces cerevisiae)	PF00344 (SecY) PF10559 (Plug_translocon)	5	GLY A 40 ALA A 39 VAL A 170 ILE A 33 ILE A 171	None	0.93A	3ekxA-2ww9A: undetectable	3ekxA-2ww9A: 12.90
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.	2x3n	PROBABLE FAD-DEPENDENT MONOOXYGENASE (Pseudomonas aeruginosa)	PF01494 (FAD_binding_3)	5	ALA A 308 ASP A 311 GLY A 162 ILE A 163 ILE A 15	FAD A1371 (-3.6A) None FAD A1371 ( 3.7A) None None	0.86A	3ekxA-2x3nA: undetectable	3ekxA-2x3nA: 13.42
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.	3abi	PUTATIVE UNCHARACTERIZED PROTEIN PH1688 (Pyrococcus horikoshii)	PF03435 (Sacchrp_dh_NADP) PF16653 (Sacchrp_dh_C)	5	GLY A 117 ALA A 116 ASP A 115 GLY A 67 ILE A 306	NAD A1001 (-3.6A) None None None None	0.95A	3ekxA-3abiA: undetectable	3ekxA-3abiA: 12.04
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	1.34A	3ekxA-3b8bA: undetectable	3ekxA-3b8bA: 16.20
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.	3fby	CARTILAGE OLIGOMERIC MATRIX PROTEIN (Homo sapiens)	PF02412 (TSP_3) PF05735 (TSP_C)	5	ASP A 369 GLY A 368 ASP A 373 PRO A 391 ILE A 375	CA A 809 ( 4.9A) CA A 809 ( 4.4A) None CA A 812 (-4.7A) None	0.96A	3ekxA-3fbyA: undetectable	3ekxA-3fbyA: 9.36
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.	3g7r	PUTATIVE TRANSCRIPTIONAL REGULATOR (Streptomyces coelicolor)	PF00440 (TetR_N)	5	GLY A 166 ALA A 167 VAL A 99 GLY A 186 ILE A 98	None None None None EDO A 960 ( 4.8A)	0.78A	3ekxA-3g7rA: undetectable	3ekxA-3g7rA: 18.69
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.	3gbd	SUCROSE ISOMERASE SMUA FROM PROTAMINOBACTER RUBRUM (Serratia plymuthica)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	5	GLY A 59 ASP A 61 ILE A 484 THR A 369 ILE A 378	None	0.93A	3ekxA-3gbdA: undetectable	3ekxA-3gbdA: 10.73
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.	3i5g	MYOSIN HEAVY CHAIN ISOFORM A (Doryteuthis pealeii)	PF00063 (Myosin_head) PF00612 (IQ) PF02736 (Myosin_N)	6	GLY A 264 ALA A 265 ASP A 266 GLY A 460 ILE A 459 ILE A 224	None	1.13A	3ekxA-3i5gA: undetectable	3ekxA-3i5gA: 8.34
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.	3kh9	THIOL:DISULFIDE INTERCHANGE PROTEIN DSBE (Pseudomonas aeruginosa)	PF08534 (Redoxin)	5	ASP A 123 GLY A 126 VAL A 69 GLY A 133 ILE A 97	None	0.89A	3ekxA-3kh9A: undetectable	3ekxA-3kh9A: 19.30
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.	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	0.87A	3ekxA-3kyhA: undetectable	3ekxA-3kyhA: 15.67
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)	8	ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 48 THR A 80 PRO A 81 ILE A 84	None	0.91A	3ekxA-3mwsA: 19.3	3ekxA-3mwsA: 77.78
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)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 THR A 80 PRO A 81 ILE A 84	None	0.68A	3ekxA-3mwsA: 19.3	3ekxA-3mwsA: 77.78
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)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 ILE A 50 THR A 80 ILE A 84	None	0.55A	3ekxA-3mwsA: 19.3	3ekxA-3mwsA: 77.78
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)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 THR A 80 PRO A 81 ILE A 84	None	0.65A	3ekxA-3mwsA: 19.3	3ekxA-3mwsA: 77.78
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.	3njx	RHAMNOGALACTURONASE B (Aspergillus aculeatus)	PF09284 (RhgB_N) PF14683 (CBM-like) PF14686 (fn3_3)	6	GLY A 346 ASP A 349 VAL A 336 GLY A 420 ILE A 419 THR A 338	None CA A 800 (-2.9A) None None None None	1.37A	3ekxA-3njxA: undetectable	3ekxA-3njxA: 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.	3nnn	DNA BINDING RESPONSE REGULATOR D (Thermotoga maritima)	PF00072 (Response_reg)	5	GLY A 96 ALA A 97 ASP A 98 ILE A 64 THR A 81	None None None None BEF A 402 (-3.2A)	0.84A	3ekxA-3nnnA: undetectable	3ekxA-3nnnA: 17.46
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.	3nns	DNA BINDING RESPONSE REGULATOR B (Thermotoga maritima)	PF00072 (Response_reg)	5	GLY A 93 ALA A 94 ASP A 95 ILE A 61 THR A 78	None None None None BEF A 402 (-3.6A)	0.78A	3ekxA-3nnsA: undetectable	3ekxA-3nnsA: 22.13
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.	3pc3	CG1753, ISOFORM A (Drosophila melanogaster)	PF00291 (PALP) PF00571 (CBS)	5	ALA A 200 GLY A 232 ILE A 233 THR A 226 ILE A 91	None HEM A 701 ( 3.9A) None P1T A 702 (-2.8A) None	0.94A	3ekxA-3pc3A: undetectable	3ekxA-3pc3A: 12.50
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.	3q58	N-ACETYLMANNOSAMINE- 6-PHOSPHATE 2-EPIMERASE (Salmonella enterica)	PF04131 (NanE)	5	GLY A 98 ALA A 99 GLY A 54 THR A 85 ILE A 102	PEG A 239 ( 4.2A) None None None None	0.89A	3ekxA-3q58A: undetectable	3ekxA-3q58A: 22.22
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.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	6	ASP A 32 GLY A 34 ALA A 35 VAL A 39 GLY A 56 PRO A 89	3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) None 3TL A 126 (-3.4A) 3TL A 126 (-4.0A)	0.64A	3ekxA-3slzA: 11.3	3ekxA-3slzA: 26.67
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)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50	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)	0.51A	3ekxA-3t3cA: 18.5	3ekxA-3t3cA: 77.78
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)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 THR A 80 PRO A 81	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) None None	0.71A	3ekxA-3t3cA: 18.5	3ekxA-3t3cA: 77.78
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	ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81	017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-4.6A) None None 017 A 201 (-4.1A)	0.89A	3ekxA-3ttpA: 19.2	3ekxA-3ttpA: 79.80
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 THR A 80 ILE A 84	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) None 017 A 201 (-4.7A)	0.70A	3ekxA-3ttpA: 19.2	3ekxA-3ttpA: 79.80
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 THR A 80 PRO A 81 ILE A 84	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) None 017 A 201 (-4.1A) 017 A 201 (-4.7A)	0.62A	3ekxA-3ttpA: 19.2	3ekxA-3ttpA: 79.80
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	ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81	017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) 017 A 202 ( 4.6A) None 017 A 202 (-4.0A)	0.99A	3ekxA-3u7sA: 19.6	3ekxA-3u7sA: 78.79
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 THR A 80	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) None	0.49A	3ekxA-3u7sA: 19.6	3ekxA-3u7sA: 78.79
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 THR A 80 PRO A 81	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) None 017 A 202 (-4.0A)	0.44A	3ekxA-3u7sA: 19.6	3ekxA-3u7sA: 78.79
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 THR A 80 PRO A 81	None	0.68A	3ekxA-3uhlA: 15.8	3ekxA-3uhlA: 78.79
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.	4ao7	ESTERASE (unidentified)	PF12146 (Hydrolase_4)	5	ALA A 125 VAL A 31 ILE A 119 PRO A 82 ILE A 79	None	0.87A	3ekxA-4ao7A: undetectable	3ekxA-4ao7A: 19.21
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.	4c3y	3-KETOSTEROID DEHYDROGENASE (Rhodococcus erythropolis)	PF00890 (FAD_binding_2)	6	GLY A 459 ALA A 504 ASP A 507 VAL A 10 GLY A 471 ILE A 469	None	1.47A	3ekxA-4c3yA: undetectable	3ekxA-4c3yA: 12.43
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.	4din	CAMP-DEPENDENT PROTEIN KINASE TYPE I-BETA REGULATORY SUBUNIT (Homo sapiens)	PF00027 (cNMP_binding) PF02197 (RIIa)	5	GLY B 199 VAL B 162 GLY B 223 ILE B 224 ILE B 163	None	0.88A	3ekxA-4dinB: undetectable	3ekxA-4dinB: 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.	4e4j	ARGININE DEIMINASE (Mycoplasma penetrans)	PF02274 (Amidinotransf)	5	GLY A 378 ALA A 379 ILE A 372 THR A 388 ILE A 384	None	0.81A	3ekxA-4e4jA: undetectable	3ekxA-4e4jA: 11.29
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.	4hoz	SUCROSE ISOMERASE (Erwinia rhapontici)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	5	GLY A 86 ASP A 88 ILE A 511 THR A 396 ILE A 405	None	0.95A	3ekxA-4hozA: undetectable	3ekxA-4hozA: 10.38
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.	4iqy	O-ACETYL-ADP-RIBOSE DEACETYLASE MACROD2 (Homo sapiens)	PF01661 (Macro)	5	GLY A 191 ALA A 149 GLY A 146 ILE A 185 ILE A 153	None	0.87A	3ekxA-4iqyA: undetectable	3ekxA-4iqyA: 19.07
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.	4jc5	TRANSMEMBRANE PROTEIN 173 (Mus musculus)	PF15009 (TMEM173)	5	GLY A 233 GLY A 165 ILE A 164 PRO A 172 ILE A 229	None	0.94A	3ekxA-4jc5A: undetectable	3ekxA-4jc5A: 18.59
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.	4kpn	NUCLEOSIDE N-RIBOHYDROLASE 1 (Physcomitrella patens)	PF01156 (IU_nuc_hydro)	5	GLY A 27 ASP A 29 GLY A 142 ILE A 51 ILE A 34	None CA A 400 ( 4.5A) CA A 400 ( 4.4A) None None	0.88A	3ekxA-4kpnA: undetectable	3ekxA-4kpnA: 19.33
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.	4kpo	NUCLEOSIDE N-RIBOHYDROLASE 3 (Zea mays)	PF01156 (IU_nuc_hydro)	5	GLY A 10 ASP A 12 GLY A 124 ILE A 34 ILE A 17	None CA A 401 ( 4.8A) CA A 401 ( 4.3A) None None	0.84A	3ekxA-4kpoA: undetectable	3ekxA-4kpoA: 16.39
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.	4ml9	UNCHARACTERIZED PROTEIN (Sebaldella termitidis)	PF00977 (His_biosynth)	5	GLY A 132 ALA A 133 ASP A 134 PRO A 109 ILE A 128	None	0.96A	3ekxA-4ml9A: undetectable	3ekxA-4ml9A: 19.08
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	ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 48 THR A 80 PRO A 81 ILE A 84	RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 (-4.8A) None RIT A 500 (-3.9A) RIT A 500 (-4.3A)	0.73A	3ekxA-4njvA: 20.1	3ekxA-4njvA: 85.86
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 THR A 80 PRO A 81 ILE A 84	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 None RIT A 500 (-3.9A) RIT A 500 (-4.3A)	0.50A	3ekxA-4njvA: 20.1	3ekxA-4njvA: 85.86
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)	10	ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 ILE A 50 THR A 80 PRO A 81 ILE A 84	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) None RIT A 500 (-3.9A) RIT A 500 (-4.3A)	0.53A	3ekxA-4njvA: 20.1	3ekxA-4njvA: 85.86
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.	4tqk	LECTIN 2 (Agrocybe aegerita)	PF13517 (VCBS)	5	ASP A 345 GLY A 350 ASP A 290 VAL A 343 GLY A 371	None	0.85A	3ekxA-4tqkA: undetectable	3ekxA-4tqkA: 13.98
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.	4xib	E3 UBIQUITIN-PROTEIN LIGASE MIB1 (Homo sapiens)	PF00569 (ZZ) PF06701 (MIB_HERC2)	5	GLY A 154 ALA A 155 ASP A 220 GLY A 223 ILE A 151	None	0.95A	3ekxA-4xibA: undetectable	3ekxA-4xibA: 13.44
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.	4xr9	CALS8 (Micromonospora echinospora)	PF00984 (UDPG_MGDP_dh) PF03720 (UDPG_MGDP_dh_C) PF03721 (UDPG_MGDP_dh_N)	5	ASP A 248 VAL A 249 GLY A 452 ILE A 451 ILE A 250	None	0.81A	3ekxA-4xr9A: undetectable	3ekxA-4xr9A: 13.83
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	ASP A 32 GLY A 34 ALA A 35 ASP A 36 VAL A 39 GLY A 58 ILE A 100	4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) None 4B1 A 201 (-3.4A) 4B1 A 201 (-4.8A)	0.58A	3ekxA-4ydfA: 13.0	3ekxA-4ydfA: 31.62
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	ALA A 28 ASP A 30 THR A 80 PRO A 81 ILE A 84	None	0.69A	3ekxA-5b18A: 17.7	3ekxA-5b18A: 75.76
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)	6	GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 84	None	0.83A	3ekxA-5b18A: 17.7	3ekxA-5b18A: 75.76
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)	6	GLY A 27 ALA A 28 ASP A 29 ASP A 30 THR A 80 ILE A 84	None	0.52A	3ekxA-5b18A: 17.7	3ekxA-5b18A: 75.76
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.	5d88	PREDICTED PROTEASE OF THE COLLAGENASE FAMILY (Methanopyrus kandleri)	PF01136 (Peptidase_U32)	5	GLY A 70 ALA A 69 ASP A 102 GLY A 78 THR A 85	ZN A 301 ( 4.3A) None None None None	0.93A	3ekxA-5d88A: undetectable	3ekxA-5d88A: 17.08
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.	5g5g	PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT (Escherichia coli)	PF00111 (Fer2) PF01799 (Fer2_2)	5	GLY A 211 ALA A 212 ASP A 154 GLY A 159 ILE A 216	None None None FES A 230 (-4.2A) None	0.82A	3ekxA-5g5gA: undetectable	3ekxA-5g5gA: 23.91
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.	5hsi	PUTATIVE DECARBOXYLASE (Lactobacillus brevis)	PF00282 (Pyridoxal_deC)	5	GLY A 333 ALA A 329 ASP A 328 GLY A 402 ILE A 386	None	0.96A	3ekxA-5hsiA: undetectable	3ekxA-5hsiA: 11.04
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.	5lgc	ARCE4A (Arthrobacter sp. AW19M34-1)	PF01522 (Polysacc_deac_1)	5	GLY A 194 ASP A 192 VAL A 187 THR A 51 PRO A 52	None	0.88A	3ekxA-5lgcA: undetectable	3ekxA-5lgcA: 18.87
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.	5opf	CHITIN-BINDING DOMAIN 3 PROTEIN (Micromonospora aurantiaca)	no annotation	5	GLY A 145 ALA A 146 ASP A 147 THR A 210 ILE A 149	None	0.90A	3ekxA-5opfA: undetectable	3ekxA-5opfA: 18.37
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 THR A 80 ILE A 84	None	0.59A	3ekxA-5t2zA: 19.7	3ekxA-5t2zA: 78.79
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 THR A 80 PRO A 81 ILE A 84	None	0.57A	3ekxA-5t2zA: 19.7	3ekxA-5t2zA: 78.79
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.	5ufm	METHYLTRANSFERASE DOMAIN PROTEIN (Burkholderia thailandensis)	no annotation	5	ASP A 95 GLY A 76 ASP A 72 VAL A 120 GLY A 136	SAH A 301 (-2.7A) SAH A 301 (-3.6A) None SAH A 301 (-4.1A) AZ8 A 302 ( 3.5A)	0.84A	3ekxA-5ufmA: undetectable	3ekxA-5ufmA: 16.67
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.	6c2h	CYSTATHIONINE BETA-SYNTHASE (Saccharomyces cerevisiae)	no annotation	5	ALA A 166 GLY A 203 ILE A 204 THR A 197 ILE A 56	PGE A 409 ( 4.3A) None None PLP A 401 (-2.9A) None	0.93A	3ekxA-6c2hA: undetectable	3ekxA-6c2hA: 20.39
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.	6f9n	CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 1 PRE-MRNA 3' END PROCESSING PROTEIN WDR33 (Homo sapiens)	no annotation	5	ASP B 58 VAL B 63 GLY A1187 ILE A1186 ILE B 64	None	0.96A	3ekxA-6f9nB: undetectable	3ekxA-6f9nB: 19.00
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.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	5	ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58	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)	0.18A	3ekxA-6fivA: 15.3	3ekxA-6fivA: 29.57
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)	6	ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81	NIU A 100 (-3.6A) None None None None None	0.86A	3ekxA-6upjA: 17.7	3ekxA-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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 THR A 80 ILE A 84	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) None None	0.65A	3ekxA-6upjA: 17.7	3ekxA-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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 THR A 80 PRO A 81 ILE A 84	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None None None None	0.52A	3ekxA-6upjA: 17.7	3ekxA-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)	6	GLY A 27 ASP A 29 ASP A 30 GLY A 49 ILE A 50 THR A 80	NIU A 100 (-4.5A) None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.86A	3ekxA-6upjA: 17.7	3ekxA-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)	6	GLY A 27 ASP A 29 ASP A 30 ILE A 50 THR A 80 PRO A 81	NIU A 100 (-4.5A) None None NIU A 100 (-3.9A) None None	0.82A	3ekxA-6upjA: 17.7	3ekxA-6upjA: 49.49

[["3EKX_B_1UNB201_1","1c7t","Serratia marcescens","BETA-N-ACETYLHEXOSAMINIDASE","PF00728(Glyco_hydro_20);PF02838(Glyco_hydro_20b);PF03173(CHB_HEX);PF03174(CHB_HEX_C)",5,"GLY A 537;ALA A 615;VAL A 634;GLY A 598;THR A 631","None","0.95A","3ekxA-1c7tA:undetectable","3ekxA-1c7tA:8.56"],["3EKX_B_1UNB201_1","1cij","Xanthobacter autotrophicus","PROTEIN (HALOALKANE DEHALOGENASE)","PF00561(Abhydrolase_1)",5,"ALA A 149;ASP A 124;GLY A 264;PRO A 281;ILE A 146","None; BR A 401 ( 4.8A);None;None;None","0.94A","3ekxA-1cijA:undetectable","3ekxA-1cijA:15.19"],["3EKX_B_1UNB201_1","1cp2","Clostridium pasteurianum","NITROGENASE IRON PROTEIN","PF00142(Fer4_NifH)",6,"ASP A  38;ALA A  41;ASP A  42;GLY A  13;ILE A  12;THR A  18","None","1.29A","3ekxA-1cp2A:undetectable","3ekxA-1cp2A:17.41"],["3EKX_B_1UNB201_1","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"ASP E 215;GLY E 217;VAL E 222;GLY E  76;ILE E 300","None","0.76A","3ekxA-1cziE:6.6","3ekxA-1cziE:17.77"],["3EKX_B_1UNB201_1","1gmm","Ruminiclostridium thermocellum","CBM6","PF03422(CBM_6)",6,"GLY A  62;ALA A  63;ASP A  64;GLY A 117;ILE A  35;THR A  85","None;None;None;None; NA A1131 (-4.1A);None","1.47A","3ekxA-1gmmA:undetectable","3ekxA-1gmmA:18.12"],["3EKX_B_1UNB201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48;THR A  80;PRO A  81;ILE A  84","A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 ( 4.4A);A79 A 800 (-3.6A);None;A79 A 800 ( 3.9A);A79 A 800 (-3.6A)","0.84A","3ekxA-1hvcA:14.5","3ekxA-1hvcA:48.28"],["3EKX_B_1UNB201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48;THR A  80;PRO A  81;ILE A  84","A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 ( 4.3A);A79 A 800 (-4.1A);None;A79 A 800 ( 3.4A);A79 A 800 (-3.8A)","0.82A","3ekxA-1hvcA:14.5","3ekxA-1hvcA:48.28"],["3EKX_B_1UNB201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;THR A  80;PRO A  81;ILE A  84","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);None;A79 A 800 ( 3.9A);A79 A 800 (-3.6A)","0.40A","3ekxA-1hvcA:14.5","3ekxA-1hvcA:48.28"],["3EKX_B_1UNB201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;THR A  80;PRO A  81;ILE A  84","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);None;A79 A 800 ( 3.4A);A79 A 800 (-3.8A)","0.51A","3ekxA-1hvcA:14.5","3ekxA-1hvcA:48.28"],["3EKX_B_1UNB201_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","0.88A","3ekxA-1kaeA:undetectable","3ekxA-1kaeA:13.52"],["3EKX_B_1UNB201_1","1l5j","Escherichia coli","ACONITATE HYDRATASE 2","PF00330(Aconitase);PF06434(Aconitase_2_N);PF11791(Aconitase_B_N)",5,"GLY A 721;ALA A 720;GLY A 715;ILE A 714;ILE A 707","None","0.88A","3ekxA-1l5jA:undetectable","3ekxA-1l5jA:8.31"],["3EKX_B_1UNB201_1","1l8w","Borreliella burgdorferi","VLSE1","PF00921(Lipoprotein_2)",5,"GLY A 221;ALA A 222;ASP A 277;GLY A 197;ILE A 284","None","0.83A","3ekxA-1l8wA:undetectable","3ekxA-1l8wA:14.55"],["3EKX_B_1UNB201_1","1lxy","Mycoplasma arginini","ARGININE DEIMINASE","PF02274(Amidinotransf)",5,"GLY A 336;ALA A 337;ILE A 330;THR A 346;ILE A 342","None","0.91A","3ekxA-1lxyA:undetectable","3ekxA-1lxyA:14.80"],["3EKX_B_1UNB201_1","1nvm","Pseudomonas sp. CF600","ACETALDEHYDE DEHYDROGENASE (ACYLATING)","PF01118(Semialdhyde_dh);PF09290(AcetDehyd-dimer)",5,"GLY B 192;VAL B 211;GLY B 187;ILE B 186;ILE B 155","None","0.96A","3ekxA-1nvmB:undetectable","3ekxA-1nvmB:16.61"],["3EKX_B_1UNB201_1","1orf","Homo sapiens","GRANZYME A","PF00089(Trypsin)",5,"GLY A  44;ALA A  45;GLY A 211;ILE A 229;ILE A  47","None","0.94A","3ekxA-1orfA:undetectable","3ekxA-1orfA:17.33"],["3EKX_B_1UNB201_1","1p2f","Thermotoga maritima","RESPONSE REGULATOR","PF00072(Response_reg);PF00486(Trans_reg_C)",5,"GLY A  93;ALA A  94;ASP A  95;ILE A  61;THR A  78","None","0.85A","3ekxA-1p2fA:undetectable","3ekxA-1p2fA:16.96"],["3EKX_B_1UNB201_1","1q8f","Escherichia coli","PYRIMIDINE NUCLEOSIDE HYDROLASE","PF01156(IU_nuc_hydro)",6,"ALA A  19;ASP A 240;VAL A 238;GLY A 245;ILE A 248;ILE A  18","None;GOL A3001 ( 2.5A);None;None;None;None","1.36A","3ekxA-1q8fA:undetectable","3ekxA-1q8fA:16.29"],["3EKX_B_1UNB201_1","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;THR A  80;PRO A  81;ILE A  84","None","0.68A","3ekxA-1q9pA:10.6","3ekxA-1q9pA:92.63"],["3EKX_B_1UNB201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",7,"ASP A  25;ALA A  28;ASP A  29;GLY A  48;THR A  80;PRO A  81;ILE A  84","None","0.86A","3ekxA-1sivA:18.5","3ekxA-1sivA:50.51"],["3EKX_B_1UNB201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",6,"ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50;PRO A  81","None","1.37A","3ekxA-1sivA:18.5","3ekxA-1sivA:50.51"],["3EKX_B_1UNB201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",10,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;THR A  80;PRO A  81;ILE A  84","None","0.50A","3ekxA-1sivA:18.5","3ekxA-1sivA:50.51"],["3EKX_B_1UNB201_1","1upx","Desulfovibrio desulfuricans","HYDROXYLAMINE REDUCTASE","PF03063(Prismane)",5,"GLY A 152;ALA A 154;VAL A  66;ILE A 146;THR A  41","None","0.87A","3ekxA-1upxA:undetectable","3ekxA-1upxA:11.01"],["3EKX_B_1UNB201_1","2b3x","Homo sapiens","IRON-RESPONSIVE ELEMENT BINDING PROTEIN 1","PF00330(Aconitase);PF00694(Aconitase_C)",5,"GLY A 672;ALA A 770;VAL A 795;GLY A 775;PRO A 787","None","0.96A","3ekxA-2b3xA:undetectable","3ekxA-2b3xA:7.74"],["3EKX_B_1UNB201_1","2fj0","Manduca sexta","CARBOXYLIC ESTER HYDROLASE","PF00135(COesterase)",5,"GLY A 224;GLY A 352;ILE A 351;PRO A 517;ILE A 508","None","0.94A","3ekxA-2fj0A:undetectable","3ekxA-2fj0A:10.67"],["3EKX_B_1UNB201_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  54;PRO A  86;ILE A  89","LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);None;LP1 A 201 (-3.6A);LP1 A 201 (-3.9A);LP1 A 201 (-4.2A)","0.93A","3ekxA-2fmbA:15.2","3ekxA-2fmbA:33.65"],["3EKX_B_1UNB201_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  55;PRO A  86;ILE A  89","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 (-3.9A);LP1 A 201 (-4.2A)","0.43A","3ekxA-2fmbA:15.2","3ekxA-2fmbA:33.65"],["3EKX_B_1UNB201_1","2isq","Arabidopsis thaliana","CYSTEINE SYNTHASE","PF00291(PALP)",5,"GLY A 190;ALA A 189;GLY A 183;ILE A 180;PRO A 296","None;None;PLP A 400 (-3.4A);PLP A 400 (-4.9A);PLP A 400 (-4.0A)","0.76A","3ekxA-2isqA:undetectable","3ekxA-2isqA:16.88"],["3EKX_B_1UNB201_1","2p3e","Aquifex aeolicus","DIAMINOPIMELATE DECARBOXYLASE","PF00278(Orn_DAP_Arg_deC);PF02784(Orn_Arg_deC_N)",5,"ALA A 355;VAL A 371;GLY A 345;ILE A 308;ILE A 328","None","0.92A","3ekxA-2p3eA:undetectable","3ekxA-2p3eA:13.88"],["3EKX_B_1UNB201_1","2pwh","[Pseudomonas] mesoacidophila","SUCROSE ISOMERASE","PF00128(Alpha-amylase);PF11941(DUF3459)",5,"GLY A  45;ASP A  47;ILE A 469;THR A 354;ILE A 363","None","0.88A","3ekxA-2pwhA:undetectable","3ekxA-2pwhA:13.39"],["3EKX_B_1UNB201_1","2qr7","Mus musculus","RIBOSOMAL PROTEIN S6 KINASE ALPHA-3","PF00069(Pkinase)",6,"GLY A 594;ALA A 597;ASP A 596;ASP A 600;VAL A 527;GLY A 534","None","1.48A","3ekxA-2qr7A:undetectable","3ekxA-2qr7A:14.04"],["3EKX_B_1UNB201_1","2qzw","Candida albicans","CANDIDAPEPSIN-1","PF00026(Asp)",5,"ASP A  32;GLY A  34;ASP A  37;PRO A 120;ILE A 123","None","0.93A","3ekxA-2qzwA:7.0","3ekxA-2qzwA:14.54"],["3EKX_B_1UNB201_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",7,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81;ILE A  84","AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-4.2A);None;AB1 A 501 (-4.2A);AB1 A 501 ( 4.2A)","0.85A","3ekxA-2rkfA:20.6","3ekxA-2rkfA:82.83"],["3EKX_B_1UNB201_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;THR A  80;ILE A  84","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);None;AB1 A 501 ( 4.2A)","0.44A","3ekxA-2rkfA:20.6","3ekxA-2rkfA:82.83"],["3EKX_B_1UNB201_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  50;THR A  80;PRO A  81;ILE A  84","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 (-3.8A);None;AB1 A 501 (-4.2A);AB1 A 501 ( 4.2A)","0.58A","3ekxA-2rkfA:20.6","3ekxA-2rkfA:82.83"],["3EKX_B_1UNB201_1","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",5,"ASP A  37;GLY A  39;ALA A  40;ASP A  41;ILE A 108","None","0.15A","3ekxA-2rspA:13.0","3ekxA-2rspA:32.80"],["3EKX_B_1UNB201_1","2ww9","Saccharomyces cerevisiae","SEC SIXTY-ONE PROTEIN HOMOLOG","PF00344(SecY);PF10559(Plug_translocon)",5,"GLY A  40;ALA A  39;VAL A 170;ILE A  33;ILE A 171","None","0.93A","3ekxA-2ww9A:undetectable","3ekxA-2ww9A:12.90"],["3EKX_B_1UNB201_1","2x3n","Pseudomonas aeruginosa","PROBABLE FAD-DEPENDENT MONOOXYGENASE","PF01494(FAD_binding_3)",5,"ALA A 308;ASP A 311;GLY A 162;ILE A 163;ILE A  15","FAD A1371 (-3.6A);None;FAD A1371 ( 3.7A);None;None","0.86A","3ekxA-2x3nA:undetectable","3ekxA-2x3nA:13.42"],["3EKX_B_1UNB201_1","3abi","Pyrococcus horikoshii","PUTATIVE UNCHARACTERIZED PROTEIN PH1688","PF03435(Sacchrp_dh_NADP);PF16653(Sacchrp_dh_C)",5,"GLY A 117;ALA A 116;ASP A 115;GLY A  67;ILE A 306","NAD A1001 (-3.6A);None;None;None;None","0.95A","3ekxA-3abiA:undetectable","3ekxA-3abiA:12.04"],["3EKX_B_1UNB201_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","1.34A","3ekxA-3b8bA:undetectable","3ekxA-3b8bA:16.20"],["3EKX_B_1UNB201_1","3fby","Homo sapiens","CARTILAGE OLIGOMERIC MATRIX PROTEIN","PF02412(TSP_3);PF05735(TSP_C)",5,"ASP A 369;GLY A 368;ASP A 373;PRO A 391;ILE A 375"," CA A 809 ( 4.9A); CA A 809 ( 4.4A);None; CA A 812 (-4.7A);None","0.96A","3ekxA-3fbyA:undetectable","3ekxA-3fbyA:9.36"],["3EKX_B_1UNB201_1","3g7r","Streptomyces coelicolor","PUTATIVE TRANSCRIPTIONAL REGULATOR","PF00440(TetR_N)",5,"GLY A 166;ALA A 167;VAL A  99;GLY A 186;ILE A  98","None;None;None;None;EDO A 960 ( 4.8A)","0.78A","3ekxA-3g7rA:undetectable","3ekxA-3g7rA:18.69"],["3EKX_B_1UNB201_1","3gbd","Serratia plymuthica","SUCROSE ISOMERASE SMUA FROM PROTAMINOBACTER RUBRUM","PF00128(Alpha-amylase);PF16657(Malt_amylase_C)",5,"GLY A  59;ASP A  61;ILE A 484;THR A 369;ILE A 378","None","0.93A","3ekxA-3gbdA:undetectable","3ekxA-3gbdA:10.73"],["3EKX_B_1UNB201_1","3i5g","Doryteuthis pealeii","MYOSIN HEAVY CHAIN ISOFORM A","PF00063(Myosin_head);PF00612(IQ);PF02736(Myosin_N)",6,"GLY A 264;ALA A 265;ASP A 266;GLY A 460;ILE A 459;ILE A 224","None","1.13A","3ekxA-3i5gA:undetectable","3ekxA-3i5gA:8.34"],["3EKX_B_1UNB201_1","3kh9","Pseudomonas aeruginosa","THIOL:DISULFIDE INTERCHANGE PROTEIN DSBE","PF08534(Redoxin)",5,"ASP A 123;GLY A 126;VAL A  69;GLY A 133;ILE A  97","None","0.89A","3ekxA-3kh9A:undetectable","3ekxA-3kh9A:19.30"],["3EKX_B_1UNB201_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","0.87A","3ekxA-3kyhA:undetectable","3ekxA-3kyhA:15.67"],["3EKX_B_1UNB201_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48;THR A  80;PRO A  81;ILE A  84","None","0.91A","3ekxA-3mwsA:19.3","3ekxA-3mwsA:77.78"],["3EKX_B_1UNB201_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;THR A  80;PRO A  81;ILE A  84","None","0.68A","3ekxA-3mwsA:19.3","3ekxA-3mwsA:77.78"],["3EKX_B_1UNB201_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;ILE A  50;THR A  80;ILE A  84","None","0.55A","3ekxA-3mwsA:19.3","3ekxA-3mwsA:77.78"],["3EKX_B_1UNB201_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;THR A  80;PRO A  81;ILE A  84","None","0.65A","3ekxA-3mwsA:19.3","3ekxA-3mwsA:77.78"],["3EKX_B_1UNB201_1","3njx","Aspergillus aculeatus","RHAMNOGALACTURONASE B","PF09284(RhgB_N);PF14683(CBM-like);PF14686(fn3_3)",6,"GLY A 346;ASP A 349;VAL A 336;GLY A 420;ILE A 419;THR A 338","None; CA A 800 (-2.9A);None;None;None;None","1.37A","3ekxA-3njxA:undetectable","3ekxA-3njxA:12.66"],["3EKX_B_1UNB201_1","3nnn","Thermotoga maritima","DNA BINDING RESPONSE REGULATOR D","PF00072(Response_reg)",5,"GLY A  96;ALA A  97;ASP A  98;ILE A  64;THR A  81","None;None;None;None;BEF A 402 (-3.2A)","0.84A","3ekxA-3nnnA:undetectable","3ekxA-3nnnA:17.46"],["3EKX_B_1UNB201_1","3nns","Thermotoga maritima","DNA BINDING RESPONSE REGULATOR B","PF00072(Response_reg)",5,"GLY A  93;ALA A  94;ASP A  95;ILE A  61;THR A  78","None;None;None;None;BEF A 402 (-3.6A)","0.78A","3ekxA-3nnsA:undetectable","3ekxA-3nnsA:22.13"],["3EKX_B_1UNB201_1","3pc3","Drosophila melanogaster","CG1753, ISOFORM A","PF00291(PALP);PF00571(CBS)",5,"ALA A 200;GLY A 232;ILE A 233;THR A 226;ILE A  91","None;HEM A 701 ( 3.9A);None;P1T A 702 (-2.8A);None","0.94A","3ekxA-3pc3A:undetectable","3ekxA-3pc3A:12.50"],["3EKX_B_1UNB201_1","3q58","Salmonella enterica","N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE","PF04131(NanE)",5,"GLY A  98;ALA A  99;GLY A  54;THR A  85;ILE A 102","PEG A 239 ( 4.2A);None;None;None;None","0.89A","3ekxA-3q58A:undetectable","3ekxA-3q58A:22.22"],["3EKX_B_1UNB201_1","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",6,"ASP A  32;GLY A  34;ALA A  35;VAL A  39;GLY A  56;PRO A  89","3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);None;3TL A 126 (-3.4A);3TL A 126 (-4.0A)","0.64A","3ekxA-3slzA:11.3","3ekxA-3slzA:26.67"],["3EKX_B_1UNB201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50","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)","0.51A","3ekxA-3t3cA:18.5","3ekxA-3t3cA:77.78"],["3EKX_B_1UNB201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;THR A  80;PRO A  81","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);None;None","0.71A","3ekxA-3t3cA:18.5","3ekxA-3t3cA:77.78"],["3EKX_B_1UNB201_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81","017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-4.6A);None;None;017 A 201 (-4.1A)","0.89A","3ekxA-3ttpA:19.2","3ekxA-3ttpA:79.80"],["3EKX_B_1UNB201_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;THR A  80;ILE A  84","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);None;017 A 201 (-4.7A)","0.70A","3ekxA-3ttpA:19.2","3ekxA-3ttpA:79.80"],["3EKX_B_1UNB201_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;THR A  80;PRO A  81;ILE A  84","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);None;017 A 201 (-4.1A);017 A 201 (-4.7A)","0.62A","3ekxA-3ttpA:19.2","3ekxA-3ttpA:79.80"],["3EKX_B_1UNB201_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81","017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);017 A 202 ( 4.6A);None;017 A 202 (-4.0A)","0.99A","3ekxA-3u7sA:19.6","3ekxA-3u7sA:78.79"],["3EKX_B_1UNB201_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;THR A  80","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);None","0.49A","3ekxA-3u7sA:19.6","3ekxA-3u7sA:78.79"],["3EKX_B_1UNB201_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;THR A  80;PRO A  81","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);None;017 A 202 (-4.0A)","0.44A","3ekxA-3u7sA:19.6","3ekxA-3u7sA:78.79"],["3EKX_B_1UNB201_1","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;THR A  80;PRO A  81","None","0.68A","3ekxA-3uhlA:15.8","3ekxA-3uhlA:78.79"],["3EKX_B_1UNB201_1","4ao7","unidentified","ESTERASE","PF12146(Hydrolase_4)",5,"ALA A 125;VAL A  31;ILE A 119;PRO A  82;ILE A  79","None","0.87A","3ekxA-4ao7A:undetectable","3ekxA-4ao7A:19.21"],["3EKX_B_1UNB201_1","4c3y","Rhodococcus erythropolis","3-KETOSTEROID DEHYDROGENASE","PF00890(FAD_binding_2)",6,"GLY A 459;ALA A 504;ASP A 507;VAL A  10;GLY A 471;ILE A 469","None","1.47A","3ekxA-4c3yA:undetectable","3ekxA-4c3yA:12.43"],["3EKX_B_1UNB201_1","4din","Homo sapiens","CAMP-DEPENDENT PROTEIN KINASE TYPE I-BETA REGULATORY SUBUNIT","PF00027(cNMP_binding);PF02197(RIIa)",5,"GLY B 199;VAL B 162;GLY B 223;ILE B 224;ILE B 163","None","0.88A","3ekxA-4dinB:undetectable","3ekxA-4dinB:13.76"],["3EKX_B_1UNB201_1","4e4j","Mycoplasma penetrans","ARGININE DEIMINASE","PF02274(Amidinotransf)",5,"GLY A 378;ALA A 379;ILE A 372;THR A 388;ILE A 384","None","0.81A","3ekxA-4e4jA:undetectable","3ekxA-4e4jA:11.29"],["3EKX_B_1UNB201_1","4hoz","Erwinia rhapontici","SUCROSE ISOMERASE","PF00128(Alpha-amylase);PF16657(Malt_amylase_C)",5,"GLY A  86;ASP A  88;ILE A 511;THR A 396;ILE A 405","None","0.95A","3ekxA-4hozA:undetectable","3ekxA-4hozA:10.38"],["3EKX_B_1UNB201_1","4iqy","Homo sapiens","O-ACETYL-ADP-RIBOSE DEACETYLASE MACROD2","PF01661(Macro)",5,"GLY A 191;ALA A 149;GLY A 146;ILE A 185;ILE A 153","None","0.87A","3ekxA-4iqyA:undetectable","3ekxA-4iqyA:19.07"],["3EKX_B_1UNB201_1","4jc5","Mus musculus","TRANSMEMBRANE PROTEIN 173","PF15009(TMEM173)",5,"GLY A 233;GLY A 165;ILE A 164;PRO A 172;ILE A 229","None","0.94A","3ekxA-4jc5A:undetectable","3ekxA-4jc5A:18.59"],["3EKX_B_1UNB201_1","4kpn","Physcomitrella patens","NUCLEOSIDE N-RIBOHYDROLASE 1","PF01156(IU_nuc_hydro)",5,"GLY A  27;ASP A  29;GLY A 142;ILE A  51;ILE A  34","None; CA A 400 ( 4.5A); CA A 400 ( 4.4A);None;None","0.88A","3ekxA-4kpnA:undetectable","3ekxA-4kpnA:19.33"],["3EKX_B_1UNB201_1","4kpo","Zea mays","NUCLEOSIDE N-RIBOHYDROLASE 3","PF01156(IU_nuc_hydro)",5,"GLY A  10;ASP A  12;GLY A 124;ILE A  34;ILE A  17","None; CA A 401 ( 4.8A); CA A 401 ( 4.3A);None;None","0.84A","3ekxA-4kpoA:undetectable","3ekxA-4kpoA:16.39"],["3EKX_B_1UNB201_1","4ml9","Sebaldella termitidis","UNCHARACTERIZED PROTEIN","PF00977(His_biosynth)",5,"GLY A 132;ALA A 133;ASP A 134;PRO A 109;ILE A 128","None","0.96A","3ekxA-4ml9A:undetectable","3ekxA-4ml9A:19.08"],["3EKX_B_1UNB201_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",8,"ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48;THR A  80;PRO A  81;ILE A  84","RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 (-4.8A);None;RIT A 500 (-3.9A);RIT A 500 (-4.3A)","0.73A","3ekxA-4njvA:20.1","3ekxA-4njvA:85.86"],["3EKX_B_1UNB201_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;THR A  80;PRO A  81;ILE A  84","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;None;RIT A 500 (-3.9A);RIT A 500 (-4.3A)","0.50A","3ekxA-4njvA:20.1","3ekxA-4njvA:85.86"],["3EKX_B_1UNB201_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;ILE A  50;THR A  80;PRO A  81;ILE A  84","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);None;RIT A 500 (-3.9A);RIT A 500 (-4.3A)","0.53A","3ekxA-4njvA:20.1","3ekxA-4njvA:85.86"],["3EKX_B_1UNB201_1","4tqk","Agrocybe aegerita","LECTIN 2","PF13517(VCBS)",5,"ASP A 345;GLY A 350;ASP A 290;VAL A 343;GLY A 371","None","0.85A","3ekxA-4tqkA:undetectable","3ekxA-4tqkA:13.98"],["3EKX_B_1UNB201_1","4xib","Homo sapiens","E3 UBIQUITIN-PROTEIN LIGASE MIB1","PF00569(ZZ);PF06701(MIB_HERC2)",5,"GLY A 154;ALA A 155;ASP A 220;GLY A 223;ILE A 151","None","0.95A","3ekxA-4xibA:undetectable","3ekxA-4xibA:13.44"],["3EKX_B_1UNB201_1","4xr9","Micromonospora echinospora","CALS8","PF00984(UDPG_MGDP_dh);PF03720(UDPG_MGDP_dh_C);PF03721(UDPG_MGDP_dh_N)",5,"ASP A 248;VAL A 249;GLY A 452;ILE A 451;ILE A 250","None","0.81A","3ekxA-4xr9A:undetectable","3ekxA-4xr9A:13.83"],["3EKX_B_1UNB201_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",7,"ASP A  32;GLY A  34;ALA A  35;ASP A  36;VAL A  39;GLY A  58;ILE A 100","4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);None;4B1 A 201 (-3.4A);4B1 A 201 (-4.8A)","0.58A","3ekxA-4ydfA:13.0","3ekxA-4ydfA:31.62"],["3EKX_B_1UNB201_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  30;THR A  80;PRO A  81;ILE A  84","None","0.69A","3ekxA-5b18A:17.7","3ekxA-5b18A:75.76"],["3EKX_B_1UNB201_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  84","None","0.83A","3ekxA-5b18A:17.7","3ekxA-5b18A:75.76"],["3EKX_B_1UNB201_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;THR A  80;ILE A  84","None","0.52A","3ekxA-5b18A:17.7","3ekxA-5b18A:75.76"],["3EKX_B_1UNB201_1","5d88","Methanopyrus kandleri","PREDICTED PROTEASE OF THE COLLAGENASE FAMILY","PF01136(Peptidase_U32)",5,"GLY A  70;ALA A  69;ASP A 102;GLY A  78;THR A  85"," ZN A 301 ( 4.3A);None;None;None;None","0.93A","3ekxA-5d88A:undetectable","3ekxA-5d88A:17.08"],["3EKX_B_1UNB201_1","5g5g","Escherichia coli","PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT","PF00111(Fer2);PF01799(Fer2_2)",5,"GLY A 211;ALA A 212;ASP A 154;GLY A 159;ILE A 216","None;None;None;FES A 230 (-4.2A);None","0.82A","3ekxA-5g5gA:undetectable","3ekxA-5g5gA:23.91"],["3EKX_B_1UNB201_1","5hsi","Lactobacillus brevis","PUTATIVE DECARBOXYLASE","PF00282(Pyridoxal_deC)",5,"GLY A 333;ALA A 329;ASP A 328;GLY A 402;ILE A 386","None","0.96A","3ekxA-5hsiA:undetectable","3ekxA-5hsiA:11.04"],["3EKX_B_1UNB201_1","5lgc","Arthrobacter sp. AW19M34-1","ARCE4A","PF01522(Polysacc_deac_1)",5,"GLY A 194;ASP A 192;VAL A 187;THR A  51;PRO A  52","None","0.88A","3ekxA-5lgcA:undetectable","3ekxA-5lgcA:18.87"],["3EKX_B_1UNB201_1","5opf","Micromonospora aurantiaca","CHITIN-BINDING DOMAIN 3 PROTEIN","no annotation",5,"GLY A 145;ALA A 146;ASP A 147;THR A 210;ILE A 149","None","0.90A","3ekxA-5opfA:undetectable","3ekxA-5opfA:18.37"],["3EKX_B_1UNB201_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;THR A  80;ILE A  84","None","0.59A","3ekxA-5t2zA:19.7","3ekxA-5t2zA:78.79"],["3EKX_B_1UNB201_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;THR A  80;PRO A  81;ILE A  84","None","0.57A","3ekxA-5t2zA:19.7","3ekxA-5t2zA:78.79"],["3EKX_B_1UNB201_1","5ufm","Burkholderia thailandensis","METHYLTRANSFERASE DOMAIN PROTEIN","no annotation",5,"ASP A  95;GLY A  76;ASP A  72;VAL A 120;GLY A 136","SAH A 301 (-2.7A);SAH A 301 (-3.6A);None;SAH A 301 (-4.1A);AZ8 A 302 ( 3.5A)","0.84A","3ekxA-5ufmA:undetectable","3ekxA-5ufmA:16.67"],["3EKX_B_1UNB201_1","6c2h","Saccharomyces cerevisiae","CYSTATHIONINE BETA-SYNTHASE","no annotation",5,"ALA A 166;GLY A 203;ILE A 204;THR A 197;ILE A  56","PGE A 409 ( 4.3A);None;None;PLP A 401 (-2.9A);None","0.93A","3ekxA-6c2hA:undetectable","3ekxA-6c2hA:20.39"],["3EKX_B_1UNB201_1","6f9n","Homo sapiens","CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 1;PRE-MRNA 3' END PROCESSING PROTEIN WDR33","no annotation",5,"ASP B  58;VAL B  63;GLY A1187;ILE A1186;ILE B  64","None","0.96A","3ekxA-6f9nB:undetectable","3ekxA-6f9nB:19.00"],["3EKX_B_1UNB201_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",5,"ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58","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)","0.18A","3ekxA-6fivA:15.3","3ekxA-6fivA:29.57"],["3EKX_B_1UNB201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81","NIU A 100 (-3.6A);None;None;None;None;None","0.86A","3ekxA-6upjA:17.7","3ekxA-6upjA:49.49"],["3EKX_B_1UNB201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;THR A  80;ILE A  84","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);None;None","0.65A","3ekxA-6upjA:17.7","3ekxA-6upjA:49.49"],["3EKX_B_1UNB201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;THR A  80;PRO A  81;ILE A  84","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;None;None;None","0.52A","3ekxA-6upjA:17.7","3ekxA-6upjA:49.49"],["3EKX_B_1UNB201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"GLY A  27;ASP A  29;ASP A  30;GLY A  49;ILE A  50;THR A  80","NIU A 100 (-4.5A);None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.86A","3ekxA-6upjA:17.7","3ekxA-6upjA:49.49"],["3EKX_B_1UNB201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"GLY A  27;ASP A  29;ASP A  30;ILE A  50;THR A  80;PRO A  81","NIU A 100 (-4.5A);None;None;NIU A 100 (-3.9A);None;None","0.82A","3ekxA-6upjA:17.7","3ekxA-6upjA:49.49"]]