SIMILAR PATTERNS OF AMINO ACIDS FOR 3PWM_B_017B402_2

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)

Filter list by:

	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.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	ASP E 215 GLY E 217 VAL E 222 GLY E 76 ILE E 300	None	0.74A	3pwmB-1cziE: 6.7	3pwmB-1cziE: 17.07
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.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	LEU E 30 ASP E 32 GLY E 34 ASP E 37 ILE E 120	None	0.58A	3pwmB-1cziE: 6.7	3pwmB-1cziE: 17.07
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.	1fob	BETA-1,4-GALACTANASE (Aspergillus aculeatus)	PF07745 (Glyco_hydro_53)	5	GLY A 40 ALA A 39 ASP A 38 PRO A 299 ILE A 328	None	0.79A	3pwmB-1fobA: undetectable	3pwmB-1fobA: 13.69
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.	1fob	BETA-1,4-GALACTANASE (Aspergillus aculeatus)	PF07745 (Glyco_hydro_53)	5	GLY A 40 ASP A 38 ILE A 44 PRO A 299 ILE A 328	None	0.91A	3pwmB-1fobA: undetectable	3pwmB-1fobA: 13.69
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 GLY A 48 VAL A 82 ILE A 84	A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-4.1A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.68A	3pwmB-1hvcA: 13.9	3pwmB-1hvcA: 46.31
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)	0.79A	3pwmB-1hvcA: 13.9	3pwmB-1hvcA: 46.31
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)	7	ASP A 29 ASP A 30 VAL A 32 GLY A 49 PRO A 81 VAL A 82 ILE A 84	A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 ( 4.3A) A79 A 800 (-3.4A) A79 A 800 ( 3.4A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.60A	3pwmB-1hvcA: 13.9	3pwmB-1hvcA: 46.31
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	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 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 (-3.8A) A79 A 800 (-4.5A) A79 A 800 (-3.6A)	0.44A	3pwmB-1hvcA: 13.9	3pwmB-1hvcA: 46.31
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	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 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 ( 4.0A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.47A	3pwmB-1hvcA: 13.9	3pwmB-1hvcA: 46.31
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.	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	3pwmB-1kaeA: undetectable	3pwmB-1kaeA: 11.60
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.	1l3i	PRECORRIN-6Y METHYLTRANSFERASE/PU TATIVE DECARBOXYLASE (Methanothermobacter thermautotrophicus)	PF13847 (Methyltransf_31)	5	LEU A 136 GLY A 108 VAL A 179 GLY A 15 ILE A 135	None SAH A 801 (-3.4A) None SAH A 801 ( 3.8A) None	0.90A	3pwmB-1l3iA: undetectable	3pwmB-1l3iA: 20.62
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.	1mew	INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE (Tritrichomonas suis)	PF00478 (IMPDH) PF00571 (CBS)	5	GLY A 288 ASP A 261 GLY A 235 VAL A 247 ILE A 238	None NAD A 987 (-2.5A) None None None	0.98A	3pwmB-1mewA: undetectable	3pwmB-1mewA: 12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1prs	DEVELOPMENT-SPECIFIC PROTEIN S (Myxococcus xanthus)	PF00030 (Crystall)	5	LEU A 19 GLY A 22 VAL A 44 VAL A 6 ILE A 4	None	0.94A	3pwmB-1prsA: undetectable	3pwmB-1prsA: 23.39
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	0.57A	3pwmB-1q9pA: 10.1	3pwmB-1q9pA: 98.95
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	0.95A	3pwmB-1rcqA: undetectable	3pwmB-1rcqA: 15.36
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	0.44A	3pwmB-1sivA: 18.5	3pwmB-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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 PRO A 81 ILE A 84	None	0.51A	3pwmB-1sivA: 18.5	3pwmB-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.	1tjr	BX1 (Zea mays)	PF00290 (Trp_syntA)	5	GLY A 307 ALA A 308 ASP A 309 VAL A 269 ILE A 303	None	0.78A	3pwmB-1tjrA: undetectable	3pwmB-1tjrA: 19.18
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.	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	0.96A	3pwmB-1u2eA: undetectable	3pwmB-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	0.94A	3pwmB-1v5fA: undetectable	3pwmB-1v5fA: 11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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)	0.90A	3pwmB-1wsvA: undetectable	3pwmB-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.	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	3pwmB-1yg0A: undetectable	3pwmB-1yg0A: 22.33
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.	2e4u	METABOTROPIC GLUTAMATE RECEPTOR 3 (Rattus norvegicus)	PF01094 (ANF_receptor) PF07562 (NCD3G)	5	LEU A 86 GLY A 92 ASP A 77 ILE A 146 ILE A 79	None	0.89A	3pwmB-2e4uA: undetectable	3pwmB-2e4uA: 11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2ewn	BIRA BIFUNCTIONAL PROTEIN (Escherichia coli)	PF02237 (BPL_C) PF03099 (BPL_LplA_LipB) PF08279 (HTH_11)	5	GLY A 186 ALA A 185 GLY A 154 ILE A 153 ILE A 207	BTX A 501 (-3.3A) None None None None	0.78A	3pwmB-2ewnA: undetectable	3pwmB-2ewnA: 16.56
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)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 55 PRO A 86 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 (-3.9A) LP1 A 201 ( 4.9A) LP1 A 201 (-4.2A)	0.48A	3pwmB-2fmbA: 15.1	3pwmB-2fmbA: 33.02
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.	2g28	PYRUVATE DEHYDROGENASE E1 COMPONENT (Escherichia coli)	PF00456 (Transketolase_N)	5	GLY A 573 ALA A 574 PRO A 594 VAL A 516 ILE A 518	None	0.84A	3pwmB-2g28A: undetectable	3pwmB-2g28A: 8.21
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.	2g28	PYRUVATE DEHYDROGENASE E1 COMPONENT (Escherichia coli)	PF00456 (Transketolase_N)	5	LEU A 565 GLY A 573 PRO A 594 VAL A 516 ILE A 518	None	0.87A	3pwmB-2g28A: undetectable	3pwmB-2g28A: 8.21
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.	2gzl	2-C-METHYL-D-ERYTHRI TOL 2,4-CYCLODIPHOSPHATE SYNTHASE (Escherichia coli)	PF02542 (YgbB)	5	GLY A 37 ASP A 8 GLY A 145 PRO A 103 ILE A 20	None ZN A 900 ( 2.4A) None None None	0.88A	3pwmB-2gzlA: undetectable	3pwmB-2gzlA: 19.88
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.	2ph3	3-OXOACYL-[ACYL CARRIER PROTEIN] REDUCTASE (Thermus thermophilus)	PF13561 (adh_short_C2)	5	LEU A 28 GLY A 14 ALA A 9 VAL A 54 ILE A 30	None	0.97A	3pwmB-2ph3A: undetectable	3pwmB-2ph3A: 17.57
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)	8	GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81 ILE A 84	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) AB1 A 501 ( 4.2A)	0.52A	3pwmB-2rkfA: 20.4	3pwmB-2rkfA: 81.82
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)	0.41A	3pwmB-2rkfA: 20.4	3pwmB-2rkfA: 81.82
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	0.44A	3pwmB-2rspA: 12.7	3pwmB-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.	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	0.80A	3pwmB-2wskA: undetectable	3pwmB-2wskA: 8.85
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.	2y23	MYOMESIN (Homo sapiens)	PF07679 (I-set)	5	ASP A1401 GLY A1409 ILE A1410 VAL A1428 ILE A1389	None	0.84A	3pwmB-2y23A: undetectable	3pwmB-2y23A: 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.	3d1r	FRUCTOSE-1,6-BISPHOS PHATASE CLASS II GLPX (Escherichia coli)	PF03320 (FBPase_glpX)	5	LEU A 66 VAL A 54 ILE A 49 VAL A 84 ILE A 53	None	0.84A	3pwmB-3d1rA: undetectable	3pwmB-3d1rA: 14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3egj	N-ACETYLGLUCOSAMINE- 6-PHOSPHATE DEACETYLASE (Vibrio cholerae)	PF01979 (Amidohydro_1)	5	LEU A 181 ASP A 161 GLY A 124 VAL A 188 ILE A 186	None	0.97A	3pwmB-3egjA: undetectable	3pwmB-3egjA: 14.88
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.	3gve	YFKN PROTEIN (Bacillus subtilis)	PF00149 (Metallophos)	5	GLY A 121 ALA A 122 ASP A 123 ILE A 89 ILE A 126	None	0.60A	3pwmB-3gveA: undetectable	3pwmB-3gveA: 14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.87A	3pwmB-3hdyA: undetectable	3pwmB-3hdyA: 13.35
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.	3kl7	PUTATIVE METAL-DEPENDENT HYDROLASE (Parabacteroides distasonis)	PF13483 (Lactamase_B_3)	5	LEU A 156 GLY A 153 ASP A 120 ILE A 77 ILE A 130	None	0.84A	3pwmB-3kl7A: undetectable	3pwmB-3kl7A: 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.	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	0.94A	3pwmB-3kyhA: undetectable	3pwmB-3kyhA: 15.61
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.	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	0.97A	3pwmB-3mdoA: undetectable	3pwmB-3mdoA: 14.40
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)	5	ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 48	None	0.69A	3pwmB-3mwsA: 19.7	3pwmB-3mwsA: 78.79
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)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.27A	3pwmB-3mwsA: 19.7	3pwmB-3mwsA: 78.79
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	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	0.46A	3pwmB-3mwsA: 19.7	3pwmB-3mwsA: 78.79
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	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	0.44A	3pwmB-3mwsA: 19.7	3pwmB-3mwsA: 78.79
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	LEU A 23 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 ILE A 50 PRO A 81 VAL A 82 ILE A 84	None	0.54A	3pwmB-3mwsA: 19.7	3pwmB-3mwsA: 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.	3o38	SHORT CHAIN DEHYDROGENASE (Mycolicibacterium smegmatis)	PF13561 (adh_short_C2)	5	GLY A 32 ALA A 26 ASP A 50 VAL A 71 ILE A 48	None	0.97A	3pwmB-3o38A: undetectable	3pwmB-3o38A: 17.14
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.	3o8l	6-PHOSPHOFRUCTOKINAS E, MUSCLE TYPE (Oryctolagus cuniculus)	PF00365 (PFK)	5	GLY A 224 ALA A 225 ILE A 192 VAL A 207 ILE A 261	PO4 A 767 ( 4.6A) None None None None	0.90A	3pwmB-3o8lA: undetectable	3pwmB-3o8lA: 9.13
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.	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	0.81A	3pwmB-3opyA: undetectable	3pwmB-3opyA: 7.92
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.	3opy	6-PHOSPHOFRUCTO-1-KI NASE ALPHA-SUBUNIT (Komagataella pastoris)	PF00365 (PFK)	5	GLY A 419 ALA A 420 ILE A 387 VAL A 402 ILE A 457	None	0.97A	3pwmB-3opyA: undetectable	3pwmB-3opyA: 7.92
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.	3oyo	HEMOPEXIN FOLD PROTEIN CP4 (Vigna unguiculata)	PF00045 (Hemopexin)	5	LEU A 150 VAL A 132 ILE A 104 VAL A 141 ILE A 143	None	0.94A	3pwmB-3oyoA: undetectable	3pwmB-3oyoA: 18.47
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.	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)	0.47A	3pwmB-3slzA: 11.3	3pwmB-3slzA: 25.93
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.	3t2y	SULFIDE-QUINONE REDUCTASE, PUTATIVE (Acidithiobacillus ferrooxidans)	PF07992 (Pyr_redox_2)	5	LEU A 7 GLY A 106 ALA A 303 GLY A 281 ILE A 103	FAD A 500 (-4.7A) FAD A 500 (-3.1A) None None None	0.71A	3pwmB-3t2yA: undetectable	3pwmB-3t2yA: 12.41
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	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 PRO A 81	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) None	0.42A	3pwmB-3t3cA: 18.3	3pwmB-3t3cA: 73.74
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	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-3.0A) 017 A 201 (-3.3A)	1.24A	3pwmB-3ttpA: 19.4	3pwmB-3ttpA: 75.76
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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 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 (-3.3A) 017 A 201 (-4.7A)	0.32A	3pwmB-3ttpA: 19.4	3pwmB-3ttpA: 75.76
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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 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 (-3.0A) 017 A 201 (-3.3A) 017 A 201 (-4.7A)	0.22A	3pwmB-3ttpA: 19.4	3pwmB-3ttpA: 75.76
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)	7	LEU A 23 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 PRO A 81	None 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) 017 A 201 (-4.1A)	0.43A	3pwmB-3ttpA: 19.4	3pwmB-3ttpA: 75.76
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)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50 PRO A 81	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) 017 A 202 (-4.0A)	1.29A	3pwmB-3u7sA: 19.7	3pwmB-3u7sA: 75.76
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)	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 PRO A 81	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) 017 A 202 (-4.0A)	0.36A	3pwmB-3u7sA: 19.7	3pwmB-3u7sA: 75.76
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)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 PRO A 81 VAL A 82	None	0.33A	3pwmB-3uhlA: 16.0	3pwmB-3uhlA: 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.	4b2o	YMDB PHOSPHODIESTERASE (Bacillus subtilis)	PF13277 (YmdB)	5	GLY A 59 ALA A 60 ASP A 61 VAL A 9 ILE A 36	None	0.87A	3pwmB-4b2oA: undetectable	3pwmB-4b2oA: 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.	4emw	COENZYME A DISULFIDE REDUCTASE (Staphylococcus aureus)	PF02852 (Pyr_redox_dim) PF07992 (Pyr_redox_2)	5	LEU A 109 GLY A 8 GLY A 276 ILE A 278 ILE A 110	None FAD A 501 (-3.1A) FAD A 501 (-3.2A) None None	0.96A	3pwmB-4emwA: undetectable	3pwmB-4emwA: 13.46
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.	4g6c	BETA-HEXOSAMINIDASE 1 (Burkholderia cenocepacia)	PF00933 (Glyco_hydro_3)	5	ASP A 128 GLY A 174 VAL A 136 ILE A 215 ILE A 137	None	0.90A	3pwmB-4g6cA: undetectable	3pwmB-4g6cA: 15.18
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	0.81A	3pwmB-4idaA: undetectable	3pwmB-4idaA: 17.76
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.	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	0.90A	3pwmB-4injA: undetectable	3pwmB-4injA: 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.	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	0.97A	3pwmB-4lomA: undetectable	3pwmB-4lomA: 19.35
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.	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	0.97A	3pwmB-4m2jA: undetectable	3pwmB-4m2jA: 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.	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	0.93A	3pwmB-4na3A: undetectable	3pwmB-4na3A: 10.47
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)	0.75A	3pwmB-4njvA: 20.0	3pwmB-4njvA: 83.84
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)	0.47A	3pwmB-4njvA: 20.0	3pwmB-4njvA: 83.84
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)	0.39A	3pwmB-4njvA: 20.0	3pwmB-4njvA: 83.84
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.	4oh1	L-IDITOL 2-DEHYDROGENASE ([Clostridium] scindens)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 247 ASP A 204 VAL A 202 GLY A 183 ILE A 178	None	0.92A	3pwmB-4oh1A: undetectable	3pwmB-4oh1A: 13.65
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.	4oy7	PUTATIVE SECRETED CELLULOSE BINDING PROTEIN (Streptomyces coelicolor)	PF03067 (LPMO_10)	5	LEU A 194 GLY A 131 ALA A 132 PRO A 41 ILE A 134	None	0.84A	3pwmB-4oy7A: undetectable	3pwmB-4oy7A: 16.76
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.	4pu6	L-ASPARAGINASE ALPHA SUBUNIT (Phaseolus vulgaris)	PF01112 (Asparaginase_2)	5	GLY A 93 ALA A 108 ILE A 48 VAL A 55 ILE A 105	None	0.96A	3pwmB-4pu6A: undetectable	3pwmB-4pu6A: 21.21
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.	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	0.75A	3pwmB-4pyrA: undetectable	3pwmB-4pyrA: 15.51
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.	4qi4	CELLOBIOSE DEHYDROGENASE (Crassicarpon hotsonii)	PF00732 (GMC_oxred_N) PF00734 (CBM_1) PF05199 (GMC_oxred_C)	5	LEU A 489 GLY A 481 ALA A 480 ILE A 477 ILE A 488	None FAD A 901 (-3.6A) FAD A 901 (-3.5A) None None	0.97A	3pwmB-4qi4A: undetectable	3pwmB-4qi4A: 9.51
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.	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 VAL A 207	None	0.88A	3pwmB-4xibA: undetectable	3pwmB-4xibA: 13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4xq6	DIHYDROOROTATE DEHYDROGENASE (QUINONE) (Mycobacterium tuberculosis)	PF01180 (DHO_dh)	5	GLY A 63 GLY A 141 ILE A 88 PRO A 136 ILE A 138	None	0.86A	3pwmB-4xq6A: undetectable	3pwmB-4xq6A: 14.11
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)	0.48A	3pwmB-4ydfA: 12.5	3pwmB-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)	0.46A	3pwmB-4ydfA: 12.5	3pwmB-4ydfA: 32.17
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	0.76A	3pwmB-5b18A: 18.0	3pwmB-5b18A: 72.73
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 PRO A 81 ILE A 84	None	0.36A	3pwmB-5b18A: 18.0	3pwmB-5b18A: 72.73
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.	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	0.86A	3pwmB-5cw2C: undetectable	3pwmB-5cw2C: 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.	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	0.95A	3pwmB-5cw5A: undetectable	3pwmB-5cw5A: 15.69
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.	5cww	NUCLEOPORIN NUP82 (Chaetomium thermophilum)	no annotation	5	ASP B 442 GLY B 445 GLY B 266 PRO B 260 VAL B 394	None	0.87A	3pwmB-5cwwB: undetectable	3pwmB-5cwwB: 10.70
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.	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	0.93A	3pwmB-5h1kA: undetectable	3pwmB-5h1kA: 8.45
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.	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	0.91A	3pwmB-5hs0A: undetectable	3pwmB-5hs0A: 19.64
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.	5kzn	METABOTROPIC GLUTAMATE RECEPTOR 2 (Homo sapiens)	PF01094 (ANF_receptor) PF07562 (NCD3G)	5	LEU A 79 GLY A 85 ASP A 70 ILE A 140 ILE A 72	None	0.92A	3pwmB-5kznA: undetectable	3pwmB-5kznA: 11.37
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)	6	GLY A 27 ASP A 29 VAL A 32 GLY A 49 ILE A 50 PRO A 81	None	0.52A	3pwmB-5t2zA: 20.2	3pwmB-5t2zA: 79.80
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)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.26A	3pwmB-5t2zA: 20.2	3pwmB-5t2zA: 79.80
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	0.32A	3pwmB-5t2zA: 20.2	3pwmB-5t2zA: 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.	5uib	OXIDOREDUCTASE PROTEIN (Agrobacterium tumefaciens)	PF01408 (GFO_IDH_MocA)	5	GLY A 250 VAL A 265 GLY A 143 VAL A 136 ILE A 255	None	0.90A	3pwmB-5uibA: undetectable	3pwmB-5uibA: 17.10
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	0.93A	3pwmB-5ve3B: undetectable	3pwmB-5ve3B: 14.25
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.	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	0.82A	3pwmB-5vm2A: undetectable	3pwmB-5vm2A: 17.07
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.	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	0.92A	3pwmB-5xj1A: undetectable	3pwmB-5xj1A: 14.75
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.	5yzc	GLYCOPROTEIN F1,MEASLES VIRUS FUSION PROTEIN GLYCOPROTEIN F2 (Measles morbillivirus)	no annotation	5	LEU A 84 GLY B 218 ILE B 229 VAL B 272 ILE A 87	None	0.98A	3pwmB-5yzcA: undetectable	3pwmB-5yzcA: 20.20
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)	7	LEU A 28 ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58 VAL A 99	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) None	0.48A	3pwmB-6fivA: 15.7	3pwmB-6fivA: 30.58
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 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 84	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	3pwmB-6upjA: 17.6	3pwmB-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	0.71A	3pwmB-6upjA: 17.6	3pwmB-6upjA: 49.49

[["3PWM_B_017B402_2","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"ASP E 215;GLY E 217;VAL E 222;GLY E  76;ILE E 300","None","0.74A","3pwmB-1cziE:6.7","3pwmB-1cziE:17.07"],["3PWM_B_017B402_2","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"LEU E  30;ASP E  32;GLY E  34;ASP E  37;ILE E 120","None","0.58A","3pwmB-1cziE:6.7","3pwmB-1cziE:17.07"],["3PWM_B_017B402_2","1fob","Aspergillus aculeatus","BETA-1,4-GALACTANASE","PF07745(Glyco_hydro_53)",5,"GLY A  40;ALA A  39;ASP A  38;PRO A 299;ILE A 328","None","0.79A","3pwmB-1fobA:undetectable","3pwmB-1fobA:13.69"],["3PWM_B_017B402_2","1fob","Aspergillus aculeatus","BETA-1,4-GALACTANASE","PF07745(Glyco_hydro_53)",5,"GLY A  40;ASP A  38;ILE A  44;PRO A 299;ILE A 328","None","0.91A","3pwmB-1fobA:undetectable","3pwmB-1fobA:13.69"],["3PWM_B_017B402_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;GLY A  48;VAL A  82;ILE A  84","A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-4.1A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.68A","3pwmB-1hvcA:13.9","3pwmB-1hvcA:46.31"],["3PWM_B_017B402_2","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)","0.79A","3pwmB-1hvcA:13.9","3pwmB-1hvcA:46.31"],["3PWM_B_017B402_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ASP A  29;ASP A  30;VAL A  32;GLY A  49;PRO A  81;VAL A  82;ILE A  84","A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 ( 4.3A);A79 A 800 (-3.4A);A79 A 800 ( 3.4A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.60A","3pwmB-1hvcA:13.9","3pwmB-1hvcA:46.31"],["3PWM_B_017B402_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"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;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 (-3.8A);A79 A 800 (-4.5A);A79 A 800 (-3.6A)","0.44A","3pwmB-1hvcA:13.9","3pwmB-1hvcA:46.31"],["3PWM_B_017B402_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"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;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 ( 4.0A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.47A","3pwmB-1hvcA:13.9","3pwmB-1hvcA:46.31"],["3PWM_B_017B402_2","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","3pwmB-1kaeA:undetectable","3pwmB-1kaeA:11.60"],["3PWM_B_017B402_2","1l3i","Methanothermobacter thermautotrophicus","PRECORRIN-6Y METHYLTRANSFERASE\/PUTATIVE DECARBOXYLASE","PF13847(Methyltransf_31)",5,"LEU A 136;GLY A 108;VAL A 179;GLY A  15;ILE A 135","None;SAH A 801 (-3.4A);None;SAH A 801 ( 3.8A);None","0.90A","3pwmB-1l3iA:undetectable","3pwmB-1l3iA:20.62"],["3PWM_B_017B402_2","1mew","Tritrichomonas suis","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE","PF00478(IMPDH);PF00571(CBS)",5,"GLY A 288;ASP A 261;GLY A 235;VAL A 247;ILE A 238","None;NAD A 987 (-2.5A);None;None;None","0.98A","3pwmB-1mewA:undetectable","3pwmB-1mewA:12.40"],["3PWM_B_017B402_2","1prs","Myxococcus xanthus","DEVELOPMENT-SPECIFIC PROTEIN S","PF00030(Crystall)",5,"LEU A  19;GLY A  22;VAL A  44;VAL A   6;ILE A   4","None","0.94A","3pwmB-1prsA:undetectable","3pwmB-1prsA:23.39"],["3PWM_B_017B402_2","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","0.57A","3pwmB-1q9pA:10.1","3pwmB-1q9pA:98.95"],["3PWM_B_017B402_2","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","0.95A","3pwmB-1rcqA:undetectable","3pwmB-1rcqA:15.36"],["3PWM_B_017B402_2","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","0.44A","3pwmB-1sivA:18.5","3pwmB-1sivA:51.96"],["3PWM_B_017B402_2","1siv","Simian immunodeficiency virus","SIV 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;PRO A  81;ILE A  84","None","0.51A","3pwmB-1sivA:18.5","3pwmB-1sivA:51.96"],["3PWM_B_017B402_2","1tjr","Zea mays","BX1","PF00290(Trp_syntA)",5,"GLY A 307;ALA A 308;ASP A 309;VAL A 269;ILE A 303","None","0.78A","3pwmB-1tjrA:undetectable","3pwmB-1tjrA:19.18"],["3PWM_B_017B402_2","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","0.96A","3pwmB-1u2eA:undetectable","3pwmB-1u2eA:20.00"],["3PWM_B_017B402_2","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","0.94A","3pwmB-1v5fA:undetectable","3pwmB-1v5fA:11.15"],["3PWM_B_017B402_2","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)","0.90A","3pwmB-1wsvA:undetectable","3pwmB-1wsvA:14.93"],["3PWM_B_017B402_2","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","3pwmB-1yg0A:undetectable","3pwmB-1yg0A:22.33"],["3PWM_B_017B402_2","2e4u","Rattus norvegicus","METABOTROPIC GLUTAMATE RECEPTOR 3","PF01094(ANF_receptor);PF07562(NCD3G)",5,"LEU A  86;GLY A  92;ASP A  77;ILE A 146;ILE A  79","None","0.89A","3pwmB-2e4uA:undetectable","3pwmB-2e4uA:11.15"],["3PWM_B_017B402_2","2ewn","Escherichia coli","BIRA BIFUNCTIONAL PROTEIN","PF02237(BPL_C);PF03099(BPL_LplA_LipB);PF08279(HTH_11)",5,"GLY A 186;ALA A 185;GLY A 154;ILE A 153;ILE A 207","BTX A 501 (-3.3A);None;None;None;None","0.78A","3pwmB-2ewnA:undetectable","3pwmB-2ewnA:16.56"],["3PWM_B_017B402_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  55;PRO A  86;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 (-3.9A);LP1 A 201 ( 4.9A);LP1 A 201 (-4.2A)","0.48A","3pwmB-2fmbA:15.1","3pwmB-2fmbA:33.02"],["3PWM_B_017B402_2","2g28","Escherichia coli","PYRUVATE DEHYDROGENASE E1 COMPONENT","PF00456(Transketolase_N)",5,"GLY A 573;ALA A 574;PRO A 594;VAL A 516;ILE A 518","None","0.84A","3pwmB-2g28A:undetectable","3pwmB-2g28A:8.21"],["3PWM_B_017B402_2","2g28","Escherichia coli","PYRUVATE DEHYDROGENASE E1 COMPONENT","PF00456(Transketolase_N)",5,"LEU A 565;GLY A 573;PRO A 594;VAL A 516;ILE A 518","None","0.87A","3pwmB-2g28A:undetectable","3pwmB-2g28A:8.21"],["3PWM_B_017B402_2","2gzl","Escherichia coli","2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE","PF02542(YgbB)",5,"GLY A  37;ASP A   8;GLY A 145;PRO A 103;ILE A  20","None; ZN A 900 ( 2.4A);None;None;None","0.88A","3pwmB-2gzlA:undetectable","3pwmB-2gzlA:19.88"],["3PWM_B_017B402_2","2ph3","Thermus thermophilus","3-OXOACYL-[ACYL CARRIER PROTEIN] REDUCTASE","PF13561(adh_short_C2)",5,"LEU A  28;GLY A  14;ALA A   9;VAL A  54;ILE A  30","None","0.97A","3pwmB-2ph3A:undetectable","3pwmB-2ph3A:17.57"],["3PWM_B_017B402_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",8,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81;ILE A  84","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);AB1 A 501 ( 4.2A)","0.52A","3pwmB-2rkfA:20.4","3pwmB-2rkfA:81.82"],["3PWM_B_017B402_2","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)","0.41A","3pwmB-2rkfA:20.4","3pwmB-2rkfA:81.82"],["3PWM_B_017B402_2","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","0.44A","3pwmB-2rspA:12.7","3pwmB-2rspA:32.80"],["3PWM_B_017B402_2","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","0.80A","3pwmB-2wskA:undetectable","3pwmB-2wskA:8.85"],["3PWM_B_017B402_2","2y23","Homo sapiens","MYOMESIN","PF07679(I-set)",5,"ASP A1401;GLY A1409;ILE A1410;VAL A1428;ILE A1389","None","0.84A","3pwmB-2y23A:undetectable","3pwmB-2y23A:18.18"],["3PWM_B_017B402_2","3d1r","Escherichia coli","FRUCTOSE-1,6-BISPHOSPHATASE CLASS II GLPX","PF03320(FBPase_glpX)",5,"LEU A  66;VAL A  54;ILE A  49;VAL A  84;ILE A  53","None","0.84A","3pwmB-3d1rA:undetectable","3pwmB-3d1rA:14.37"],["3PWM_B_017B402_2","3egj","Vibrio cholerae","N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE","PF01979(Amidohydro_1)",5,"LEU A 181;ASP A 161;GLY A 124;VAL A 188;ILE A 186","None","0.97A","3pwmB-3egjA:undetectable","3pwmB-3egjA:14.88"],["3PWM_B_017B402_2","3gve","Bacillus subtilis","YFKN PROTEIN","PF00149(Metallophos)",5,"GLY A 121;ALA A 122;ASP A 123;ILE A  89;ILE A 126","None","0.60A","3pwmB-3gveA:undetectable","3pwmB-3gveA:14.71"],["3PWM_B_017B402_2","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","0.87A","3pwmB-3hdyA:undetectable","3pwmB-3hdyA:13.35"],["3PWM_B_017B402_2","3kl7","Parabacteroides distasonis","PUTATIVE METAL-DEPENDENT HYDROLASE","PF13483(Lactamase_B_3)",5,"LEU A 156;GLY A 153;ASP A 120;ILE A  77;ILE A 130","None","0.84A","3pwmB-3kl7A:undetectable","3pwmB-3kl7A:16.96"],["3PWM_B_017B402_2","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","0.94A","3pwmB-3kyhA:undetectable","3pwmB-3kyhA:15.61"],["3PWM_B_017B402_2","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","0.97A","3pwmB-3mdoA:undetectable","3pwmB-3mdoA:14.40"],["3PWM_B_017B402_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48","None","0.69A","3pwmB-3mwsA:19.7","3pwmB-3mwsA:78.79"],["3PWM_B_017B402_2","3mws","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","None","1.27A","3pwmB-3mwsA:19.7","3pwmB-3mwsA:78.79"],["3PWM_B_017B402_2","3mws","Human immunodeficiency virus 1","HIV-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","0.46A","3pwmB-3mwsA:19.7","3pwmB-3mwsA:78.79"],["3PWM_B_017B402_2","3mws","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;VAL A  32;GLY A  49;ILE A  50;VAL A  82;ILE A  84","None","0.44A","3pwmB-3mwsA:19.7","3pwmB-3mwsA:78.79"],["3PWM_B_017B402_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;ILE A  50;PRO A  81;VAL A  82;ILE A  84","None","0.54A","3pwmB-3mwsA:19.7","3pwmB-3mwsA:78.79"],["3PWM_B_017B402_2","3o38","Mycolicibacterium smegmatis","SHORT CHAIN DEHYDROGENASE","PF13561(adh_short_C2)",5,"GLY A  32;ALA A  26;ASP A  50;VAL A  71;ILE A  48","None","0.97A","3pwmB-3o38A:undetectable","3pwmB-3o38A:17.14"],["3PWM_B_017B402_2","3o8l","Oryctolagus cuniculus","6-PHOSPHOFRUCTOKINASE, MUSCLE TYPE","PF00365(PFK)",5,"GLY A 224;ALA A 225;ILE A 192;VAL A 207;ILE A 261","PO4 A 767 ( 4.6A);None;None;None;None","0.90A","3pwmB-3o8lA:undetectable","3pwmB-3o8lA:9.13"],["3PWM_B_017B402_2","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","0.81A","3pwmB-3opyA:undetectable","3pwmB-3opyA:7.92"],["3PWM_B_017B402_2","3opy","Komagataella pastoris","6-PHOSPHOFRUCTO-1-KINASE ALPHA-SUBUNIT","PF00365(PFK)",5,"GLY A 419;ALA A 420;ILE A 387;VAL A 402;ILE A 457","None","0.97A","3pwmB-3opyA:undetectable","3pwmB-3opyA:7.92"],["3PWM_B_017B402_2","3oyo","Vigna unguiculata","HEMOPEXIN FOLD PROTEIN CP4","PF00045(Hemopexin)",5,"LEU A 150;VAL A 132;ILE A 104;VAL A 141;ILE A 143","None","0.94A","3pwmB-3oyoA:undetectable","3pwmB-3oyoA:18.47"],["3PWM_B_017B402_2","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)","0.47A","3pwmB-3slzA:11.3","3pwmB-3slzA:25.93"],["3PWM_B_017B402_2","3t2y","Acidithiobacillus ferrooxidans","SULFIDE-QUINONE REDUCTASE, PUTATIVE","PF07992(Pyr_redox_2)",5,"LEU A   7;GLY A 106;ALA A 303;GLY A 281;ILE A 103","FAD A 500 (-4.7A);FAD A 500 (-3.1A);None;None;None","0.71A","3pwmB-3t2yA:undetectable","3pwmB-3t2yA:12.41"],["3PWM_B_017B402_2","3t3c","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;PRO A  81","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);None","0.42A","3pwmB-3t3cA:18.3","3pwmB-3t3cA:73.74"],["3PWM_B_017B402_2","3ttp","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","None;017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-3.0A);017 A 201 (-3.3A)","1.24A","3pwmB-3ttpA:19.4","3pwmB-3ttpA:75.76"],["3PWM_B_017B402_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;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 (-3.3A);017 A 201 (-4.7A)","0.32A","3pwmB-3ttpA:19.4","3pwmB-3ttpA:75.76"],["3PWM_B_017B402_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;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 (-3.0A);017 A 201 (-3.3A);017 A 201 (-4.7A)","0.22A","3pwmB-3ttpA:19.4","3pwmB-3ttpA:75.76"],["3PWM_B_017B402_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;PRO A  81","None;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);017 A 201 (-4.1A)","0.43A","3pwmB-3ttpA:19.4","3pwmB-3ttpA:75.76"],["3PWM_B_017B402_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50;PRO A  81","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);017 A 202 (-4.0A)","1.29A","3pwmB-3u7sA:19.7","3pwmB-3u7sA:75.76"],["3PWM_B_017B402_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","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;PRO A  81","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);017 A 202 (-4.0A)","0.36A","3pwmB-3u7sA:19.7","3pwmB-3u7sA:75.76"],["3PWM_B_017B402_2","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;PRO A  81;VAL A  82","None","0.33A","3pwmB-3uhlA:16.0","3pwmB-3uhlA:79.80"],["3PWM_B_017B402_2","4b2o","Bacillus subtilis","YMDB PHOSPHODIESTERASE","PF13277(YmdB)",5,"GLY A  59;ALA A  60;ASP A  61;VAL A   9;ILE A  36","None","0.87A","3pwmB-4b2oA:undetectable","3pwmB-4b2oA:16.67"],["3PWM_B_017B402_2","4emw","Staphylococcus aureus","COENZYME A DISULFIDE REDUCTASE","PF02852(Pyr_redox_dim);PF07992(Pyr_redox_2)",5,"LEU A 109;GLY A   8;GLY A 276;ILE A 278;ILE A 110","None;FAD A 501 (-3.1A);FAD A 501 (-3.2A);None;None","0.96A","3pwmB-4emwA:undetectable","3pwmB-4emwA:13.46"],["3PWM_B_017B402_2","4g6c","Burkholderia cenocepacia","BETA-HEXOSAMINIDASE 1","PF00933(Glyco_hydro_3)",5,"ASP A 128;GLY A 174;VAL A 136;ILE A 215;ILE A 137","None","0.90A","3pwmB-4g6cA:undetectable","3pwmB-4g6cA:15.18"],["3PWM_B_017B402_2","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","0.81A","3pwmB-4idaA:undetectable","3pwmB-4idaA:17.76"],["3PWM_B_017B402_2","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","0.90A","3pwmB-4injA:undetectable","3pwmB-4injA:15.09"],["3PWM_B_017B402_2","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","0.97A","3pwmB-4lomA:undetectable","3pwmB-4lomA:19.35"],["3PWM_B_017B402_2","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","0.97A","3pwmB-4m2jA:undetectable","3pwmB-4m2jA:13.39"],["3PWM_B_017B402_2","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","0.93A","3pwmB-4na3A:undetectable","3pwmB-4na3A:10.47"],["3PWM_B_017B402_2","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)","0.75A","3pwmB-4njvA:20.0","3pwmB-4njvA:83.84"],["3PWM_B_017B402_2","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)","0.47A","3pwmB-4njvA:20.0","3pwmB-4njvA:83.84"],["3PWM_B_017B402_2","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)","0.39A","3pwmB-4njvA:20.0","3pwmB-4njvA:83.84"],["3PWM_B_017B402_2","4oh1","[Clostridium] scindens","L-IDITOL 2-DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 247;ASP A 204;VAL A 202;GLY A 183;ILE A 178","None","0.92A","3pwmB-4oh1A:undetectable","3pwmB-4oh1A:13.65"],["3PWM_B_017B402_2","4oy7","Streptomyces coelicolor","PUTATIVE SECRETED CELLULOSE BINDING PROTEIN","PF03067(LPMO_10)",5,"LEU A 194;GLY A 131;ALA A 132;PRO A  41;ILE A 134","None","0.84A","3pwmB-4oy7A:undetectable","3pwmB-4oy7A:16.76"],["3PWM_B_017B402_2","4pu6","Phaseolus vulgaris","L-ASPARAGINASE ALPHA SUBUNIT","PF01112(Asparaginase_2)",5,"GLY A  93;ALA A 108;ILE A  48;VAL A  55;ILE A 105","None","0.96A","3pwmB-4pu6A:undetectable","3pwmB-4pu6A:21.21"],["3PWM_B_017B402_2","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","0.75A","3pwmB-4pyrA:undetectable","3pwmB-4pyrA:15.51"],["3PWM_B_017B402_2","4qi4","Crassicarpon hotsonii","CELLOBIOSE DEHYDROGENASE","PF00732(GMC_oxred_N);PF00734(CBM_1);PF05199(GMC_oxred_C)",5,"LEU A 489;GLY A 481;ALA A 480;ILE A 477;ILE A 488","None;FAD A 901 (-3.6A);FAD A 901 (-3.5A);None;None","0.97A","3pwmB-4qi4A:undetectable","3pwmB-4qi4A:9.51"],["3PWM_B_017B402_2","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;VAL A 207","None","0.88A","3pwmB-4xibA:undetectable","3pwmB-4xibA:13.71"],["3PWM_B_017B402_2","4xq6","Mycobacterium tuberculosis","DIHYDROOROTATE DEHYDROGENASE (QUINONE)","PF01180(DHO_dh)",5,"GLY A  63;GLY A 141;ILE A  88;PRO A 136;ILE A 138","None","0.86A","3pwmB-4xq6A:undetectable","3pwmB-4xq6A:14.11"],["3PWM_B_017B402_2","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)","0.48A","3pwmB-4ydfA:12.5","3pwmB-4ydfA:32.17"],["3PWM_B_017B402_2","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)","0.46A","3pwmB-4ydfA:12.5","3pwmB-4ydfA:32.17"],["3PWM_B_017B402_2","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","0.76A","3pwmB-5b18A:18.0","3pwmB-5b18A:72.73"],["3PWM_B_017B402_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81;ILE A  84","None","0.36A","3pwmB-5b18A:18.0","3pwmB-5b18A:72.73"],["3PWM_B_017B402_2","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","0.86A","3pwmB-5cw2C:undetectable","3pwmB-5cw2C:15.41"],["3PWM_B_017B402_2","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","0.95A","3pwmB-5cw5A:undetectable","3pwmB-5cw5A:15.69"],["3PWM_B_017B402_2","5cww","Chaetomium thermophilum","NUCLEOPORIN NUP82","no annotation",5,"ASP B 442;GLY B 445;GLY B 266;PRO B 260;VAL B 394","None","0.87A","3pwmB-5cwwB:undetectable","3pwmB-5cwwB:10.70"],["3PWM_B_017B402_2","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","0.93A","3pwmB-5h1kA:undetectable","3pwmB-5h1kA:8.45"],["3PWM_B_017B402_2","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","0.91A","3pwmB-5hs0A:undetectable","3pwmB-5hs0A:19.64"],["3PWM_B_017B402_2","5kzn","Homo sapiens","METABOTROPIC GLUTAMATE RECEPTOR 2","PF01094(ANF_receptor);PF07562(NCD3G)",5,"LEU A  79;GLY A  85;ASP A  70;ILE A 140;ILE A  72","None","0.92A","3pwmB-5kznA:undetectable","3pwmB-5kznA:11.37"],["3PWM_B_017B402_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ASP A  29;VAL A  32;GLY A  49;ILE A  50;PRO A  81","None","0.52A","3pwmB-5t2zA:20.2","3pwmB-5t2zA:79.80"],["3PWM_B_017B402_2","5t2z","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","1.26A","3pwmB-5t2zA:20.2","3pwmB-5t2zA:79.80"],["3PWM_B_017B402_2","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","0.32A","3pwmB-5t2zA:20.2","3pwmB-5t2zA:79.80"],["3PWM_B_017B402_2","5uib","Agrobacterium tumefaciens","OXIDOREDUCTASE PROTEIN","PF01408(GFO_IDH_MocA)",5,"GLY A 250;VAL A 265;GLY A 143;VAL A 136;ILE A 255","None","0.90A","3pwmB-5uibA:undetectable","3pwmB-5uibA:17.10"],["3PWM_B_017B402_2","5ve3","Paraburkholderia phytofirmans","BPPRF","no annotation",5,"GLY B  88;ALA B  89;ASP B  90;VAL B  59;ILE B  80","None","0.93A","3pwmB-5ve3B:undetectable","3pwmB-5ve3B:14.25"],["3PWM_B_017B402_2","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","0.82A","3pwmB-5vm2A:undetectable","3pwmB-5vm2A:17.07"],["3PWM_B_017B402_2","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","0.92A","3pwmB-5xj1A:undetectable","3pwmB-5xj1A:14.75"],["3PWM_B_017B402_2","5yzc","Measles morbillivirus","GLYCOPROTEIN F1,MEASLES VIRUS FUSION PROTEIN;GLYCOPROTEIN F2","no annotation",5,"LEU A  84;GLY B 218;ILE B 229;VAL B 272;ILE A  87","None","0.98A","3pwmB-5yzcA:undetectable","3pwmB-5yzcA:20.20"],["3PWM_B_017B402_2","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",7,"LEU A  28;ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58;VAL A  99","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);None","0.48A","3pwmB-6fivA:15.7","3pwmB-6fivA:30.58"],["3PWM_B_017B402_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","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  84","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","3pwmB-6upjA:17.6","3pwmB-6upjA:49.49"],["3PWM_B_017B402_2","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","0.71A","3pwmB-6upjA:17.6","3pwmB-6upjA:49.49"]]