SIMILAR PATTERNS OF AMINO ACIDS FOR 3NDW_A_RITA100_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.	1azz	COLLAGENASE (Leptuca pugilator)	PF00089 (Trypsin)	5	ASP A 37 GLY A 61 ALA A 61 ASP A 60 ILE A 35	None	1.05A	3ndwA-1azzA: undetectable	3ndwA-1azzA: 18.14
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.	1b4e	PROTEIN (5-AMINOLEVULINIC ACID DEHYDRATASE) (Escherichia coli)	PF00490 (ALAD)	5	GLY A 305 ALA A 306 ASP A 307 ILE A 255 ILE A 301	None	0.91A	3ndwA-1b4eA: undetectable	3ndwA-1b4eA: 13.59
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.	1fk8	3ALPHA-HYDROXYSTEROI D DEHYDROGENASE/CARBON YL REDUCTASE (Comamonas testosteroni)	PF00106 (adh_short) PF13561 (adh_short_C2)	5	ALA A 40 ASP A 41 GLY A 89 VAL A 5 ILE A 31	None NAD A 800 (-3.3A) None None None	1.03A	3ndwA-1fk8A: undetectable	3ndwA-1fk8A: 15.95
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 PRO A 81 ILE A 84	A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-4.1A) A79 A 800 ( 3.4A) A79 A 800 (-3.8A)	0.86A	3ndwA-1hvcA: 14.4	3ndwA-1hvcA: 46.80
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)	0.76A	3ndwA-1hvcA: 14.4	3ndwA-1hvcA: 46.80
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)	12	ARG A 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 PRO A 81 VAL A 82 ILE A 84	A79 A 800 (-3.4A) A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 ( 4.4A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 ( 3.9A) A79 A 800 (-4.5A) A79 A 800 (-3.6A)	0.37A	3ndwA-1hvcA: 14.4	3ndwA-1hvcA: 46.80
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	ARG A 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 VAL A 82 ILE A 84	A79 A 800 (-3.6A) 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)	0.44A	3ndwA-1hvcA: 14.4	3ndwA-1hvcA: 46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 PRO A 81 VAL A 82 ILE A 84	A79 A 800 (-2.8A) 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 ( 3.4A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.46A	3ndwA-1hvcA: 14.4	3ndwA-1hvcA: 46.80
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.	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	3ndwA-1kaeA: undetectable	3ndwA-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.	1lk5	D-RIBOSE-5-PHOSPHATE ISOMERASE (Pyrococcus horikoshii)	PF06026 (Rib_5-P_isom_A)	5	GLY A 101 ALA A 102 GLY A 207 ILE A 97 ILE A 179	CL A1001 (-3.4A) None None None None	0.76A	3ndwA-1lk5A: undetectable	3ndwA-1lk5A: 20.52
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.	1m0s	RIBOSE-5-PHOSPHATE ISOMERASE A (Haemophilus influenzae)	PF06026 (Rib_5-P_isom_A)	5	GLY A 97 ALA A 98 GLY A 197 ILE A 93 ILE A 169	CIT A 501 (-3.1A) None None None None	0.89A	3ndwA-1m0sA: undetectable	3ndwA-1m0sA: 16.74
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.	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	0.85A	3ndwA-1mewA: undetectable	3ndwA-1mewA: 12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1naa	CELLOBIOSE DEHYDROGENASE (Phanerochaete chrysosporium)	PF00732 (GMC_oxred_N) PF05199 (GMC_oxred_C)	5	GLY A 223 ALA A 224 VAL A 407 GLY A 305 ILE A 229	6FA A 801 (-3.0A) 6FA A 801 ( 4.9A) None 6FA A 801 (-3.5A) None	1.02A	3ndwA-1naaA: undetectable	3ndwA-1naaA: 11.24
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)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 PRO A 81 ILE A 84	None	0.54A	3ndwA-1q9pA: 10.3	3ndwA-1q9pA: 100.00
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)	8	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	0.46A	3ndwA-1sivA: 18.4	3ndwA-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)	8	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	3ndwA-1sivA: 18.4	3ndwA-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.	1svv	THREONINE ALDOLASE (Leishmania major)	PF01212 (Beta_elim_lyase)	5	ASP A 183 GLY A 184 ALA A 185 GLY A 74 ILE A 72	None	1.06A	3ndwA-1svvA: undetectable	3ndwA-1svvA: 16.46
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.	1tjr	BX1 (Zea mays)	PF00290 (Trp_syntA)	5	GLY A 307 ALA A 308 ASP A 309 VAL A 269 ILE A 303	None	0.80A	3ndwA-1tjrA: undetectable	3ndwA-1tjrA: 19.59
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.	1to3	PUTATIVE ALDOLASE YIHT (Salmonella enterica)	PF01791 (DeoC)	5	GLY A 188 ALA A 189 ASP A 190 VAL A 127 ILE A 158	None	0.68A	3ndwA-1to3A: undetectable	3ndwA-1to3A: 18.64
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.	1uww	ENDOGLUCANASE (Bacillus akibai)	PF03424 (CBM_17_28)	5	ALA A 122 VAL A 89 ILE A 169 VAL A 147 ILE A 149	None	0.92A	3ndwA-1uwwA: undetectable	3ndwA-1uwwA: 21.13
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.	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	0.88A	3ndwA-1v5fA: undetectable	3ndwA-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.	1w3f	HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS (Laetiporus sulphureus)	PF03318 (ETX_MTX2)	5	GLY A 241 GLY A 296 ILE A 297 PRO A 221 VAL A 220	None	0.94A	3ndwA-1w3fA: undetectable	3ndwA-1w3fA: 15.86
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.	1wdw	TRYPTOPHAN SYNTHASE BETA CHAIN 1 (Pyrococcus furiosus)	PF00291 (PALP)	5	GLY B 65 ALA B 66 VAL B 221 VAL B 368 ILE B 366	None	0.95A	3ndwA-1wdwB: undetectable	3ndwA-1wdwB: 19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1xtz	RIBOSE-5-PHOSPHATE ISOMERASE (Saccharomyces cerevisiae)	PF06026 (Rib_5-P_isom_A)	5	GLY A 123 ALA A 124 GLY A 235 ILE A 119 ILE A 207	None	0.82A	3ndwA-1xtzA: undetectable	3ndwA-1xtzA: 20.69
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.	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	0.94A	3ndwA-1yg0A: undetectable	3ndwA-1yg0A: 20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2bc0	NADH OXIDASE (Streptococcus pyogenes)	PF02852 (Pyr_redox_dim) PF07992 (Pyr_redox_2)	5	GLY A 453 ALA A 454 ASP A 456 ILE A 387 ILE A 426	None	0.62A	3ndwA-2bc0A: undetectable	3ndwA-2bc0A: 12.70
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.	2bws	XAA-PRO AMINOPEPTIDASE P (Escherichia coli)	PF00557 (Peptidase_M24) PF05195 (AMP_N)	5	ARG A 221 GLY A 262 ALA A 261 ASP A 260 ILE A 215	None None None MN A1442 (-2.0A) None	0.81A	3ndwA-2bwsA: undetectable	3ndwA-2bwsA: 13.43
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.	2czd	OROTIDINE 5'-PHOSPHATE DECARBOXYLASE (Pyrococcus horikoshii)	PF00215 (OMPdecase)	5	GLY A 76 ALA A 77 ILE A 70 VAL A 30 ILE A 43	None	1.06A	3ndwA-2czdA: undetectable	3ndwA-2czdA: 22.28
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	ARG A 8 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	LP1 A 201 (-3.5A) 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)	0.63A	3ndwA-2fmbA: 14.9	3ndwA-2fmbA: 33.96
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)	5	GLY A 27 ALA A 28 VAL A 32 GLY A 54 PRO A 86	LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) None LP1 A 201 (-3.6A) LP1 A 201 (-3.9A)	0.95A	3ndwA-2fmbA: 14.9	3ndwA-2fmbA: 33.96
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.	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)	0.84A	3ndwA-2isqA: undetectable	3ndwA-2isqA: 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.	2qzw	CANDIDAPEPSIN-1 (Candida albicans)	PF00026 (Asp)	5	ASP A 32 GLY A 34 ASP A 37 PRO A 120 ILE A 123	None	0.76A	3ndwA-2qzwA: 7.5	3ndwA-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)	9	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	AB1 A 501 ( 4.7A) 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)	0.33A	3ndwA-2rkfA: 20.9	3ndwA-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)	8	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 PRO A 81 ILE A 84	AB1 A 501 ( 4.7A) 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 (-4.2A) AB1 A 501 ( 4.2A)	0.59A	3ndwA-2rkfA: 20.9	3ndwA-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	ARG A 10 ASP A 37 GLY A 39 ALA A 40 ASP A 41	None	0.87A	3ndwA-2rspA: 12.9	3ndwA-2rspA: 33.60
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	0.38A	3ndwA-2rspA: 12.9	3ndwA-2rspA: 33.60
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.	2y23	MYOMESIN (Homo sapiens)	PF07679 (I-set)	5	ASP A1401 GLY A1409 ILE A1410 VAL A1428 ILE A1389	None	0.73A	3ndwA-2y23A: undetectable	3ndwA-2y23A: 17.79
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.	3a0f	XYLOGLUCANASE (Geotrichum sp. M128)	no annotation	5	GLY A 119 ALA A 120 ASP A 34 GLY A 127 ILE A 177	None	0.99A	3ndwA-3a0fA: undetectable	3ndwA-3a0fA: 8.80
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.	3b1s	FLAGELLAR BIOSYNTHETIC PROTEIN FLHB (Aquifex aeolicus)	PF01312 (Bac_export_2)	5	ALA B 270 VAL B 322 GLY B 287 ILE B 267 VAL B 320	None	1.00A	3ndwA-3b1sB: undetectable	3ndwA-3b1sB: 21.70
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.	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	0.79A	3ndwA-3hdyA: undetectable	3ndwA-3hdyA: 13.38
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.	3mwc	MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN (Kosmotoga olearia)	PF02746 (MR_MLE_N) PF13378 (MR_MLE_C)	6	GLY A 310 ALA A 336 ASP A 337 PRO A 364 VAL A 363 ILE A 149	None	1.10A	3ndwA-3mwcA: undetectable	3ndwA-3mwcA: 15.79
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)	5	ALA A 28 ASP A 30 VAL A 32 GLY A 48 PRO A 81	None	0.80A	3ndwA-3mwsA: 19.5	3ndwA-3mwsA: 79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 50 VAL A 82 ILE A 84	None	0.54A	3ndwA-3mwsA: 19.5	3ndwA-3mwsA: 79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	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	0.42A	3ndwA-3mwsA: 19.5	3ndwA-3mwsA: 79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 30 VAL A 32 PRO A 81 VAL A 82 ILE A 84	None	0.65A	3ndwA-3mwsA: 19.5	3ndwA-3mwsA: 79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3o8o	6-PHOSPHOFRUCTOKINAS E SUBUNIT ALPHA (Saccharomyces cerevisiae)	PF00365 (PFK)	5	GLY A 414 ALA A 415 ASP A 416 VAL A 397 ILE A 452	None	0.91A	3ndwA-3o8oA: undetectable	3ndwA-3o8oA: 8.01
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.	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	0.80A	3ndwA-3opyA: undetectable	3ndwA-3opyA: 7.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3p4g	ANTIFREEZE PROTEIN (Marinomonas primoryensis)	no annotation	5	ASP A 103 GLY A 99 ALA A 98 VAL A 124 GLY A 137	CA A 403 ( 2.4A) CA A 403 (-4.1A) CA A 404 (-4.5A) None CA A 405 (-4.1A)	1.02A	3ndwA-3p4gA: undetectable	3ndwA-3p4gA: 13.85
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.	3pie	5'->3' EXORIBONUCLEASE (XRN1) (Kluyveromyces lactis)	PF03159 (XRN_N)	5	ARG A 960 ASP A1204 GLY A1185 GLY A 966 ILE A1126	None	1.00A	3ndwA-3pieA: undetectable	3ndwA-3pieA: 6.63
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.	3r18	SULFITE OXIDASE (Gallus gallus)	PF00174 (Oxidored_molyb) PF03404 (Mo-co_dimer)	5	ARG A 189 ASP A 321 VAL A 295 GLY A 324 PRO A 346	None	1.05A	3ndwA-3r18A: undetectable	3ndwA-3r18A: 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.	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)	0.76A	3ndwA-3slzA: 11.2	3ndwA-3slzA: 25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	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)	0.39A	3ndwA-3t3cA: 18.7	3ndwA-3t3cA: 74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ARG A 8 GLY A 27 ASP A 30 GLY A 49 ILE A 50	017 A 201 ( 4.8A) 017 A 201 (-3.6A) 017 A 201 (-4.6A) 017 A 201 (-3.0A) 017 A 201 (-3.3A)	0.57A	3ndwA-3ttpA: 19.4	3ndwA-3ttpA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ARG A 8 GLY A 27 ASP A 30 GLY A 49 PRO A 81	017 A 201 ( 4.8A) 017 A 201 (-3.6A) 017 A 201 (-4.6A) 017 A 201 (-3.0A) 017 A 201 (-4.1A)	0.80A	3ndwA-3ttpA: 19.4	3ndwA-3ttpA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 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) 017 A 201 (-4.7A)	0.35A	3ndwA-3ttpA: 19.4	3ndwA-3ttpA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 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) 017 A 201 (-4.1A) 017 A 201 (-4.7A)	0.56A	3ndwA-3ttpA: 19.4	3ndwA-3ttpA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A)	0.45A	3ndwA-3u7sA: 20.0	3ndwA-3u7sA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 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 202 (-4.0A)	0.61A	3ndwA-3u7sA: 20.0	3ndwA-3u7sA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3uhl	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 82	None	0.62A	3ndwA-3uhlA: 16.0	3ndwA-3uhlA: 80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3upy	OXIDOREDUCTASE (Brucella abortus)	PF03447 (NAD_binding_3)	5	GLY A 121 ALA A 122 GLY A 147 PRO A 393 ILE A 425	None	0.97A	3ndwA-3upyA: undetectable	3ndwA-3upyA: 13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3vbe	BETA-CYANOALNINE SYNTHASE (Glycine max)	PF00291 (PALP)	5	GLY A 239 GLY A 232 ILE A 229 PRO A 345 VAL A 343	None PLP A 500 (-3.3A) None PLP A 500 (-4.2A) None	1.02A	3ndwA-3vbeA: undetectable	3ndwA-3vbeA: 14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ao7	ESTERASE (unidentified)	PF12146 (Hydrolase_4)	5	ALA A 125 VAL A 31 ILE A 119 PRO A 82 ILE A 79	None	0.74A	3ndwA-4ao7A: undetectable	3ndwA-4ao7A: 21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4b2o	YMDB PHOSPHODIESTERASE (Bacillus subtilis)	PF13277 (YmdB)	5	GLY A 59 ALA A 60 ASP A 61 VAL A 9 ILE A 36	None	0.85A	3ndwA-4b2oA: undetectable	3ndwA-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.	4gmk	RIBOSE-5-PHOSPHATE ISOMERASE A (Lactobacillus salivarius)	PF06026 (Rib_5-P_isom_A)	5	GLY A 100 ALA A 101 GLY A 204 ILE A 96 ILE A 176	PO4 A 301 (-3.6A) None None None None	0.85A	3ndwA-4gmkA: undetectable	3ndwA-4gmkA: 18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.91A	3ndwA-4jc5A: undetectable	3ndwA-4jc5A: 18.78
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.	4k5u	VARIABLE LYMPHOCYTE RECEPTOR (Petromyzon marinus)	no annotation	5	GLY B 63 GLY B 18 PRO B 25 VAL B 24 ILE B 42	None	0.90A	3ndwA-4k5uB: undetectable	3ndwA-4k5uB: 19.34
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.	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	3ndwA-4m2jA: undetectable	3ndwA-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.	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	0.95A	3ndwA-4ml9A: undetectable	3ndwA-4ml9A: 17.31
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.	4mso	SERINE HYDROXYMETHYLTRANSFE RASE (Burkholderia cenocepacia)	PF00464 (SHMT)	5	ARG A 294 ASP A 320 VAL A 319 GLY A 304 ILE A 307	None	0.93A	3ndwA-4msoA: undetectable	3ndwA-4msoA: 13.07
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 PRO A 81	RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 (-4.8A) RIT A 500 (-3.9A)	0.72A	3ndwA-4njvA: 20.5	3ndwA-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 50 ILE A 84	RIT A 500 (-3.2A) 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) RIT A 500 (-4.3A)	0.47A	3ndwA-4njvA: 20.5	3ndwA-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 ILE A 50 ILE A 84	RIT A 500 (-3.2A) 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)	0.34A	3ndwA-4njvA: 20.5	3ndwA-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 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 RIT A 500 (-3.9A) RIT A 500 (-4.3A)	0.42A	3ndwA-4njvA: 20.5	3ndwA-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 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 (-3.9A) RIT A 500 (-4.3A)	0.42A	3ndwA-4njvA: 20.5	3ndwA-4njvA: 84.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4pv4	PROLINE AMINOPEPTIDASE P II (Yersinia pestis)	PF00557 (Peptidase_M24) PF05195 (AMP_N)	5	ARG A 219 GLY A 260 ALA A 259 ASP A 258 ILE A 213	None None None MG A 501 ( 2.0A) None	0.80A	3ndwA-4pv4A: undetectable	3ndwA-4pv4A: 14.42
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.	4pyr	PUTATIVE BRANCHED-CHAIN AMINO ACID ABC TRANSPORTER (Chromobacterium violaceum)	PF04348 (LppC)	5	ALA A 343 VAL A 88 GLY A 336 ILE A 337 ILE A 86	None	1.04A	3ndwA-4pyrA: undetectable	3ndwA-4pyrA: 13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4r1u	CINNAMOYL COA REDUCTASE (Medicago truncatula)	PF01370 (Epimerase)	5	GLY A 97 ASP A 59 GLY A 8 VAL A 70 ILE A 66	None	0.84A	3ndwA-4r1uA: undetectable	3ndwA-4r1uA: 12.85
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.	4rwe	SUGAR-BINDING TRANSPORT PROTEIN (Yersinia pestis)	PF13407 (Peripla_BP_4)	5	GLY A 196 ALA A 190 ILE A 223 VAL A 214 ILE A 156	None None GOL A 401 ( 4.2A) None None	0.93A	3ndwA-4rweA: undetectable	3ndwA-4rweA: 18.91
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.	4u1r	ATP-DEPENDENT 6-PHOSPHOFRUCTOKINAS E, PLATELET TYPE (Homo sapiens)	PF00365 (PFK)	5	GLY A 233 ALA A 234 ASP A 235 VAL A 216 ILE A 270	PO4 A 802 (-4.0A) None PO4 A 802 ( 4.6A) None None	0.89A	3ndwA-4u1rA: undetectable	3ndwA-4u1rA: 10.08
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)	6	ARG A 10 ASP A 32 GLY A 34 ALA A 35 ASP A 36 GLY A 58	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)	0.43A	3ndwA-4ydfA: 13.2	3ndwA-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	ARG A 10 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)	0.43A	3ndwA-4ydfA: 13.2	3ndwA-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	ARG A 8 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	None	0.30A	3ndwA-5b18A: 17.9	3ndwA-5b18A: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ARG A 8 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 84	None	0.81A	3ndwA-5b18A: 17.9	3ndwA-5b18A: 73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5fmg	PROTEASOME, PUTATIVE (Plasmodium falciparum)	PF00227 (Proteasome)	5	ASP H 157 VAL H 12 ILE H 37 VAL H 231 ILE H 233	None	0.84A	3ndwA-5fmgH: undetectable	3ndwA-5fmgH: 16.00
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.	5ilg	PHOTORECEPTOR DEHYDROGENASE, ISOFORM C (Drosophila melanogaster)	PF00106 (adh_short)	5	ASP A 232 ASP A 85 GLY A 174 VAL A 178 ILE A 131	None	1.02A	3ndwA-5ilgA: undetectable	3ndwA-5ilgA: 18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5j72	PUTATIVE N-ACETYLMURAMOYL-L-A LANINE AMIDASE,AUTOLYSIN CWP6 (Clostridioides difficile)	PF01520 (Amidase_3) PF04122 (CW_binding_2)	5	ARG A 149 GLY A 390 VAL A 169 ILE A 180 ILE A 193	None	0.93A	3ndwA-5j72A: undetectable	3ndwA-5j72A: 10.36
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.	5mz9	- (-)	no annotation	5	ALA A 303 GLY A 387 ILE A 385 VAL A 547 ILE A 395	None	0.92A	3ndwA-5mz9A: undetectable	3ndwA-5mz9A: undetectable
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	ARG A 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 ILE A 84	None	0.38A	3ndwA-5t2zA: 20.0	3ndwA-5t2zA: 80.81
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)	9	ARG A 8 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 PRO A 81 ILE A 84	None	0.66A	3ndwA-5t2zA: 20.0	3ndwA-5t2zA: 80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5u1w	P2X PURINOCEPTOR (Ailuropoda melanoleuca)	PF00864 (P2X_receptor)	5	ASP A 240 GLY A 253 ILE A 254 VAL A 104 ILE A 315	None	1.03A	3ndwA-5u1wA: undetectable	3ndwA-5u1wA: 15.13
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.	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	1.00A	3ndwA-5uibA: undetectable	3ndwA-5uibA: 16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ve3	BPPRF (Paraburkholderia phytofirmans)	no annotation	5	GLY B 88 ALA B 89 ASP B 90 VAL B 59 ILE B 80	None	0.86A	3ndwA-5ve3B: undetectable	3ndwA-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	0.79A	3ndwA-5vm2A: undetectable	3ndwA-5vm2A: 16.55
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.	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	0.88A	3ndwA-5xj1A: undetectable	3ndwA-5xj1A: 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.	5z2e	DIHYDRODIPICOLINATE REDUCTASE (Paenisporosarcina sp. TG-14)	no annotation	5	GLY A 259 VAL A 96 GLY A 242 ILE A 129 ILE A 122	None	1.03A	3ndwA-5z2eA: undetectable	3ndwA-5z2eA: 22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	ARG A 13 ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) 3TL A 201 (-3.4A)	0.35A	3ndwA-6fivA: 15.2	3ndwA-6fivA: 30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	ARG A 13 ASP A 30 GLY A 32 ALA A 33 ASP A 34 VAL A 99	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) None	0.49A	3ndwA-6fivA: 15.2	3ndwA-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)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 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	0.51A	3ndwA-6upjA: 17.8	3ndwA-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)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 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	0.50A	3ndwA-6upjA: 17.8	3ndwA-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)	5	GLY A 27 ASP A 29 GLY A 49 ILE A 50 ILE A 84	NIU A 100 (-4.5A) None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.72A	3ndwA-6upjA: 17.8	3ndwA-6upjA: 49.49

[["3NDW_A_RITA100_1","1azz","Leptuca pugilator","COLLAGENASE","PF00089(Trypsin)",5,"ASP A  37;GLY A  61;ALA A  61;ASP A  60;ILE A  35","None","1.05A","3ndwA-1azzA:undetectable","3ndwA-1azzA:18.14"],["3NDW_A_RITA100_1","1b4e","Escherichia coli","PROTEIN (5-AMINOLEVULINIC ACID DEHYDRATASE)","PF00490(ALAD)",5,"GLY A 305;ALA A 306;ASP A 307;ILE A 255;ILE A 301","None","0.91A","3ndwA-1b4eA:undetectable","3ndwA-1b4eA:13.59"],["3NDW_A_RITA100_1","1fk8","Comamonas testosteroni","3ALPHA-HYDROXYSTEROID DEHYDROGENASE\/CARBONYL REDUCTASE","PF00106(adh_short);PF13561(adh_short_C2)",5,"ALA A  40;ASP A  41;GLY A  89;VAL A   5;ILE A  31","None;NAD A 800 (-3.3A);None;None;None","1.03A","3ndwA-1fk8A:undetectable","3ndwA-1fk8A:15.95"],["3NDW_A_RITA100_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;GLY A  48;PRO A  81;ILE A  84","A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-4.1A);A79 A 800 ( 3.4A);A79 A 800 (-3.8A)","0.86A","3ndwA-1hvcA:14.4","3ndwA-1hvcA:46.80"],["3NDW_A_RITA100_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;VAL A  32;GLY A  48;ILE A  84","A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.4A);A79 A 800 (-3.6A);A79 A 800 (-3.6A)","0.76A","3ndwA-1hvcA:14.4","3ndwA-1hvcA:46.80"],["3NDW_A_RITA100_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",12,"ARG A   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;PRO A  81;VAL A  82;ILE A  84","A79 A 800 (-3.4A);A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 ( 4.4A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 ( 3.9A);A79 A 800 (-4.5A);A79 A 800 (-3.6A)","0.37A","3ndwA-1hvcA:14.4","3ndwA-1hvcA:46.80"],["3NDW_A_RITA100_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"ARG A   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;VAL A  82;ILE A  84","A79 A 800 (-3.6A);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)","0.44A","3ndwA-1hvcA:14.4","3ndwA-1hvcA:46.80"],["3NDW_A_RITA100_1","1hvc","Human immunodeficiency virus 1","HIV-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;PRO A  81;VAL A  82;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 ( 3.4A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.46A","3ndwA-1hvcA:14.4","3ndwA-1hvcA:46.80"],["3NDW_A_RITA100_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","3ndwA-1kaeA:undetectable","3ndwA-1kaeA:11.60"],["3NDW_A_RITA100_1","1lk5","Pyrococcus horikoshii","D-RIBOSE-5-PHOSPHATE ISOMERASE","PF06026(Rib_5-P_isom_A)",5,"GLY A 101;ALA A 102;GLY A 207;ILE A  97;ILE A 179"," CL A1001 (-3.4A);None;None;None;None","0.76A","3ndwA-1lk5A:undetectable","3ndwA-1lk5A:20.52"],["3NDW_A_RITA100_1","1m0s","Haemophilus influenzae","RIBOSE-5-PHOSPHATE ISOMERASE A","PF06026(Rib_5-P_isom_A)",5,"GLY A  97;ALA A  98;GLY A 197;ILE A  93;ILE A 169","CIT A 501 (-3.1A);None;None;None;None","0.89A","3ndwA-1m0sA:undetectable","3ndwA-1m0sA:16.74"],["3NDW_A_RITA100_1","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","0.85A","3ndwA-1mewA:undetectable","3ndwA-1mewA:12.20"],["3NDW_A_RITA100_1","1naa","Phanerochaete chrysosporium","CELLOBIOSE DEHYDROGENASE","PF00732(GMC_oxred_N);PF05199(GMC_oxred_C)",5,"GLY A 223;ALA A 224;VAL A 407;GLY A 305;ILE A 229","6FA A 801 (-3.0A);6FA A 801 ( 4.9A);None;6FA A 801 (-3.5A);None","1.02A","3ndwA-1naaA:undetectable","3ndwA-1naaA:11.24"],["3NDW_A_RITA100_1","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;PRO A  81;ILE A  84","None","0.54A","3ndwA-1q9pA:10.3","3ndwA-1q9pA:100.00"],["3NDW_A_RITA100_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",8,"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","0.46A","3ndwA-1sivA:18.4","3ndwA-1sivA:51.96"],["3NDW_A_RITA100_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",8,"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","3ndwA-1sivA:18.4","3ndwA-1sivA:51.96"],["3NDW_A_RITA100_1","1svv","Leishmania major","THREONINE ALDOLASE","PF01212(Beta_elim_lyase)",5,"ASP A 183;GLY A 184;ALA A 185;GLY A  74;ILE A  72","None","1.06A","3ndwA-1svvA:undetectable","3ndwA-1svvA:16.46"],["3NDW_A_RITA100_1","1tjr","Zea mays","BX1","PF00290(Trp_syntA)",5,"GLY A 307;ALA A 308;ASP A 309;VAL A 269;ILE A 303","None","0.80A","3ndwA-1tjrA:undetectable","3ndwA-1tjrA:19.59"],["3NDW_A_RITA100_1","1to3","Salmonella enterica","PUTATIVE ALDOLASE YIHT","PF01791(DeoC)",5,"GLY A 188;ALA A 189;ASP A 190;VAL A 127;ILE A 158","None","0.68A","3ndwA-1to3A:undetectable","3ndwA-1to3A:18.64"],["3NDW_A_RITA100_1","1uww","Bacillus akibai","ENDOGLUCANASE","PF03424(CBM_17_28)",5,"ALA A 122;VAL A  89;ILE A 169;VAL A 147;ILE A 149","None","0.92A","3ndwA-1uwwA:undetectable","3ndwA-1uwwA:21.13"],["3NDW_A_RITA100_1","1v5f","Aerococcus viridans","PYRUVATE OXIDASE","PF00205(TPP_enzyme_M);PF02775(TPP_enzyme_C);PF02776(TPP_enzyme_N)",5,"ASP A 388;ALA A 444;ASP A 442;VAL A 466;ILE A 440","None;TPP A1602 (-3.7A); MG A1603 ( 2.8A);None;None","0.88A","3ndwA-1v5fA:undetectable","3ndwA-1v5fA:11.15"],["3NDW_A_RITA100_1","1w3f","Laetiporus sulphureus","HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS","PF03318(ETX_MTX2)",5,"GLY A 241;GLY A 296;ILE A 297;PRO A 221;VAL A 220","None","0.94A","3ndwA-1w3fA:undetectable","3ndwA-1w3fA:15.86"],["3NDW_A_RITA100_1","1wdw","Pyrococcus furiosus","TRYPTOPHAN SYNTHASE BETA CHAIN 1","PF00291(PALP)",5,"GLY B  65;ALA B  66;VAL B 221;VAL B 368;ILE B 366","None","0.95A","3ndwA-1wdwB:undetectable","3ndwA-1wdwB:19.27"],["3NDW_A_RITA100_1","1xtz","Saccharomyces cerevisiae","RIBOSE-5-PHOSPHATE ISOMERASE","PF06026(Rib_5-P_isom_A)",5,"GLY A 123;ALA A 124;GLY A 235;ILE A 119;ILE A 207","None","0.82A","3ndwA-1xtzA:undetectable","3ndwA-1xtzA:20.69"],["3NDW_A_RITA100_1","1yg0","Helicobacter pylori","COP ASSOCIATED PROTEIN","PF00403(HMA)",5,"GLY A  62;ALA A  61;ASP A  60;VAL A  23;ILE A  19","None","0.94A","3ndwA-1yg0A:undetectable","3ndwA-1yg0A:20.00"],["3NDW_A_RITA100_1","2bc0","Streptococcus pyogenes","NADH OXIDASE","PF02852(Pyr_redox_dim);PF07992(Pyr_redox_2)",5,"GLY A 453;ALA A 454;ASP A 456;ILE A 387;ILE A 426","None","0.62A","3ndwA-2bc0A:undetectable","3ndwA-2bc0A:12.70"],["3NDW_A_RITA100_1","2bws","Escherichia coli","XAA-PRO AMINOPEPTIDASE P","PF00557(Peptidase_M24);PF05195(AMP_N)",5,"ARG A 221;GLY A 262;ALA A 261;ASP A 260;ILE A 215","None;None;None; MN A1442 (-2.0A);None","0.81A","3ndwA-2bwsA:undetectable","3ndwA-2bwsA:13.43"],["3NDW_A_RITA100_1","2czd","Pyrococcus horikoshii","OROTIDINE 5'-PHOSPHATE DECARBOXYLASE","PF00215(OMPdecase)",5,"GLY A  76;ALA A  77;ILE A  70;VAL A  30;ILE A  43","None","1.06A","3ndwA-2czdA:undetectable","3ndwA-2czdA:22.28"],["3NDW_A_RITA100_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",10,"ARG A   8;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","LP1 A 201 (-3.5A);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)","0.63A","3ndwA-2fmbA:14.9","3ndwA-2fmbA:33.96"],["3NDW_A_RITA100_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",5,"GLY A  27;ALA A  28;VAL A  32;GLY A  54;PRO A  86","LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);None;LP1 A 201 (-3.6A);LP1 A 201 (-3.9A)","0.95A","3ndwA-2fmbA:14.9","3ndwA-2fmbA:33.96"],["3NDW_A_RITA100_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)","0.84A","3ndwA-2isqA:undetectable","3ndwA-2isqA:15.41"],["3NDW_A_RITA100_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","0.76A","3ndwA-2qzwA:7.5","3ndwA-2qzwA:14.54"],["3NDW_A_RITA100_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","AB1 A 501 ( 4.7A);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)","0.33A","3ndwA-2rkfA:20.9","3ndwA-2rkfA:82.83"],["3NDW_A_RITA100_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",8,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81;ILE A  84","AB1 A 501 ( 4.7A);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 (-4.2A);AB1 A 501 ( 4.2A)","0.59A","3ndwA-2rkfA:20.9","3ndwA-2rkfA:82.83"],["3NDW_A_RITA100_1","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",5,"ARG A  10;ASP A  37;GLY A  39;ALA A  40;ASP A  41","None","0.87A","3ndwA-2rspA:12.9","3ndwA-2rspA:33.60"],["3NDW_A_RITA100_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","0.38A","3ndwA-2rspA:12.9","3ndwA-2rspA:33.60"],["3NDW_A_RITA100_1","2y23","Homo sapiens","MYOMESIN","PF07679(I-set)",5,"ASP A1401;GLY A1409;ILE A1410;VAL A1428;ILE A1389","None","0.73A","3ndwA-2y23A:undetectable","3ndwA-2y23A:17.79"],["3NDW_A_RITA100_1","3a0f","Geotrichum sp. M128","XYLOGLUCANASE","no annotation",5,"GLY A 119;ALA A 120;ASP A  34;GLY A 127;ILE A 177","None","0.99A","3ndwA-3a0fA:undetectable","3ndwA-3a0fA:8.80"],["3NDW_A_RITA100_1","3b1s","Aquifex aeolicus","FLAGELLAR BIOSYNTHETIC PROTEIN FLHB","PF01312(Bac_export_2)",5,"ALA B 270;VAL B 322;GLY B 287;ILE B 267;VAL B 320","None","1.00A","3ndwA-3b1sB:undetectable","3ndwA-3b1sB:21.70"],["3NDW_A_RITA100_1","3hdy","Deinococcus radiodurans","UDP-GALACTOPYRANOSE MUTASE","PF03275(GLF);PF13450(NAD_binding_8)",5,"GLY A  38;ALA A  37;VAL A 237;VAL A  55;ILE A  57","FAD A 450 (-3.3A);None;None;None;None","0.79A","3ndwA-3hdyA:undetectable","3ndwA-3hdyA:13.38"],["3NDW_A_RITA100_1","3mwc","Kosmotoga olearia","MANDELATE RACEMASE\/MUCONATE LACTONIZING PROTEIN","PF02746(MR_MLE_N);PF13378(MR_MLE_C)",6,"GLY A 310;ALA A 336;ASP A 337;PRO A 364;VAL A 363;ILE A 149","None","1.10A","3ndwA-3mwcA:undetectable","3ndwA-3mwcA:15.79"],["3NDW_A_RITA100_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  30;VAL A  32;GLY A  48;PRO A  81","None","0.80A","3ndwA-3mwsA:19.5","3ndwA-3mwsA:79.80"],["3NDW_A_RITA100_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;ILE A  50;VAL A  82;ILE A  84","None","0.54A","3ndwA-3mwsA:19.5","3ndwA-3mwsA:79.80"],["3NDW_A_RITA100_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;VAL A  82;ILE A  84","None","0.42A","3ndwA-3mwsA:19.5","3ndwA-3mwsA:79.80"],["3NDW_A_RITA100_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;PRO A  81;VAL A  82;ILE A  84","None","0.65A","3ndwA-3mwsA:19.5","3ndwA-3mwsA:79.80"],["3NDW_A_RITA100_1","3o8o","Saccharomyces cerevisiae","6-PHOSPHOFRUCTOKINASE SUBUNIT ALPHA","PF00365(PFK)",5,"GLY A 414;ALA A 415;ASP A 416;VAL A 397;ILE A 452","None","0.91A","3ndwA-3o8oA:undetectable","3ndwA-3o8oA:8.01"],["3NDW_A_RITA100_1","3opy","Komagataella pastoris","6-PHOSPHOFRUCTO-1-KINASE ALPHA-SUBUNIT","PF00365(PFK)",5,"GLY A 419;ALA A 420;ASP A 421;VAL A 402;ILE A 457","None","0.80A","3ndwA-3opyA:undetectable","3ndwA-3opyA:7.82"],["3NDW_A_RITA100_1","3p4g","Marinomonas primoryensis","ANTIFREEZE PROTEIN","no annotation",5,"ASP A 103;GLY A  99;ALA A  98;VAL A 124;GLY A 137"," CA A 403 ( 2.4A); CA A 403 (-4.1A); CA A 404 (-4.5A);None; CA A 405 (-4.1A)","1.02A","3ndwA-3p4gA:undetectable","3ndwA-3p4gA:13.85"],["3NDW_A_RITA100_1","3pie","Kluyveromyces lactis","5'->3' EXORIBONUCLEASE (XRN1)","PF03159(XRN_N)",5,"ARG A 960;ASP A1204;GLY A1185;GLY A 966;ILE A1126","None","1.00A","3ndwA-3pieA:undetectable","3ndwA-3pieA:6.63"],["3NDW_A_RITA100_1","3r18","Gallus gallus","SULFITE OXIDASE","PF00174(Oxidored_molyb);PF03404(Mo-co_dimer)",5,"ARG A 189;ASP A 321;VAL A 295;GLY A 324;PRO A 346","None","1.05A","3ndwA-3r18A:undetectable","3ndwA-3r18A:11.29"],["3NDW_A_RITA100_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)","0.76A","3ndwA-3slzA:11.2","3ndwA-3slzA:25.95"],["3NDW_A_RITA100_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)","0.39A","3ndwA-3t3cA:18.7","3ndwA-3t3cA:74.75"],["3NDW_A_RITA100_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ARG A   8;GLY A  27;ASP A  30;GLY A  49;ILE A  50","017 A 201 ( 4.8A);017 A 201 (-3.6A);017 A 201 (-4.6A);017 A 201 (-3.0A);017 A 201 (-3.3A)","0.57A","3ndwA-3ttpA:19.4","3ndwA-3ttpA:76.77"],["3NDW_A_RITA100_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ARG A   8;GLY A  27;ASP A  30;GLY A  49;PRO A  81","017 A 201 ( 4.8A);017 A 201 (-3.6A);017 A 201 (-4.6A);017 A 201 (-3.0A);017 A 201 (-4.1A)","0.80A","3ndwA-3ttpA:19.4","3ndwA-3ttpA:76.77"],["3NDW_A_RITA100_1","3ttp","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;GLY A  49;ILE A  50;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);017 A 201 (-4.7A)","0.35A","3ndwA-3ttpA:19.4","3ndwA-3ttpA:76.77"],["3NDW_A_RITA100_1","3ttp","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;GLY A  49;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);017 A 201 (-4.1A);017 A 201 (-4.7A)","0.56A","3ndwA-3ttpA:19.4","3ndwA-3ttpA:76.77"],["3NDW_A_RITA100_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);017 A 202 (-2.9A);017 A 201 ( 3.5A)","0.45A","3ndwA-3u7sA:20.0","3ndwA-3u7sA:76.77"],["3NDW_A_RITA100_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;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 202 (-4.0A)","0.61A","3ndwA-3u7sA:20.0","3ndwA-3u7sA:76.77"],["3NDW_A_RITA100_1","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  82","None","0.62A","3ndwA-3uhlA:16.0","3ndwA-3uhlA:80.81"],["3NDW_A_RITA100_1","3upy","Brucella abortus","OXIDOREDUCTASE","PF03447(NAD_binding_3)",5,"GLY A 121;ALA A 122;GLY A 147;PRO A 393;ILE A 425","None","0.97A","3ndwA-3upyA:undetectable","3ndwA-3upyA:13.03"],["3NDW_A_RITA100_1","3vbe","Glycine max","BETA-CYANOALNINE SYNTHASE","PF00291(PALP)",5,"GLY A 239;GLY A 232;ILE A 229;PRO A 345;VAL A 343","None;PLP A 500 (-3.3A);None;PLP A 500 (-4.2A);None","1.02A","3ndwA-3vbeA:undetectable","3ndwA-3vbeA:14.78"],["3NDW_A_RITA100_1","4ao7","unidentified","ESTERASE","PF12146(Hydrolase_4)",5,"ALA A 125;VAL A  31;ILE A 119;PRO A  82;ILE A  79","None","0.74A","3ndwA-4ao7A:undetectable","3ndwA-4ao7A:21.11"],["3NDW_A_RITA100_1","4b2o","Bacillus subtilis","YMDB PHOSPHODIESTERASE","PF13277(YmdB)",5,"GLY A  59;ALA A  60;ASP A  61;VAL A   9;ILE A  36","None","0.85A","3ndwA-4b2oA:undetectable","3ndwA-4b2oA:16.67"],["3NDW_A_RITA100_1","4gmk","Lactobacillus salivarius","RIBOSE-5-PHOSPHATE ISOMERASE A","PF06026(Rib_5-P_isom_A)",5,"GLY A 100;ALA A 101;GLY A 204;ILE A  96;ILE A 176","PO4 A 301 (-3.6A);None;None;None;None","0.85A","3ndwA-4gmkA:undetectable","3ndwA-4gmkA:18.18"],["3NDW_A_RITA100_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","0.91A","3ndwA-4jc5A:undetectable","3ndwA-4jc5A:18.78"],["3NDW_A_RITA100_1","4k5u","Petromyzon marinus","VARIABLE LYMPHOCYTE RECEPTOR","no annotation",5,"GLY B  63;GLY B  18;PRO B  25;VAL B  24;ILE B  42","None","0.90A","3ndwA-4k5uB:undetectable","3ndwA-4k5uB:19.34"],["3NDW_A_RITA100_1","4m2j","Streptomyces lavendulae","AMINOTRANSFERASE","PF00155(Aminotran_1_2)",5,"GLY A 278;ALA A 281;VAL A 311;GLY A 228;ILE A 200","None","0.97A","3ndwA-4m2jA:undetectable","3ndwA-4m2jA:13.39"],["3NDW_A_RITA100_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","0.95A","3ndwA-4ml9A:undetectable","3ndwA-4ml9A:17.31"],["3NDW_A_RITA100_1","4mso","Burkholderia cenocepacia","SERINE HYDROXYMETHYLTRANSFERASE","PF00464(SHMT)",5,"ARG A 294;ASP A 320;VAL A 319;GLY A 304;ILE A 307","None","0.93A","3ndwA-4msoA:undetectable","3ndwA-4msoA:13.07"],["3NDW_A_RITA100_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48;PRO A  81","RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 (-4.8A);RIT A 500 (-3.9A)","0.72A","3ndwA-4njvA:20.5","3ndwA-4njvA:84.85"],["3NDW_A_RITA100_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  50;ILE A  84","RIT A 500 (-3.2A);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);RIT A 500 (-4.3A)","0.47A","3ndwA-4njvA:20.5","3ndwA-4njvA:84.85"],["3NDW_A_RITA100_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;ILE A  50;ILE A  84","RIT A 500 (-3.2A);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)","0.34A","3ndwA-4njvA:20.5","3ndwA-4njvA:84.85"],["3NDW_A_RITA100_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;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;RIT A 500 (-3.9A);RIT A 500 (-4.3A)","0.42A","3ndwA-4njvA:20.5","3ndwA-4njvA:84.85"],["3NDW_A_RITA100_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;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 (-3.9A);RIT A 500 (-4.3A)","0.42A","3ndwA-4njvA:20.5","3ndwA-4njvA:84.85"],["3NDW_A_RITA100_1","4pv4","Yersinia pestis","PROLINE AMINOPEPTIDASE P II","PF00557(Peptidase_M24);PF05195(AMP_N)",5,"ARG A 219;GLY A 260;ALA A 259;ASP A 258;ILE A 213","None;None;None; MG A 501 ( 2.0A);None","0.80A","3ndwA-4pv4A:undetectable","3ndwA-4pv4A:14.42"],["3NDW_A_RITA100_1","4pyr","Chromobacterium violaceum","PUTATIVE BRANCHED-CHAIN AMINO ACID ABC TRANSPORTER","PF04348(LppC)",5,"ALA A 343;VAL A  88;GLY A 336;ILE A 337;ILE A  86","None","1.04A","3ndwA-4pyrA:undetectable","3ndwA-4pyrA:13.53"],["3NDW_A_RITA100_1","4r1u","Medicago truncatula","CINNAMOYL COA REDUCTASE","PF01370(Epimerase)",5,"GLY A  97;ASP A  59;GLY A   8;VAL A  70;ILE A  66","None","0.84A","3ndwA-4r1uA:undetectable","3ndwA-4r1uA:12.85"],["3NDW_A_RITA100_1","4rwe","Yersinia pestis","SUGAR-BINDING TRANSPORT PROTEIN","PF13407(Peripla_BP_4)",5,"GLY A 196;ALA A 190;ILE A 223;VAL A 214;ILE A 156","None;None;GOL A 401 ( 4.2A);None;None","0.93A","3ndwA-4rweA:undetectable","3ndwA-4rweA:18.91"],["3NDW_A_RITA100_1","4u1r","Homo sapiens","ATP-DEPENDENT 6-PHOSPHOFRUCTOKINASE, PLATELET TYPE","PF00365(PFK)",5,"GLY A 233;ALA A 234;ASP A 235;VAL A 216;ILE A 270","PO4 A 802 (-4.0A);None;PO4 A 802 ( 4.6A);None;None","0.89A","3ndwA-4u1rA:undetectable","3ndwA-4u1rA:10.08"],["3NDW_A_RITA100_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",6,"ARG A  10;ASP A  32;GLY A  34;ALA A  35;ASP A  36;GLY A  58","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)","0.43A","3ndwA-4ydfA:13.2","3ndwA-4ydfA:32.17"],["3NDW_A_RITA100_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",7,"ARG A  10;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)","0.43A","3ndwA-4ydfA:13.2","3ndwA-4ydfA:32.17"],["3NDW_A_RITA100_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ARG A   8;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  84","None","0.30A","3ndwA-5b18A:17.9","3ndwA-5b18A:73.74"],["3NDW_A_RITA100_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ARG A   8;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  84","None","0.81A","3ndwA-5b18A:17.9","3ndwA-5b18A:73.74"],["3NDW_A_RITA100_1","5fmg","Plasmodium falciparum","PROTEASOME, PUTATIVE","PF00227(Proteasome)",5,"ASP H 157;VAL H  12;ILE H  37;VAL H 231;ILE H 233","None","0.84A","3ndwA-5fmgH:undetectable","3ndwA-5fmgH:16.00"],["3NDW_A_RITA100_1","5ilg","Drosophila melanogaster","PHOTORECEPTOR DEHYDROGENASE, ISOFORM C","PF00106(adh_short)",5,"ASP A 232;ASP A  85;GLY A 174;VAL A 178;ILE A 131","None","1.02A","3ndwA-5ilgA:undetectable","3ndwA-5ilgA:18.49"],["3NDW_A_RITA100_1","5j72","Clostridioides difficile","PUTATIVE N-ACETYLMURAMOYL-L-ALANINE AMIDASE,AUTOLYSIN CWP6","PF01520(Amidase_3);PF04122(CW_binding_2)",5,"ARG A 149;GLY A 390;VAL A 169;ILE A 180;ILE A 193","None","0.93A","3ndwA-5j72A:undetectable","3ndwA-5j72A:10.36"],["3NDW_A_RITA100_1","5mz9","-","-","no annotation",5,"ALA A 303;GLY A 387;ILE A 385;VAL A 547;ILE A 395","None","0.92A","3ndwA-5mz9A:undetectable","3ndwA-5mz9A:undetectable"],["3NDW_A_RITA100_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"ARG A   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;ILE A  84","None","0.38A","3ndwA-5t2zA:20.0","3ndwA-5t2zA:80.81"],["3NDW_A_RITA100_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"ARG A   8;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;PRO A  81;ILE A  84","None","0.66A","3ndwA-5t2zA:20.0","3ndwA-5t2zA:80.81"],["3NDW_A_RITA100_1","5u1w","Ailuropoda melanoleuca","P2X PURINOCEPTOR","PF00864(P2X_receptor)",5,"ASP A 240;GLY A 253;ILE A 254;VAL A 104;ILE A 315","None","1.03A","3ndwA-5u1wA:undetectable","3ndwA-5u1wA:15.13"],["3NDW_A_RITA100_1","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","1.00A","3ndwA-5uibA:undetectable","3ndwA-5uibA:16.81"],["3NDW_A_RITA100_1","5ve3","Paraburkholderia phytofirmans","BPPRF","no annotation",5,"GLY B  88;ALA B  89;ASP B  90;VAL B  59;ILE B  80","None","0.86A","3ndwA-5ve3B:undetectable","3ndwA-5ve3B:14.25"],["3NDW_A_RITA100_1","5vm2","Escherichia coli","ALCOHOL DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 237;ALA A 238;ASP A 239;VAL A 199;ILE A 173","None","0.79A","3ndwA-5vm2A:undetectable","3ndwA-5vm2A:16.55"],["3NDW_A_RITA100_1","5xj1","Streptococcus pneumoniae","UNCHARACTERIZED RNA METHYLTRANSFERASE SP_1029","no annotation",5,"GLY A 399;ALA A 400;ASP A 401;ILE A 373;ILE A 378","None","0.88A","3ndwA-5xj1A:undetectable","3ndwA-5xj1A:14.25"],["3NDW_A_RITA100_1","5z2e","Paenisporosarcina sp. TG-14","DIHYDRODIPICOLINATE REDUCTASE","no annotation",5,"GLY A 259;VAL A  96;GLY A 242;ILE A 129;ILE A 122","None","1.03A","3ndwA-5z2eA:undetectable","3ndwA-5z2eA:22.86"],["3NDW_A_RITA100_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"ARG A  13;ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);3TL A 201 (-3.4A)","0.35A","3ndwA-6fivA:15.2","3ndwA-6fivA:30.58"],["3NDW_A_RITA100_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"ARG A  13;ASP A  30;GLY A  32;ALA A  33;ASP A  34;VAL A  99","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);None","0.49A","3ndwA-6fivA:15.2","3ndwA-6fivA:30.58"],["3NDW_A_RITA100_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;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","0.51A","3ndwA-6upjA:17.8","3ndwA-6upjA:49.49"],["3NDW_A_RITA100_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;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","0.50A","3ndwA-6upjA:17.8","3ndwA-6upjA:49.49"],["3NDW_A_RITA100_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",5,"GLY A  27;ASP A  29;GLY A  49;ILE A  50;ILE A  84","NIU A 100 (-4.5A);None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.72A","3ndwA-6upjA:17.8","3ndwA-6upjA:49.49"]]