SIMILAR PATTERNS OF AMINO ACIDS FOR 2NNP_A_ROCA401_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)

Filter list by:

	Hit	Macromolecule/ Organism	Pfam	Res.	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ASP A 25 ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81 VAL A 82	A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 (-3.6A) None A79 A 800 ( 3.9A) A79 A 800 (-4.5A)	0.79A	2nnpA-1hvcA: 14.4	2nnpA-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)	8	ASP A 25 ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81 VAL A 82	A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 (-4.1A) None A79 A 800 ( 3.4A) A79 A 800 (-4.5A)	0.94A	2nnpA-1hvcA: 14.4	2nnpA-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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 47 GLY A 49 ILE A 50 THR A 80 PRO A 81 VAL A 82	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 ( 3.2A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) None A79 A 800 ( 3.9A) A79 A 800 (-4.5A)	0.48A	2nnpA-1hvcA: 14.4	2nnpA-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)	10	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 47 GLY A 49 ILE A 50 THR A 80 VAL A 82	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 ( 3.4A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A) None A79 A 800 (-4.5A)	0.57A	2nnpA-1hvcA: 14.4	2nnpA-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)	10	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 47 GLY A 49 THR A 80 PRO A 81 VAL A 82	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 ( 3.4A) A79 A 800 (-3.4A) None A79 A 800 ( 3.4A) A79 A 800 (-4.5A)	0.58A	2nnpA-1hvcA: 14.4	2nnpA-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.	1p2f	RESPONSE REGULATOR (Thermotoga maritima)	PF00072 (Response_reg) PF00486 (Trans_reg_C)	5	GLY A 93 ALA A 94 ASP A 95 ILE A 61 THR A 78	None	0.90A	2nnpA-1p2fA: undetectable	2nnpA-1p2fA: 19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1p2f	RESPONSE REGULATOR (Thermotoga maritima)	PF00072 (Response_reg) PF00486 (Trans_reg_C)	5	GLY A 93 ASP A 95 ILE A 75 ILE A 61 THR A 78	None	0.90A	2nnpA-1p2fA: undetectable	2nnpA-1p2fA: 19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1poi	GLUTACONATE COENZYME A-TRANSFERASE (Acidaminococcus fermentans)	PF01144 (CoA_trans)	5	GLY B 134 GLY B 107 ILE B 106 THR B 31 VAL B 69	None	0.96A	2nnpA-1poiB: undetectable	2nnpA-1poiB: 16.41
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.	1q15	CARA (Pectobacterium carotovorum)	PF00733 (Asn_synthase) PF09147 (DUF1933)	5	GLY A 379 ILE A 315 THR A 172 PRO A 173 VAL A 174	None	0.90A	2nnpA-1q15A: undetectable	2nnpA-1q15A: 11.84
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 THR A 80 PRO A 81	None	0.71A	2nnpA-1q9pA: 10.2	2nnpA-1q9pA: 98.95
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 THR A 80 PRO A 81	None	0.55A	2nnpA-1sivA: 18.3	2nnpA-1sivA: 50.98
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 GLY A 48 THR A 80 PRO A 81	None	0.80A	2nnpA-1sivA: 18.3	2nnpA-1sivA: 50.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1vkf	GLYCEROL UPTAKE OPERON ANTITERMINATOR-RELAT ED PROTEIN (Thermotoga maritima)	PF04309 (G3P_antiterm)	5	GLY A 71 ALA A 72 ASP A 73 ILE A 39 VAL A 54	None	0.72A	2nnpA-1vkfA: undetectable	2nnpA-1vkfA: 22.11
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.	1vrg	PROPIONYL-COA CARBOXYLASE, BETA SUBUNIT (Thermotoga maritima)	PF01039 (Carboxyl_trans)	6	GLY A 416 ALA A 417 ASP A 418 ILE A 395 ILE A 346 VAL A 360	None	1.32A	2nnpA-1vrgA: undetectable	2nnpA-1vrgA: 12.80
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.	1x0u	HYPOTHETICAL METHYLMALONYL-COA DECARBOXYLASE ALPHA SUBUNIT (Sulfurisphaera tokodaii)	PF01039 (Carboxyl_trans)	5	GLY A 424 ALA A 425 ASP A 426 ILE A 354 VAL A 368	None	0.92A	2nnpA-1x0uA: undetectable	2nnpA-1x0uA: 12.07
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.	1x44	MYOSIN-BINDING PROTEIN C, SLOW-TYPE (Homo sapiens)	PF07679 (I-set)	6	ALA A 36 ASP A 35 ASP A 34 ILE A 65 THR A 11 VAL A 10	None	1.24A	2nnpA-1x44A: undetectable	2nnpA-1x44A: 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.	1x7f	OUTER SURFACE PROTEIN (Bacillus cereus)	PF05913 (DUF871)	5	GLY A 92 ALA A 93 ASP A 94 ILE A 55 VAL A 70	None	0.92A	2nnpA-1x7fA: undetectable	2nnpA-1x7fA: 14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1xa0	PUTATIVE NADPH DEPENDENT OXIDOREDUCTASES (Geobacillus stearothermophilus)	PF00107 (ADH_zinc_N)	5	GLY A 131 ALA A 130 ILE A 66 ILE A 87 VAL A 324	None SO4 A 329 ( 4.2A) None None None	0.96A	2nnpA-1xa0A: undetectable	2nnpA-1xa0A: 17.11
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.	1yr2	PROLYL OLIGOPEPTIDASE (Novosphingobium capsulatum)	PF00326 (Peptidase_S9) PF02897 (Peptidase_S9_N)	6	GLY A 539 ALA A 538 ASP A 537 GLY A 532 PRO A 475 VAL A 474	None	1.48A	2nnpA-1yr2A: undetectable	2nnpA-1yr2A: 11.41
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.	2f8m	RIBOSE 5-PHOSPHATE ISOMERASE (Plasmodium falciparum)	PF06026 (Rib_5-P_isom_A)	5	GLY A 134 ASP A 183 ILE A 138 GLY A 210 THR A 196	None	0.83A	2nnpA-2f8mA: undetectable	2nnpA-2f8mA: 22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2fi1	HYDROLASE, HALOACID DEHALOGENASE-LIKE FAMILY (Streptococcus pneumoniae)	PF13419 (HAD_2)	5	GLY A 168 ALA A 167 GLY A 159 ILE A 158 VAL A 128	None	0.92A	2nnpA-2fi1A: undetectable	2nnpA-2fi1A: 20.00
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)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 54 PRO A 86 VAL A 87	LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) LP1 A 201 (-3.6A) LP1 A 201 (-3.9A) LP1 A 201 ( 4.9A)	0.93A	2nnpA-2fmbA: 14.9	2nnpA-2fmbA: 33.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 53 GLY A 55 PRO A 86 VAL A 87	LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) LP1 A 201 (-4.6A) LP1 A 201 (-3.4A) LP1 A 201 (-3.9A) LP1 A 201 ( 4.9A)	0.53A	2nnpA-2fmbA: 14.9	2nnpA-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.	2g3n	ALPHA-GLUCOSIDASE (Sulfolobus solfataricus)	PF01055 (Glyco_hydro_31) PF13802 (Gal_mutarotas_2)	5	GLY A 115 ILE A 102 GLY A 66 ILE A 65 PRO A 528	None	0.77A	2nnpA-2g3nA: undetectable	2nnpA-2g3nA: 9.31
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.	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)	0.83A	2nnpA-2isqA: undetectable	2nnpA-2isqA: 15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2obv	S-ADENOSYLMETHIONINE SYNTHETASE ISOFORM TYPE-1 (Homo sapiens)	PF00438 (S-AdoMet_synt_N) PF02772 (S-AdoMet_synt_M) PF02773 (S-AdoMet_synt_C)	5	GLY A 260 ASP A 35 GLY A 28 THR A 86 VAL A 83	None	0.94A	2nnpA-2obvA: undetectable	2nnpA-2obvA: 15.45
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.	2oej	2,3-DIKETO-5-METHYLT HIOPENTYL-1-PHOSPHAT E ENOLASE (Geobacillus kaustophilus)	PF00016 (RuBisCO_large) PF02788 (RuBisCO_large_N)	5	GLY A 232 ALA A 233 ASP A 234 GLY A 193 PRO A 185	None	0.96A	2nnpA-2oejA: undetectable	2nnpA-2oejA: 12.34
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.	2qzw	CANDIDAPEPSIN-1 (Candida albicans)	PF00026 (Asp)	5	GLY A 103 ALA A 104 ILE A 170 PRO A 141 VAL A 140	None	0.93A	2nnpA-2qzwA: 7.4	2nnpA-2qzwA: 14.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	7	ASP A 25 ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81	AB1 A 501 (-2.4A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-4.2A) None AB1 A 501 (-4.2A)	0.89A	2nnpA-2rkfA: 20.6	2nnpA-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)	8	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 THR A 80	AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) None	0.51A	2nnpA-2rkfA: 20.6	2nnpA-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)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 THR A 80 PRO A 81	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) None AB1 A 501 (-4.2A)	0.39A	2nnpA-2rkfA: 20.6	2nnpA-2rkfA: 81.82
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.	2uv8	FATTY ACID SYNTHASE SUBUNIT BETA (FAS1) (Saccharomyces cerevisiae)	PF00698 (Acyl_transf_1) PF01575 (MaoC_dehydratas) PF08354 (DUF1729) PF13452 (MaoC_dehydrat_N) PF16073 (SAT)	5	GLY G 621 ALA G 620 ILE G 617 GLY G 648 ILE G 676	None FMN G3051 ( 4.7A) None None None	0.88A	2nnpA-2uv8G: undetectable	2nnpA-2uv8G: 4.29
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.	3aqc	COMPONENT B OF HEXAPRENYL DIPHOSPHATE SYNTHASE (Micrococcus luteus)	PF00348 (polyprenyl_synt)	5	ASP B 211 ASP B 212 ILE B 167 GLY B 204 ILE B 203	MG B 328 (-3.1A) None None None None	0.83A	2nnpA-3aqcB: undetectable	2nnpA-3aqcB: 18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3aqp	PROBABLE SECDF PROTEIN-EXPORT MEMBRANE PROTEIN (Thermus thermophilus)	PF02355 (SecD_SecF) PF07549 (Sec_GG)	5	GLY A 327 ALA A 329 GLY A 274 ILE A 271 VAL A 693	None	0.89A	2nnpA-3aqpA: undetectable	2nnpA-3aqpA: 10.39
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.	3c8t	FUMARATE LYASE (Chelativorans sp. BNC1)	PF00206 (Lyase_1) PF10397 (ADSL_C)	5	GLY A 341 ALA A 343 ASP A 27 GLY A 132 ILE A 129	None	0.90A	2nnpA-3c8tA: undetectable	2nnpA-3c8tA: 12.59
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.	3fs2	2-DEHYDRO-3-DEOXYPHO SPHOOCTONATE ALDOLASE (Brucella melitensis)	PF00793 (DAHP_synth_1)	5	GLY A 75 ASP A 61 ILE A 98 PRO A 109 VAL A 110	None	0.89A	2nnpA-3fs2A: undetectable	2nnpA-3fs2A: 13.61
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.	3i5g	MYOSIN HEAVY CHAIN ISOFORM A (Doryteuthis pealeii)	PF00063 (Myosin_head) PF00612 (IQ) PF02736 (Myosin_N)	5	GLY A 264 ALA A 265 ASP A 266 GLY A 460 ILE A 459	None	0.82A	2nnpA-3i5gA: undetectable	2nnpA-3i5gA: 8.00
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.	3iay	DNA POLYMERASE DELTA CATALYTIC SUBUNIT (Saccharomyces cerevisiae)	PF00136 (DNA_pol_B) PF03104 (DNA_pol_B_exo1)	5	ASP A 976 GLY A 975 ALA A 971 ILE A 811 GLY A 598	None	0.75A	2nnpA-3iayA: undetectable	2nnpA-3iayA: 8.60
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.	3kf3	INVERTASE (Schwanniomyces occidentalis)	PF00251 (Glyco_hydro_32N) PF08244 (Glyco_hydro_32C)	5	ASP A 287 GLY A 289 ASP A 291 ILE A 485 PRO A 355	None None None None NAG A5001 ( 4.9A)	0.89A	2nnpA-3kf3A: undetectable	2nnpA-3kf3A: 11.22
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)	7	ASP A 25 ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81	None	0.96A	2nnpA-3mwsA: 19.5	2nnpA-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)	7	ASP A 25 ALA A 28 ASP A 29 GLY A 48 THR A 80 PRO A 81 VAL A 82	None	0.98A	2nnpA-3mwsA: 19.5	2nnpA-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)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 THR A 80 PRO A 81	None	0.66A	2nnpA-3mwsA: 19.5	2nnpA-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)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 47 GLY A 49 ILE A 50 THR A 80 VAL A 82	None	0.70A	2nnpA-3mwsA: 19.5	2nnpA-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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 47 THR A 80 PRO A 81 VAL A 82	None	0.63A	2nnpA-3mwsA: 19.5	2nnpA-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.	3nns	DNA BINDING RESPONSE REGULATOR B (Thermotoga maritima)	PF00072 (Response_reg)	5	GLY A 93 ALA A 94 ASP A 95 ILE A 61 THR A 78	None None None None BEF A 402 (-3.6A)	0.93A	2nnpA-3nnsA: undetectable	2nnpA-3nnsA: 23.14
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.	3nwr	A RUBISCO-LIKE PROTEIN (Paraburkholderia fungorum)	PF00016 (RuBisCO_large) PF02788 (RuBisCO_large_N)	5	ALA A 354 GLY A 165 ILE A 164 THR A 152 VAL A 149	None None None None GOL A 436 (-3.9A)	0.95A	2nnpA-3nwrA: undetectable	2nnpA-3nwrA: 12.65
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.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	5	ASP A 32 GLY A 34 ALA A 35 GLY A 56 PRO A 89	3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) 3TL A 126 (-3.4A) 3TL A 126 (-4.0A)	0.49A	2nnpA-3slzA: 11.1	2nnpA-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 ILE A 47 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)	0.54A	2nnpA-3t3cA: 18.5	2nnpA-3t3cA: 75.76
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 ILE A 47 THR A 80 PRO A 81	017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) None None None	0.60A	2nnpA-3t3cA: 18.5	2nnpA-3t3cA: 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)	6	ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81	017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-4.6A) None None 017 A 201 (-4.1A)	0.88A	2nnpA-3ttpA: 19.3	2nnpA-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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 THR A 80	017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-4.6A) 017 A 201 (-3.0A) 017 A 201 (-3.3A) None	0.77A	2nnpA-3ttpA: 19.3	2nnpA-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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 THR A 80 PRO A 81	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) None 017 A 201 (-4.1A)	0.49A	2nnpA-3ttpA: 19.3	2nnpA-3ttpA: 75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3u3i	NUCLEOCAPSID PROTEIN (Crimean-Congo hemorrhagic fever orthonairovirus)	PF02477 (Nairo_nucleo)	5	GLY A 340 ASP A 60 GLY A 383 ILE A 385 VAL A 68	None	0.79A	2nnpA-3u3iA: undetectable	2nnpA-3u3iA: 13.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81	017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) 017 A 202 ( 4.6A) None 017 A 202 (-4.0A)	0.93A	2nnpA-3u7sA: 19.7	2nnpA-3u7sA: 77.78
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	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)	0.41A	2nnpA-3u7sA: 19.7	2nnpA-3u7sA: 77.78
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 47 GLY A 49 THR A 80 PRO A 81	017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) 017 A 202 (-3.6A) 017 A 202 (-2.9A) None 017 A 202 (-4.0A)	0.65A	2nnpA-3u7sA: 19.7	2nnpA-3u7sA: 77.78
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 THR A 80 PRO A 81 VAL A 82	None	0.72A	2nnpA-3uhlA: 15.9	2nnpA-3uhlA: 81.82
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.	3wia	NITRITE REDUCTASE (Geobacillus kaustophilus)	PF07731 (Cu-oxidase_2) PF07732 (Cu-oxidase_3)	5	GLY A 302 ALA A 303 GLY A 210 ILE A 54 PRO A 237	None	0.83A	2nnpA-3wiaA: undetectable	2nnpA-3wiaA: 17.13
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.	3wkq	NITRITE REDUCTASE (Geobacillus thermodenitrificans)	PF07731 (Cu-oxidase_2) PF07732 (Cu-oxidase_3)	5	GLY A 302 ALA A 303 GLY A 210 ILE A 54 PRO A 237	MPD A 418 (-3.8A) None None None None	0.83A	2nnpA-3wkqA: undetectable	2nnpA-3wkqA: 16.10
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.	3zwf	ZINC PHOSPHODIESTERASE ELAC PROTEIN 1 (Homo sapiens)	PF00753 (Lactamase_B) PF12706 (Lactamase_B_2)	5	GLY A 188 ALA A 177 ILE A 156 GLY A 95 ILE A 60	None	0.92A	2nnpA-3zwfA: undetectable	2nnpA-3zwfA: 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.	3zyy	IRON-SULFUR CLUSTER BINDING PROTEIN (Carboxydothermus hydrogenoformans)	PF00111 (Fer2) PF14574 (DUF4445)	5	GLY X 577 ALA X 578 GLY X 355 ILE X 357 VAL X 219	None	0.91A	2nnpA-3zyyX: undetectable	2nnpA-3zyyX: 10.76
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.	3zyy	IRON-SULFUR CLUSTER BINDING PROTEIN (Carboxydothermus hydrogenoformans)	PF00111 (Fer2) PF14574 (DUF4445)	5	GLY X 577 ALA X 578 ILE X 345 GLY X 355 ILE X 357	None	0.80A	2nnpA-3zyyX: undetectable	2nnpA-3zyyX: 10.76
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.	4c1n	IRON-SULFUR CLUSTER BINDING PROTEIN (Carboxydothermus hydrogenoformans)	PF14574 (DUF4445)	5	GLY I 577 ALA I 578 ILE I 345 GLY I 355 ILE I 357	None	0.88A	2nnpA-4c1nI: undetectable	2nnpA-4c1nI: 12.25
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.	4ee8	PRENYLTRANSFERASE (Streptomyces cinnamonensis)	PF11468 (PTase_Orf2)	5	ASP A 165 ASP A 60 GLY A 113 THR A 82 PRO A 83	None	0.95A	2nnpA-4ee8A: undetectable	2nnpA-4ee8A: 17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4eqv	INVERTASE 2 (Saccharomyces cerevisiae)	PF00251 (Glyco_hydro_32N) PF08244 (Glyco_hydro_32C)	5	ASP A 261 GLY A 263 ASP A 265 ILE A 464 PRO A 333	None	0.89A	2nnpA-4eqvA: undetectable	2nnpA-4eqvA: 12.37
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.	4ilk	STARVATION SENSING PROTEIN RSPB (Escherichia coli)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 206 ALA A 207 ASP A 208 ILE A 190 ILE A 176	None	0.95A	2nnpA-4ilkA: undetectable	2nnpA-4ilkA: 17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4jga	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Rickettsia rickettsii)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C)	5	GLY A 276 ALA A 301 ASP A 304 ILE A 273 ILE A 184	None	0.93A	2nnpA-4jgaA: undetectable	2nnpA-4jgaA: 13.27
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.	4kws	D-MANNONATE DEHYDRATASE (Chromohalobacter salexigens)	PF02746 (MR_MLE_N) PF13378 (MR_MLE_C)	5	GLY A 34 ILE A 88 GLY A 294 ILE A 295 THR A 68	None	0.86A	2nnpA-4kwsA: undetectable	2nnpA-4kwsA: 15.93
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.	4lq0	LAGLIDADG HOMING ENDONUCLEASE (Leptographium truncatum)	PF00961 (LAGLIDADG_1)	5	ASP A 53 GLY A 262 ILE A 15 GLY A 176 ILE A 178	None	0.93A	2nnpA-4lq0A: undetectable	2nnpA-4lq0A: 16.07
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)	7	ASP A 25 ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81	RIT A 500 (-2.4A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) RIT A 500 (-4.8A) None RIT A 500 (-3.9A)	0.81A	2nnpA-4njvA: 20.4	2nnpA-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)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 THR A 80 PRO A 81	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)	0.49A	2nnpA-4njvA: 20.4	2nnpA-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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 47 GLY A 49 ILE A 50 THR A 80	RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 ( 4.5A) RIT A 500 (-3.4A) RIT A 500 (-4.3A) None	0.56A	2nnpA-4njvA: 20.4	2nnpA-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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 47 GLY A 49 THR A 80 PRO A 81	RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 ( 4.5A) RIT A 500 (-3.4A) None RIT A 500 (-3.9A)	0.63A	2nnpA-4njvA: 20.4	2nnpA-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.	4odj	S-ADENOSYLMETHIONINE SYNTHASE (Cryptosporidium hominis)	PF00438 (S-AdoMet_synt_N) PF02772 (S-AdoMet_synt_M) PF02773 (S-AdoMet_synt_C)	5	GLY A 268 ASP A 40 GLY A 33 THR A 91 VAL A 88	None	0.93A	2nnpA-4odjA: undetectable	2nnpA-4odjA: 15.85
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.	4q6k	BNR/ASP-BOX REPEAT PROTEIN (Bacteroides caccae)	PF13088 (BNR_2) PF14873 (BNR_assoc_N)	5	ALA A 127 ILE A 133 THR A 111 PRO A 112 VAL A 113	None EDO A 609 (-4.8A) None None None	0.94A	2nnpA-4q6kA: undetectable	2nnpA-4q6kA: 11.65
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.	4ttp	DEPHOSPHO-COA KINASE (Legionella pneumophila)	PF01121 (CoaE)	5	ALA A 175 ASP A 176 ASP A 177 GLY A 12 ILE A 118	None	0.85A	2nnpA-4ttpA: undetectable	2nnpA-4ttpA: 18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4w6v	DI-/TRIPEPTIDE TRANSPORTER (Yersinia enterocolitica)	PF00854 (PTR2)	5	GLY A 181 ILE A 107 GLY A 187 ILE A 188 PRO A 39	None	0.93A	2nnpA-4w6vA: undetectable	2nnpA-4w6vA: 14.29
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.	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	0.83A	2nnpA-4xibA: undetectable	2nnpA-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.	4xr9	CALS8 (Micromonospora echinospora)	PF00984 (UDPG_MGDP_dh) PF03720 (UDPG_MGDP_dh_C) PF03721 (UDPG_MGDP_dh_N)	6	ASP A 369 ALA A 372 ASP A 373 THR A 349 PRO A 350 VAL A 351	None	1.23A	2nnpA-4xr9A: undetectable	2nnpA-4xr9A: 14.50
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)	5	ASP A 32 GLY A 34 ALA A 35 ASP A 36 GLY A 58	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)	0.53A	2nnpA-4ydfA: 13.1	2nnpA-4ydfA: 31.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4zr8	UROPORPHYRINOGEN DECARBOXYLASE (Acinetobacter baumannii)	PF01208 (URO-D)	5	GLY A 263 ALA A 264 ASP A 265 ILE A 204 PRO A 148	None	0.96A	2nnpA-4zr8A: undetectable	2nnpA-4zr8A: 15.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ALA A 28 ASP A 29 ASP A 30 THR A 80 PRO A 81	None	0.75A	2nnpA-5b18A: 17.6	2nnpA-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)	5	GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49	None	0.71A	2nnpA-5b18A: 17.6	2nnpA-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)	5	GLY A 27 ALA A 28 ASP A 29 ASP A 30 THR A 80	None	0.52A	2nnpA-5b18A: 17.6	2nnpA-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.	5h9u	S-ADENOSYLMETHIONINE SYNTHASE (Thermus thermophilus)	no annotation	5	GLY C 253 ASP C 22 GLY C 15 THR C 73 VAL C 70	None	0.94A	2nnpA-5h9uC: undetectable	2nnpA-5h9uC: 13.81
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.	5inf	CARBOXYL TRANSFERASE (Streptomyces ambofaciens)	PF01039 (Carboxyl_trans)	5	GLY A 431 ALA A 432 ASP A 433 ILE A 410 ILE A 361	None	0.95A	2nnpA-5infA: undetectable	2nnpA-5infA: 14.76
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.	5odr	METHYL-VIOLOGEN REDUCING HYDROGENASE, SUBUNIT A METHYL-VIOLOGEN REDUCING HYDROGENASE, SUBUNIT G (Methanothermococcus thermolithotrophicus)	PF00374 (NiFeSe_Hases) PF01058 (Oxidored_q6)	5	GLY F 14 ILE F 60 GLY F 62 ILE E 17 PRO F 374	None None None None NFU F 501 (-3.5A)	0.92A	2nnpA-5odrF: undetectable	2nnpA-5odrF: 13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ohs	- (-)	no annotation	5	GLY A 454 GLY A 472 THR A 514 PRO A 515 VAL A 516	None	0.74A	2nnpA-5ohsA: undetectable	2nnpA-5ohsA: undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ovk	3-OXOACYL-[ACYL-CARR IER-PROTEIN] REDUCTASE FABG (Mycolicibacterium smegmatis)	no annotation	5	GLY A 123 ALA A 124 ILE A 146 GLY A 98 ILE A 99	None None None NDP A 301 (-4.5A) NDP A 301 ( 4.9A)	0.88A	2nnpA-5ovkA: undetectable	2nnpA-5ovkA: 22.00
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.	5ovl	3-OXOACYL-[ACYL-CARR IER-PROTEIN] REDUCTASE FABG (Mycolicibacterium smegmatis)	no annotation	5	GLY A 123 ALA A 124 ILE A 146 GLY A 98 ILE A 99	None None NAP A1001 (-4.6A) NAP A1001 (-3.4A) NAP A1001 (-4.5A)	0.87A	2nnpA-5ovlA: undetectable	2nnpA-5ovlA: 20.00
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 47 GLY A 49 ILE A 50 THR A 80	None	0.64A	2nnpA-5t2zA: 19.7	2nnpA-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)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 47 GLY A 49 THR A 80 PRO A 81	None	0.67A	2nnpA-5t2zA: 19.7	2nnpA-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.	5u1w	P2X PURINOCEPTOR (Ailuropoda melanoleuca)	PF00864 (P2X_receptor)	6	GLY A 117 ILE A 170 GLY A 146 ILE A 147 THR A 161 VAL A 153	None	1.22A	2nnpA-5u1wA: undetectable	2nnpA-5u1wA: 15.63
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.	5usw	DIHYDROPTEROATE SYNTHASE (Aliivibrio fischeri)	PF00809 (Pterin_bind)	6	GLY A 110 ALA A 111 ASP A 112 ILE A 81 THR A 97 VAL A 102	None	1.33A	2nnpA-5uswA: undetectable	2nnpA-5uswA: 15.47
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.	5wug	BETA-GLUCOSIDASE (Paenibacillus barengoltzii)	no annotation	5	ALA A 43 ILE A 235 GLY A 232 ILE A 588 THR A 584	None	0.90A	2nnpA-5wugA: undetectable	2nnpA-5wugA: 20.18
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	ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58 VAL A 99	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	0.55A	2nnpA-6fivA: 15.1	2nnpA-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 ALA A 28 ASP A 29 ASP A 30 GLY A 48 THR A 80 PRO A 81	NIU A 100 (-2.8A) NIU A 100 (-3.6A) None None None None None	0.97A	2nnpA-6upjA: 17.5	2nnpA-6upjA: 48.48
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 THR A 80	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) None	0.85A	2nnpA-6upjA: 17.5	2nnpA-6upjA: 48.48
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 THR A 80 PRO A 81	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None None None	0.45A	2nnpA-6upjA: 17.5	2nnpA-6upjA: 48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	6	GLY A 27 ASP A 29 ASP A 30 GLY A 49 ILE A 50 THR A 80	NIU A 100 (-4.5A) None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	1.03A	2nnpA-6upjA: 17.5	2nnpA-6upjA: 48.48

[["2NNP_A_ROCA401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ASP A  25;ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81;VAL A  82","A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 (-3.6A);None;A79 A 800 ( 3.9A);A79 A 800 (-4.5A)","0.79A","2nnpA-1hvcA:14.4","2nnpA-1hvcA:46.31"],["2NNP_A_ROCA401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ASP A  25;ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81;VAL A  82","A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 (-4.1A);None;A79 A 800 ( 3.4A);A79 A 800 (-4.5A)","0.94A","2nnpA-1hvcA:14.4","2nnpA-1hvcA:46.31"],["2NNP_A_ROCA401_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  47;GLY A  49;ILE A  50;THR A  80;PRO A  81;VAL A  82","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 ( 3.2A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);None;A79 A 800 ( 3.9A);A79 A 800 (-4.5A)","0.48A","2nnpA-1hvcA:14.4","2nnpA-1hvcA:46.31"],["2NNP_A_ROCA401_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;ILE A  47;GLY A  49;ILE A  50;THR A  80;VAL A  82","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 ( 3.4A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A);None;A79 A 800 (-4.5A)","0.57A","2nnpA-1hvcA:14.4","2nnpA-1hvcA:46.31"],["2NNP_A_ROCA401_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;ILE A  47;GLY A  49;THR A  80;PRO A  81;VAL A  82","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 ( 3.4A);A79 A 800 (-3.4A);None;A79 A 800 ( 3.4A);A79 A 800 (-4.5A)","0.58A","2nnpA-1hvcA:14.4","2nnpA-1hvcA:46.31"],["2NNP_A_ROCA401_1","1p2f","Thermotoga maritima","RESPONSE REGULATOR","PF00072(Response_reg);PF00486(Trans_reg_C)",5,"GLY A  93;ALA A  94;ASP A  95;ILE A  61;THR A  78","None","0.90A","2nnpA-1p2fA:undetectable","2nnpA-1p2fA:19.07"],["2NNP_A_ROCA401_1","1p2f","Thermotoga maritima","RESPONSE REGULATOR","PF00072(Response_reg);PF00486(Trans_reg_C)",5,"GLY A  93;ASP A  95;ILE A  75;ILE A  61;THR A  78","None","0.90A","2nnpA-1p2fA:undetectable","2nnpA-1p2fA:19.07"],["2NNP_A_ROCA401_1","1poi","Acidaminococcus fermentans","GLUTACONATE COENZYME A-TRANSFERASE","PF01144(CoA_trans)",5,"GLY B 134;GLY B 107;ILE B 106;THR B  31;VAL B  69","None","0.96A","2nnpA-1poiB:undetectable","2nnpA-1poiB:16.41"],["2NNP_A_ROCA401_1","1q15","Pectobacterium carotovorum","CARA","PF00733(Asn_synthase);PF09147(DUF1933)",5,"GLY A 379;ILE A 315;THR A 172;PRO A 173;VAL A 174","None","0.90A","2nnpA-1q15A:undetectable","2nnpA-1q15A:11.84"],["2NNP_A_ROCA401_1","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;THR A  80;PRO A  81","None","0.71A","2nnpA-1q9pA:10.2","2nnpA-1q9pA:98.95"],["2NNP_A_ROCA401_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;THR A  80;PRO A  81","None","0.55A","2nnpA-1sivA:18.3","2nnpA-1sivA:50.98"],["2NNP_A_ROCA401_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  48;THR A  80;PRO A  81","None","0.80A","2nnpA-1sivA:18.3","2nnpA-1sivA:50.98"],["2NNP_A_ROCA401_1","1vkf","Thermotoga maritima","GLYCEROL UPTAKE OPERON ANTITERMINATOR-RELATED PROTEIN","PF04309(G3P_antiterm)",5,"GLY A  71;ALA A  72;ASP A  73;ILE A  39;VAL A  54","None","0.72A","2nnpA-1vkfA:undetectable","2nnpA-1vkfA:22.11"],["2NNP_A_ROCA401_1","1vrg","Thermotoga maritima","PROPIONYL-COA CARBOXYLASE, BETA SUBUNIT","PF01039(Carboxyl_trans)",6,"GLY A 416;ALA A 417;ASP A 418;ILE A 395;ILE A 346;VAL A 360","None","1.32A","2nnpA-1vrgA:undetectable","2nnpA-1vrgA:12.80"],["2NNP_A_ROCA401_1","1x0u","Sulfurisphaera tokodaii","HYPOTHETICAL METHYLMALONYL-COA DECARBOXYLASE ALPHA SUBUNIT","PF01039(Carboxyl_trans)",5,"GLY A 424;ALA A 425;ASP A 426;ILE A 354;VAL A 368","None","0.92A","2nnpA-1x0uA:undetectable","2nnpA-1x0uA:12.07"],["2NNP_A_ROCA401_1","1x44","Homo sapiens","MYOSIN-BINDING PROTEIN C, SLOW-TYPE","PF07679(I-set)",6,"ALA A  36;ASP A  35;ASP A  34;ILE A  65;THR A  11;VAL A  10","None","1.24A","2nnpA-1x44A:undetectable","2nnpA-1x44A:19.27"],["2NNP_A_ROCA401_1","1x7f","Bacillus cereus","OUTER SURFACE PROTEIN","PF05913(DUF871)",5,"GLY A  92;ALA A  93;ASP A  94;ILE A  55;VAL A  70","None","0.92A","2nnpA-1x7fA:undetectable","2nnpA-1x7fA:14.17"],["2NNP_A_ROCA401_1","1xa0","Geobacillus stearothermophilus","PUTATIVE NADPH DEPENDENT OXIDOREDUCTASES","PF00107(ADH_zinc_N)",5,"GLY A 131;ALA A 130;ILE A  66;ILE A  87;VAL A 324","None;SO4 A 329 ( 4.2A);None;None;None","0.96A","2nnpA-1xa0A:undetectable","2nnpA-1xa0A:17.11"],["2NNP_A_ROCA401_1","1yr2","Novosphingobium capsulatum","PROLYL OLIGOPEPTIDASE","PF00326(Peptidase_S9);PF02897(Peptidase_S9_N)",6,"GLY A 539;ALA A 538;ASP A 537;GLY A 532;PRO A 475;VAL A 474","None","1.48A","2nnpA-1yr2A:undetectable","2nnpA-1yr2A:11.41"],["2NNP_A_ROCA401_1","2f8m","Plasmodium falciparum","RIBOSE 5-PHOSPHATE ISOMERASE","PF06026(Rib_5-P_isom_A)",5,"GLY A 134;ASP A 183;ILE A 138;GLY A 210;THR A 196","None","0.83A","2nnpA-2f8mA:undetectable","2nnpA-2f8mA:22.16"],["2NNP_A_ROCA401_1","2fi1","Streptococcus pneumoniae","HYDROLASE, HALOACID DEHALOGENASE-LIKE FAMILY","PF13419(HAD_2)",5,"GLY A 168;ALA A 167;GLY A 159;ILE A 158;VAL A 128","None","0.92A","2nnpA-2fi1A:undetectable","2nnpA-2fi1A:20.00"],["2NNP_A_ROCA401_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  54;PRO A  86;VAL A  87","LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);LP1 A 201 (-3.6A);LP1 A 201 (-3.9A);LP1 A 201 ( 4.9A)","0.93A","2nnpA-2fmbA:14.9","2nnpA-2fmbA:33.02"],["2NNP_A_ROCA401_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  53;GLY A  55;PRO A  86;VAL A  87","LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);LP1 A 201 (-4.6A);LP1 A 201 (-3.4A);LP1 A 201 (-3.9A);LP1 A 201 ( 4.9A)","0.53A","2nnpA-2fmbA:14.9","2nnpA-2fmbA:33.02"],["2NNP_A_ROCA401_1","2g3n","Sulfolobus solfataricus","ALPHA-GLUCOSIDASE","PF01055(Glyco_hydro_31);PF13802(Gal_mutarotas_2)",5,"GLY A 115;ILE A 102;GLY A  66;ILE A  65;PRO A 528","None","0.77A","2nnpA-2g3nA:undetectable","2nnpA-2g3nA:9.31"],["2NNP_A_ROCA401_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)","0.83A","2nnpA-2isqA:undetectable","2nnpA-2isqA:15.72"],["2NNP_A_ROCA401_1","2obv","Homo sapiens","S-ADENOSYLMETHIONINE SYNTHETASE ISOFORM TYPE-1","PF00438(S-AdoMet_synt_N);PF02772(S-AdoMet_synt_M);PF02773(S-AdoMet_synt_C)",5,"GLY A 260;ASP A  35;GLY A  28;THR A  86;VAL A  83","None","0.94A","2nnpA-2obvA:undetectable","2nnpA-2obvA:15.45"],["2NNP_A_ROCA401_1","2oej","Geobacillus kaustophilus","2,3-DIKETO-5-METHYLTHIOPENTYL-1-PHOSPHATE ENOLASE","PF00016(RuBisCO_large);PF02788(RuBisCO_large_N)",5,"GLY A 232;ALA A 233;ASP A 234;GLY A 193;PRO A 185","None","0.96A","2nnpA-2oejA:undetectable","2nnpA-2oejA:12.34"],["2NNP_A_ROCA401_1","2qzw","Candida albicans","CANDIDAPEPSIN-1","PF00026(Asp)",5,"GLY A 103;ALA A 104;ILE A 170;PRO A 141;VAL A 140","None","0.93A","2nnpA-2qzwA:7.4","2nnpA-2qzwA:14.24"],["2NNP_A_ROCA401_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",7,"ASP A  25;ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81","AB1 A 501 (-2.4A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-4.2A);None;AB1 A 501 (-4.2A)","0.89A","2nnpA-2rkfA:20.6","2nnpA-2rkfA:81.82"],["2NNP_A_ROCA401_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;THR A  80","AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);None","0.51A","2nnpA-2rkfA:20.6","2nnpA-2rkfA:81.82"],["2NNP_A_ROCA401_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;THR A  80;PRO A  81","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);None;AB1 A 501 (-4.2A)","0.39A","2nnpA-2rkfA:20.6","2nnpA-2rkfA:81.82"],["2NNP_A_ROCA401_1","2uv8","Saccharomyces cerevisiae","FATTY ACID SYNTHASE SUBUNIT BETA (FAS1)","PF00698(Acyl_transf_1);PF01575(MaoC_dehydratas);PF08354(DUF1729);PF13452(MaoC_dehydrat_N);PF16073(SAT)",5,"GLY G 621;ALA G 620;ILE G 617;GLY G 648;ILE G 676","None;FMN G3051 ( 4.7A);None;None;None","0.88A","2nnpA-2uv8G:undetectable","2nnpA-2uv8G:4.29"],["2NNP_A_ROCA401_1","3aqc","Micrococcus luteus","COMPONENT B OF HEXAPRENYL DIPHOSPHATE SYNTHASE","PF00348(polyprenyl_synt)",5,"ASP B 211;ASP B 212;ILE B 167;GLY B 204;ILE B 203"," MG B 328 (-3.1A);None;None;None;None","0.83A","2nnpA-3aqcB:undetectable","2nnpA-3aqcB:18.12"],["2NNP_A_ROCA401_1","3aqp","Thermus thermophilus","PROBABLE SECDF PROTEIN-EXPORT MEMBRANE PROTEIN","PF02355(SecD_SecF);PF07549(Sec_GG)",5,"GLY A 327;ALA A 329;GLY A 274;ILE A 271;VAL A 693","None","0.89A","2nnpA-3aqpA:undetectable","2nnpA-3aqpA:10.39"],["2NNP_A_ROCA401_1","3c8t","Chelativorans sp. BNC1","FUMARATE LYASE","PF00206(Lyase_1);PF10397(ADSL_C)",5,"GLY A 341;ALA A 343;ASP A  27;GLY A 132;ILE A 129","None","0.90A","2nnpA-3c8tA:undetectable","2nnpA-3c8tA:12.59"],["2NNP_A_ROCA401_1","3fs2","Brucella melitensis","2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE","PF00793(DAHP_synth_1)",5,"GLY A  75;ASP A  61;ILE A  98;PRO A 109;VAL A 110","None","0.89A","2nnpA-3fs2A:undetectable","2nnpA-3fs2A:13.61"],["2NNP_A_ROCA401_1","3i5g","Doryteuthis pealeii","MYOSIN HEAVY CHAIN ISOFORM A","PF00063(Myosin_head);PF00612(IQ);PF02736(Myosin_N)",5,"GLY A 264;ALA A 265;ASP A 266;GLY A 460;ILE A 459","None","0.82A","2nnpA-3i5gA:undetectable","2nnpA-3i5gA:8.00"],["2NNP_A_ROCA401_1","3iay","Saccharomyces cerevisiae","DNA POLYMERASE DELTA CATALYTIC SUBUNIT","PF00136(DNA_pol_B);PF03104(DNA_pol_B_exo1)",5,"ASP A 976;GLY A 975;ALA A 971;ILE A 811;GLY A 598","None","0.75A","2nnpA-3iayA:undetectable","2nnpA-3iayA:8.60"],["2NNP_A_ROCA401_1","3kf3","Schwanniomyces occidentalis","INVERTASE","PF00251(Glyco_hydro_32N);PF08244(Glyco_hydro_32C)",5,"ASP A 287;GLY A 289;ASP A 291;ILE A 485;PRO A 355","None;None;None;None;NAG A5001 ( 4.9A)","0.89A","2nnpA-3kf3A:undetectable","2nnpA-3kf3A:11.22"],["2NNP_A_ROCA401_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ASP A  25;ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81","None","0.96A","2nnpA-3mwsA:19.5","2nnpA-3mwsA:78.79"],["2NNP_A_ROCA401_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ASP A  25;ALA A  28;ASP A  29;GLY A  48;THR A  80;PRO A  81;VAL A  82","None","0.98A","2nnpA-3mwsA:19.5","2nnpA-3mwsA:78.79"],["2NNP_A_ROCA401_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;THR A  80;PRO A  81","None","0.66A","2nnpA-3mwsA:19.5","2nnpA-3mwsA:78.79"],["2NNP_A_ROCA401_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  47;GLY A  49;ILE A  50;THR A  80;VAL A  82","None","0.70A","2nnpA-3mwsA:19.5","2nnpA-3mwsA:78.79"],["2NNP_A_ROCA401_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  47;THR A  80;PRO A  81;VAL A  82","None","0.63A","2nnpA-3mwsA:19.5","2nnpA-3mwsA:78.79"],["2NNP_A_ROCA401_1","3nns","Thermotoga maritima","DNA BINDING RESPONSE REGULATOR B","PF00072(Response_reg)",5,"GLY A  93;ALA A  94;ASP A  95;ILE A  61;THR A  78","None;None;None;None;BEF A 402 (-3.6A)","0.93A","2nnpA-3nnsA:undetectable","2nnpA-3nnsA:23.14"],["2NNP_A_ROCA401_1","3nwr","Paraburkholderia fungorum","A RUBISCO-LIKE PROTEIN","PF00016(RuBisCO_large);PF02788(RuBisCO_large_N)",5,"ALA A 354;GLY A 165;ILE A 164;THR A 152;VAL A 149","None;None;None;None;GOL A 436 (-3.9A)","0.95A","2nnpA-3nwrA:undetectable","2nnpA-3nwrA:12.65"],["2NNP_A_ROCA401_1","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"ASP A  32;GLY A  34;ALA A  35;GLY A  56;PRO A  89","3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);3TL A 126 (-3.4A);3TL A 126 (-4.0A)","0.49A","2nnpA-3slzA:11.1","2nnpA-3slzA:25.95"],["2NNP_A_ROCA401_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;ILE A  47;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)","0.54A","2nnpA-3t3cA:18.5","2nnpA-3t3cA:75.76"],["2NNP_A_ROCA401_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;ILE A  47;THR A  80;PRO A  81","017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);None;None;None","0.60A","2nnpA-3t3cA:18.5","2nnpA-3t3cA:75.76"],["2NNP_A_ROCA401_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81","017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-4.6A);None;None;017 A 201 (-4.1A)","0.88A","2nnpA-3ttpA:19.3","2nnpA-3ttpA:75.76"],["2NNP_A_ROCA401_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;THR A  80","017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-4.6A);017 A 201 (-3.0A);017 A 201 (-3.3A);None","0.77A","2nnpA-3ttpA:19.3","2nnpA-3ttpA:75.76"],["2NNP_A_ROCA401_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;THR A  80;PRO A  81","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);None;017 A 201 (-4.1A)","0.49A","2nnpA-3ttpA:19.3","2nnpA-3ttpA:75.76"],["2NNP_A_ROCA401_1","3u3i","Crimean-Congo hemorrhagic fever orthonairovirus","NUCLEOCAPSID PROTEIN","PF02477(Nairo_nucleo)",5,"GLY A 340;ASP A  60;GLY A 383;ILE A 385;VAL A  68","None","0.79A","2nnpA-3u3iA:undetectable","2nnpA-3u3iA:13.61"],["2NNP_A_ROCA401_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81","017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);017 A 202 ( 4.6A);None;017 A 202 (-4.0A)","0.93A","2nnpA-3u7sA:19.7","2nnpA-3u7sA:77.78"],["2NNP_A_ROCA401_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","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)","0.41A","2nnpA-3u7sA:19.7","2nnpA-3u7sA:77.78"],["2NNP_A_ROCA401_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  47;GLY A  49;THR A  80;PRO A  81","017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);017 A 202 (-3.6A);017 A 202 (-2.9A);None;017 A 202 (-4.0A)","0.65A","2nnpA-3u7sA:19.7","2nnpA-3u7sA:77.78"],["2NNP_A_ROCA401_1","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;THR A  80;PRO A  81;VAL A  82","None","0.72A","2nnpA-3uhlA:15.9","2nnpA-3uhlA:81.82"],["2NNP_A_ROCA401_1","3wia","Geobacillus kaustophilus","NITRITE REDUCTASE","PF07731(Cu-oxidase_2);PF07732(Cu-oxidase_3)",5,"GLY A 302;ALA A 303;GLY A 210;ILE A  54;PRO A 237","None","0.83A","2nnpA-3wiaA:undetectable","2nnpA-3wiaA:17.13"],["2NNP_A_ROCA401_1","3wkq","Geobacillus thermodenitrificans","NITRITE REDUCTASE","PF07731(Cu-oxidase_2);PF07732(Cu-oxidase_3)",5,"GLY A 302;ALA A 303;GLY A 210;ILE A  54;PRO A 237","MPD A 418 (-3.8A);None;None;None;None","0.83A","2nnpA-3wkqA:undetectable","2nnpA-3wkqA:16.10"],["2NNP_A_ROCA401_1","3zwf","Homo sapiens","ZINC PHOSPHODIESTERASE ELAC PROTEIN 1","PF00753(Lactamase_B);PF12706(Lactamase_B_2)",5,"GLY A 188;ALA A 177;ILE A 156;GLY A  95;ILE A  60","None","0.92A","2nnpA-3zwfA:undetectable","2nnpA-3zwfA:14.37"],["2NNP_A_ROCA401_1","3zyy","Carboxydothermus hydrogenoformans","IRON-SULFUR CLUSTER BINDING PROTEIN","PF00111(Fer2);PF14574(DUF4445)",5,"GLY X 577;ALA X 578;GLY X 355;ILE X 357;VAL X 219","None","0.91A","2nnpA-3zyyX:undetectable","2nnpA-3zyyX:10.76"],["2NNP_A_ROCA401_1","3zyy","Carboxydothermus hydrogenoformans","IRON-SULFUR CLUSTER BINDING PROTEIN","PF00111(Fer2);PF14574(DUF4445)",5,"GLY X 577;ALA X 578;ILE X 345;GLY X 355;ILE X 357","None","0.80A","2nnpA-3zyyX:undetectable","2nnpA-3zyyX:10.76"],["2NNP_A_ROCA401_1","4c1n","Carboxydothermus hydrogenoformans","IRON-SULFUR CLUSTER BINDING PROTEIN","PF14574(DUF4445)",5,"GLY I 577;ALA I 578;ILE I 345;GLY I 355;ILE I 357","None","0.88A","2nnpA-4c1nI:undetectable","2nnpA-4c1nI:12.25"],["2NNP_A_ROCA401_1","4ee8","Streptomyces cinnamonensis","PRENYLTRANSFERASE","PF11468(PTase_Orf2)",5,"ASP A 165;ASP A  60;GLY A 113;THR A  82;PRO A  83","None","0.95A","2nnpA-4ee8A:undetectable","2nnpA-4ee8A:17.47"],["2NNP_A_ROCA401_1","4eqv","Saccharomyces cerevisiae","INVERTASE 2","PF00251(Glyco_hydro_32N);PF08244(Glyco_hydro_32C)",5,"ASP A 261;GLY A 263;ASP A 265;ILE A 464;PRO A 333","None","0.89A","2nnpA-4eqvA:undetectable","2nnpA-4eqvA:12.37"],["2NNP_A_ROCA401_1","4ilk","Escherichia coli","STARVATION SENSING PROTEIN RSPB","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 206;ALA A 207;ASP A 208;ILE A 190;ILE A 176","None","0.95A","2nnpA-4ilkA:undetectable","2nnpA-4ilkA:17.57"],["2NNP_A_ROCA401_1","4jga","Rickettsia rickettsii","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C)",5,"GLY A 276;ALA A 301;ASP A 304;ILE A 273;ILE A 184","None","0.93A","2nnpA-4jgaA:undetectable","2nnpA-4jgaA:13.27"],["2NNP_A_ROCA401_1","4kws","Chromohalobacter salexigens","D-MANNONATE DEHYDRATASE","PF02746(MR_MLE_N);PF13378(MR_MLE_C)",5,"GLY A  34;ILE A  88;GLY A 294;ILE A 295;THR A  68","None","0.86A","2nnpA-4kwsA:undetectable","2nnpA-4kwsA:15.93"],["2NNP_A_ROCA401_1","4lq0","Leptographium truncatum","LAGLIDADG HOMING ENDONUCLEASE","PF00961(LAGLIDADG_1)",5,"ASP A  53;GLY A 262;ILE A  15;GLY A 176;ILE A 178","None","0.93A","2nnpA-4lq0A:undetectable","2nnpA-4lq0A:16.07"],["2NNP_A_ROCA401_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"ASP A  25;ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81","RIT A 500 (-2.4A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);RIT A 500 (-4.8A);None;RIT A 500 (-3.9A)","0.81A","2nnpA-4njvA:20.4","2nnpA-4njvA:83.84"],["2NNP_A_ROCA401_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;THR A  80;PRO A  81","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)","0.49A","2nnpA-4njvA:20.4","2nnpA-4njvA:83.84"],["2NNP_A_ROCA401_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  47;GLY A  49;ILE A  50;THR A  80","RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 ( 4.5A);RIT A 500 (-3.4A);RIT A 500 (-4.3A);None","0.56A","2nnpA-4njvA:20.4","2nnpA-4njvA:83.84"],["2NNP_A_ROCA401_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",8,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  47;GLY A  49;THR A  80;PRO A  81","RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 ( 4.5A);RIT A 500 (-3.4A);None;RIT A 500 (-3.9A)","0.63A","2nnpA-4njvA:20.4","2nnpA-4njvA:83.84"],["2NNP_A_ROCA401_1","4odj","Cryptosporidium hominis","S-ADENOSYLMETHIONINE SYNTHASE","PF00438(S-AdoMet_synt_N);PF02772(S-AdoMet_synt_M);PF02773(S-AdoMet_synt_C)",5,"GLY A 268;ASP A  40;GLY A  33;THR A  91;VAL A  88","None","0.93A","2nnpA-4odjA:undetectable","2nnpA-4odjA:15.85"],["2NNP_A_ROCA401_1","4q6k","Bacteroides caccae","BNR\/ASP-BOX REPEAT PROTEIN","PF13088(BNR_2);PF14873(BNR_assoc_N)",5,"ALA A 127;ILE A 133;THR A 111;PRO A 112;VAL A 113","None;EDO A 609 (-4.8A);None;None;None","0.94A","2nnpA-4q6kA:undetectable","2nnpA-4q6kA:11.65"],["2NNP_A_ROCA401_1","4ttp","Legionella pneumophila","DEPHOSPHO-COA KINASE","PF01121(CoaE)",5,"ALA A 175;ASP A 176;ASP A 177;GLY A  12;ILE A 118","None","0.85A","2nnpA-4ttpA:undetectable","2nnpA-4ttpA:18.04"],["2NNP_A_ROCA401_1","4w6v","Yersinia enterocolitica","DI-\/TRIPEPTIDE TRANSPORTER","PF00854(PTR2)",5,"GLY A 181;ILE A 107;GLY A 187;ILE A 188;PRO A  39","None","0.93A","2nnpA-4w6vA:undetectable","2nnpA-4w6vA:14.29"],["2NNP_A_ROCA401_1","4xib","Homo sapiens","E3 UBIQUITIN-PROTEIN LIGASE MIB1","PF00569(ZZ);PF06701(MIB_HERC2)",5,"GLY A 154;ALA A 155;ASP A 220;GLY A 223;VAL A 207","None","0.83A","2nnpA-4xibA:undetectable","2nnpA-4xibA:13.71"],["2NNP_A_ROCA401_1","4xr9","Micromonospora echinospora","CALS8","PF00984(UDPG_MGDP_dh);PF03720(UDPG_MGDP_dh_C);PF03721(UDPG_MGDP_dh_N)",6,"ASP A 369;ALA A 372;ASP A 373;THR A 349;PRO A 350;VAL A 351","None","1.23A","2nnpA-4xr9A:undetectable","2nnpA-4xr9A:14.50"],["2NNP_A_ROCA401_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",5,"ASP A  32;GLY A  34;ALA A  35;ASP A  36;GLY A  58","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)","0.53A","2nnpA-4ydfA:13.1","2nnpA-4ydfA:31.30"],["2NNP_A_ROCA401_1","4zr8","Acinetobacter baumannii","UROPORPHYRINOGEN DECARBOXYLASE","PF01208(URO-D)",5,"GLY A 263;ALA A 264;ASP A 265;ILE A 204;PRO A 148","None","0.96A","2nnpA-4zr8A:undetectable","2nnpA-4zr8A:15.56"],["2NNP_A_ROCA401_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;ASP A  30;THR A  80;PRO A  81","None","0.75A","2nnpA-5b18A:17.6","2nnpA-5b18A:72.73"],["2NNP_A_ROCA401_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49","None","0.71A","2nnpA-5b18A:17.6","2nnpA-5b18A:72.73"],["2NNP_A_ROCA401_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;THR A  80","None","0.52A","2nnpA-5b18A:17.6","2nnpA-5b18A:72.73"],["2NNP_A_ROCA401_1","5h9u","Thermus thermophilus","S-ADENOSYLMETHIONINE SYNTHASE","no annotation",5,"GLY C 253;ASP C  22;GLY C  15;THR C  73;VAL C  70","None","0.94A","2nnpA-5h9uC:undetectable","2nnpA-5h9uC:13.81"],["2NNP_A_ROCA401_1","5inf","Streptomyces ambofaciens","CARBOXYL TRANSFERASE","PF01039(Carboxyl_trans)",5,"GLY A 431;ALA A 432;ASP A 433;ILE A 410;ILE A 361","None","0.95A","2nnpA-5infA:undetectable","2nnpA-5infA:14.76"],["2NNP_A_ROCA401_1","5odr","Methanothermococcus thermolithotrophicus","METHYL-VIOLOGEN REDUCING HYDROGENASE, SUBUNIT A;METHYL-VIOLOGEN REDUCING HYDROGENASE, SUBUNIT G","PF00374(NiFeSe_Hases);PF01058(Oxidored_q6)",5,"GLY F  14;ILE F  60;GLY F  62;ILE E  17;PRO F 374","None;None;None;None;NFU F 501 (-3.5A)","0.92A","2nnpA-5odrF:undetectable","2nnpA-5odrF:13.90"],["2NNP_A_ROCA401_1","5ohs","-","-","no annotation",5,"GLY A 454;GLY A 472;THR A 514;PRO A 515;VAL A 516","None","0.74A","2nnpA-5ohsA:undetectable","2nnpA-5ohsA:undetectable"],["2NNP_A_ROCA401_1","5ovk","Mycolicibacterium smegmatis","3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG","no annotation",5,"GLY A 123;ALA A 124;ILE A 146;GLY A  98;ILE A  99","None;None;None;NDP A 301 (-4.5A);NDP A 301 ( 4.9A)","0.88A","2nnpA-5ovkA:undetectable","2nnpA-5ovkA:22.00"],["2NNP_A_ROCA401_1","5ovl","Mycolicibacterium smegmatis","3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG","no annotation",5,"GLY A 123;ALA A 124;ILE A 146;GLY A  98;ILE A  99","None;None;NAP A1001 (-4.6A);NAP A1001 (-3.4A);NAP A1001 (-4.5A)","0.87A","2nnpA-5ovlA:undetectable","2nnpA-5ovlA:20.00"],["2NNP_A_ROCA401_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  47;GLY A  49;ILE A  50;THR A  80","None","0.64A","2nnpA-5t2zA:19.7","2nnpA-5t2zA:79.80"],["2NNP_A_ROCA401_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  47;GLY A  49;THR A  80;PRO A  81","None","0.67A","2nnpA-5t2zA:19.7","2nnpA-5t2zA:79.80"],["2NNP_A_ROCA401_1","5u1w","Ailuropoda melanoleuca","P2X PURINOCEPTOR","PF00864(P2X_receptor)",6,"GLY A 117;ILE A 170;GLY A 146;ILE A 147;THR A 161;VAL A 153","None","1.22A","2nnpA-5u1wA:undetectable","2nnpA-5u1wA:15.63"],["2NNP_A_ROCA401_1","5usw","Aliivibrio fischeri","DIHYDROPTEROATE SYNTHASE","PF00809(Pterin_bind)",6,"GLY A 110;ALA A 111;ASP A 112;ILE A  81;THR A  97;VAL A 102","None","1.33A","2nnpA-5uswA:undetectable","2nnpA-5uswA:15.47"],["2NNP_A_ROCA401_1","5wug","Paenibacillus barengoltzii","BETA-GLUCOSIDASE","no annotation",5,"ALA A  43;ILE A 235;GLY A 232;ILE A 588;THR A 584","None","0.90A","2nnpA-5wugA:undetectable","2nnpA-5wugA:20.18"],["2NNP_A_ROCA401_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58;VAL A  99","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","0.55A","2nnpA-6fivA:15.1","2nnpA-6fivA:30.58"],["2NNP_A_ROCA401_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"ASP A  25;ALA A  28;ASP A  29;ASP A  30;GLY A  48;THR A  80;PRO A  81","NIU A 100 (-2.8A);NIU A 100 (-3.6A);None;None;None;None;None","0.97A","2nnpA-6upjA:17.5","2nnpA-6upjA:48.48"],["2NNP_A_ROCA401_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;THR A  80","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);None","0.85A","2nnpA-6upjA:17.5","2nnpA-6upjA:48.48"],["2NNP_A_ROCA401_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;THR A  80;PRO A  81","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;None;None","0.45A","2nnpA-6upjA:17.5","2nnpA-6upjA:48.48"],["2NNP_A_ROCA401_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"GLY A  27;ASP A  29;ASP A  30;GLY A  49;ILE A  50;THR A  80","NIU A 100 (-4.5A);None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","1.03A","2nnpA-6upjA:17.5","2nnpA-6upjA:48.48"]]