SIMILAR PATTERNS OF AMINO ACIDS FOR 3NU4_B_478B401_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

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

Filter list by:

	Hit	Macromolecule/ Organism	Pfam	Res.	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	LEU E 30 ASP E 32 GLY E 34 ASP E 37 ILE E 120	None	0.53A	3nu4B-1cziE: 6.6	3nu4B-1cziE: 17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1deu	PROCATHEPSIN X (Homo sapiens)	PF00112 (Peptidase_C1)	6	LEU A 57 GLY A 87 ALA A 83 ASP A 81 GLY A 130 ILE A 241	None	1.28A	3nu4B-1deuA: undetectable	3nu4B-1deuA: 16.42
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.	1ek6	UDP-GALACTOSE 4-EPIMERASE (Homo sapiens)	PF16363 (GDP_Man_Dehyd)	5	LEU A 68 GLY A 90 ALA A 89 ILE A 164 ILE A 67	None NAI A 400 (-4.1A) NAI A 400 (-3.7A) None NAI A 400 (-3.8A)	0.77A	3nu4B-1ek6A: undetectable	3nu4B-1ek6A: 14.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A)	1.22A	3nu4B-1hvcA: 13.6	3nu4B-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)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A)	1.22A	3nu4B-1hvcA: 13.6	3nu4B-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)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 30 ILE A 84 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 ( 4.9A) A79 A 800 (-3.8A) A79 A 800 (-3.6A)	1.13A	3nu4B-1hvcA: 13.6	3nu4B-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)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 30 ILE A 84 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 ( 4.7A) A79 A 800 (-3.6A) A79 A 800 (-3.8A)	1.17A	3nu4B-1hvcA: 13.6	3nu4B-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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 GLY A 49 ILE A 50 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 ( 4.9A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 (-3.6A)	0.41A	3nu4B-1hvcA: 13.6	3nu4B-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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 GLY A 49 ILE A 50 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 ( 4.7A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A) A79 A 800 (-3.8A)	0.44A	3nu4B-1hvcA: 13.6	3nu4B-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.	1ig8	HEXOKINASE PII (Saccharomyces cerevisiae)	PF00349 (Hexokinase_1) PF03727 (Hexokinase_2)	5	LEU A 41 GLY A 399 ALA A 401 ILE A 453 ILE A 438	None	0.89A	3nu4B-1ig8A: undetectable	3nu4B-1ig8A: 11.72
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.	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	0.86A	3nu4B-1kaeA: undetectable	3nu4B-1kaeA: 11.37
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.	1kng	THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY (Bradyrhizobium japonicum)	PF08534 (Redoxin)	5	LEU A 57 ASP A 142 GLY A 145 GLY A 152 ILE A 116	None	0.89A	3nu4B-1kngA: undetectable	3nu4B-1kngA: 23.81
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.	1l5j	ACONITATE HYDRATASE 2 (Escherichia coli)	PF00330 (Aconitase) PF06434 (Aconitase_2_N) PF11791 (Aconitase_B_N)	5	GLY A 721 ALA A 720 GLY A 715 ILE A 714 ILE A 707	None	0.78A	3nu4B-1l5jA: undetectable	3nu4B-1l5jA: 9.38
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.	1mpp	PEPSIN (Rhizomucor pusillus)	PF00026 (Asp)	5	ASP A 215 GLY A 217 ILE A 222 GLY A 76 ILE A 300	None	0.88A	3nu4B-1mppA: 7.0	3nu4B-1mppA: 14.13
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.	1mpp	PEPSIN (Rhizomucor pusillus)	PF00026 (Asp)	5	LEU A 30 ASP A 32 GLY A 34 ASP A 37 ILE A 120	None	0.73A	3nu4B-1mppA: 7.0	3nu4B-1mppA: 14.13
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.	1q5a	EP-CADHERIN (Mus musculus)	PF00028 (Cadherin)	5	GLY A 42 ALA A 43 ILE A 53 ILE A 96 ILE A 38	None	0.22A	3nu4B-1q5aA: undetectable	3nu4B-1q5aA: 8.78
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)	5	ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 84	None	0.48A	3nu4B-1q9pA: 10.2	3nu4B-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)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.23A	3nu4B-1sivA: 18.2	3nu4B-1sivA: 51.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 32 GLY A 49 ILE A 50 ILE A 84	None	0.48A	3nu4B-1sivA: 18.2	3nu4B-1sivA: 51.52
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.	1to6	GLYCERATE KINASE (Neisseria meningitidis)	PF02595 (Gly_kinase)	5	GLY A 244 ALA A 243 ILE A 259 GLY A 250 ILE A 143	SO4 A 373 (-3.5A) SO4 A 373 ( 4.2A) None None None	0.87A	3nu4B-1to6A: undetectable	3nu4B-1to6A: 16.03
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.	1vgw	4-DIPHOSPHOCYTIDYL-2 C-METHYL-D-ERYTHRITO L SYNTHASE (Neisseria gonorrhoeae)	PF01128 (IspD)	5	GLY A 173 ALA A 172 ASP A 103 ILE A 6 ILE A 105	None	0.82A	3nu4B-1vgwA: undetectable	3nu4B-1vgwA: 18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1y7w	HALOTOLERANT ALPHA-TYPE CARBONIC ANHYDRASE (DCA II) (Dunaliella salina)	PF00194 (Carb_anhydrase)	5	GLY A 211 ALA A 210 ILE A 125 GLY A 155 ILE A 41	None	0.71A	3nu4B-1y7wA: undetectable	3nu4B-1y7wA: 13.45
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.	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	0.64A	3nu4B-2bc0A: undetectable	3nu4B-2bc0A: 12.30
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.	2dws	COPPER-CONTAINING NITRITE REDUCTASE (Rhodobacter sphaeroides)	PF00394 (Cu-oxidase) PF07732 (Cu-oxidase_3)	5	LEU A 90 GLY A 254 ALA A 255 GLY A 347 ILE A 250	None	0.84A	3nu4B-2dwsA: undetectable	3nu4B-2dwsA: 16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2ewn	BIRA BIFUNCTIONAL PROTEIN (Escherichia coli)	PF02237 (BPL_C) PF03099 (BPL_LplA_LipB) PF08279 (HTH_11)	5	GLY A 186 ALA A 185 GLY A 154 ILE A 153 ILE A 207	BTX A 501 (-3.3A) None None None None	0.79A	3nu4B-2ewnA: undetectable	3nu4B-2ewnA: 16.25
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.	2fja	ADENYLYLSULFATE REDUCTASE, SUBUNIT A (Archaeoglobus fulgidus)	PF00890 (FAD_binding_2) PF02910 (Succ_DH_flav_C)	5	LEU A 54 GLY A 36 ALA A 37 GLY A 438 ILE A 27	None None None FAD A1000 (-3.5A) None	0.90A	3nu4B-2fjaA: undetectable	3nu4B-2fjaA: 10.17
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	ASP A 25 GLY A 27 ALA A 28 GLY A 54 ILE A 89	LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) LP1 A 201 (-4.2A)	0.70A	3nu4B-2fmbA: 14.8	3nu4B-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)	6	LEU A 23 ASP A 25 GLY A 27 ALA A 28 GLY A 55 ILE A 89	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.4A) LP1 A 201 (-4.2A)	0.29A	3nu4B-2fmbA: 14.8	3nu4B-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.	2i14	NICOTINATE-NUCLEOTID E PYROPHOSPHORYLASE (Pyrococcus furiosus)	PF01729 (QRPTase_C) PF02749 (QRPTase_N)	6	GLY A 290 ALA A 291 ASP A 272 ILE A 276 GLY A 269 ILE A 122	PCP A 392 (-3.6A) None None None PCP A 392 ( 4.1A) None	1.27A	3nu4B-2i14A: undetectable	3nu4B-2i14A: 13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2nlx	XYLULOSE KINASE (Escherichia coli)	PF00370 (FGGY_N) PF02782 (FGGY_C)	6	LEU A 17 GLY A 427 ALA A 425 ASP A 6 GLY A 420 ILE A 15	None	1.43A	3nu4B-2nlxA: undetectable	3nu4B-2nlxA: 11.16
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.	2nnj	CYTOCHROME P450 2C8 (Homo sapiens)	PF00067 (p450)	5	ALA A 436 ILE A 113 GLY A 298 ILE A 178 ILE A 112	HEM A 500 (-3.7A) 225 A 501 ( 4.3A) HEM A 500 (-3.4A) None HEM A 500 (-4.1A)	0.87A	3nu4B-2nnjA: undetectable	3nu4B-2nnjA: 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.	2oer	PROBABLE TRANSCRIPTIONAL REGULATOR (Pseudomonas aeruginosa)	PF00440 (TetR_N)	5	LEU A 23 GLY A 53 ALA A 52 ILE A 56 ILE A 27	None	0.88A	3nu4B-2oerA: undetectable	3nu4B-2oerA: 18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2ri6	2-HYDROXY-6-OXO-6-PH ENYLHEXA-2,4-DIENOAT E HYDROLASE (Paraburkholderia xenovorans)	PF12697 (Abhydrolase_6)	5	LEU A 283 GLY A 63 ALA A 62 GLY A 57 ILE A 280	None	0.74A	3nu4B-2ri6A: undetectable	3nu4B-2ri6A: 16.49
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)	5	ALA A 28 ASP A 30 ILE A 32 GLY A 48 ILE A 84	AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 (-4.5A) AB1 A 501 (-4.2A) AB1 A 501 ( 4.2A)	0.90A	3nu4B-2rkfA: 19.9	3nu4B-2rkfA: 83.84
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)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None AB1 A 501 (-2.4A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A)	1.35A	3nu4B-2rkfA: 19.9	3nu4B-2rkfA: 83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 32 GLY A 49 ILE A 50 ILE A 84	None AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 (-4.5A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 ( 4.2A)	0.46A	3nu4B-2rkfA: 19.9	3nu4B-2rkfA: 83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	6	LEU A 35 ASP A 37 GLY A 39 ALA A 40 ILE A 44 ILE A 108	None	0.38A	3nu4B-2rspA: 12.7	3nu4B-2rspA: 34.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2wsk	GLYCOGEN DEBRANCHING ENZYME (Escherichia coli)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	5	LEU A 188 GLY A 255 ALA A 254 ILE A 248 ILE A 185	None	0.81A	3nu4B-2wskA: undetectable	3nu4B-2wskA: 9.01
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.	2yfq	NAD-SPECIFIC GLUTAMATE DEHYDROGENASE (Peptoniphilus asaccharolyticus)	PF00208 (ELFV_dehydrog) PF02812 (ELFV_dehydrog_N)	6	LEU A 317 ALA A 213 ASP A 212 GLY A 236 ILE A 231 ILE A 208	None	1.25A	3nu4B-2yfqA: undetectable	3nu4B-2yfqA: 14.01
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.	3a2q	6-AMINOHEXANOATE-CYC LIC-DIMER HYDROLASE (Arthrobacter sp. KI72)	PF01425 (Amidase)	6	GLY A 283 ALA A 284 ILE A 453 GLY A 450 ILE A 449 ILE A 385	None	1.34A	3nu4B-3a2qA: undetectable	3nu4B-3a2qA: 10.91
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.	3ak5	HEMOGLOBIN-BINDING PROTEASE HBP (Escherichia coli)	PF02395 (Peptidase_S6)	6	GLY A 248 ALA A 249 ILE A 81 GLY A 220 ILE A 252 ILE A 83	None	1.43A	3nu4B-3ak5A: undetectable	3nu4B-3ak5A: 7.11
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.	3b48	UNCHARACTERIZED PROTEIN (Enterococcus faecalis)	PF03610 (EIIA-man)	5	LEU A 65 GLY A 102 ALA A 103 ILE A 33 ILE A 5	None	0.77A	3nu4B-3b48A: undetectable	3nu4B-3b48A: 24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3b48	UNCHARACTERIZED PROTEIN (Enterococcus faecalis)	PF03610 (EIIA-man)	5	LEU A 65 GLY A 102 ILE A 33 ILE A 108 ILE A 5	None	0.87A	3nu4B-3b48A: undetectable	3nu4B-3b48A: 24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3cf4	ACETYL-COA DECARBOXYLASE/SYNTHA SE ALPHA SUBUNIT (Methanosarcina barkeri)	PF03063 (Prismane)	5	ALA A 436 ASP A 432 ILE A 431 ILE A 469 ILE A 451	None None SF4 A 813 ( 4.3A) SF4 A 814 ( 4.4A) None	0.87A	3nu4B-3cf4A: undetectable	3nu4B-3cf4A: 9.12
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.	3e4e	CYTOCHROME P450 2E1 (Homo sapiens)	PF00067 (p450)	5	ALA A 438 ILE A 115 GLY A 300 ILE A 180 ILE A 114	HEM A 500 (-3.8A) HEM A 500 (-4.0A) HEM A 500 (-3.4A) None HEM A 500 (-4.0A)	0.80A	3nu4B-3e4eA: undetectable	3nu4B-3e4eA: 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.	3gf7	GLUTACONYL-COA DECARBOXYLASE SUBUNIT A ([Clostridium] symbiosum)	PF01039 (Carboxyl_trans)	5	LEU A 148 GLY A 191 ALA A 213 GLY A 256 ILE A 189	None	0.87A	3nu4B-3gf7A: undetectable	3nu4B-3gf7A: 10.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3hkz	DNA-DIRECTED RNA POLYMERASE SUBUNIT A' (Sulfolobus solfataricus)	PF00623 (RNA_pol_Rpb1_2) PF04983 (RNA_pol_Rpb1_3) PF04997 (RNA_pol_Rpb1_1) PF04998 (RNA_pol_Rpb1_5) PF05000 (RNA_pol_Rpb1_4)	5	GLY A 712 ALA A 711 ILE A 665 GLY A 748 ILE A 661	None	0.84A	3nu4B-3hkzA: undetectable	3nu4B-3hkzA: 8.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3k2w	BETAINE-ALDEHYDE DEHYDROGENASE (Pseudoalteromonas atlantica)	PF00171 (Aldedh)	5	LEU A 76 GLY A 200 ALA A 199 ILE A 83 GLY A 193	None	0.89A	3nu4B-3k2wA: undetectable	3nu4B-3k2wA: 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.	3kl7	PUTATIVE METAL-DEPENDENT HYDROLASE (Parabacteroides distasonis)	PF13483 (Lactamase_B_3)	5	LEU A 156 GLY A 153 ASP A 120 ILE A 77 ILE A 130	None	0.83A	3nu4B-3kl7A: undetectable	3nu4B-3kl7A: 16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3l49	ABC SUGAR (RIBOSE) TRANSPORTER, PERIPLASMIC SUBSTRATE-BINDING SUBUNIT (Rhodobacter sphaeroides)	PF13407 (Peripla_BP_4)	5	LEU A 105 ILE A 113 GLY A 35 ILE A 36 ILE A 108	None	0.89A	3nu4B-3l49A: undetectable	3nu4B-3l49A: 17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3mdo	PUTATIVE PHOSPHORIBOSYLFORMYL GLYCINAMIDINE CYCLO-LIGASE (Parabacteroides distasonis)	PF02769 (AIRS_C)	6	LEU A 251 GLY A 256 ALA A 255 ASP A 246 ILE A 319 ILE A 248	None	1.08A	3nu4B-3mdoA: undetectable	3nu4B-3mdoA: 16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3mwe	ATP-CITRATE SYNTHASE (Homo sapiens)	PF16114 (Citrate_bind)	5	LEU A 301 GLY A 296 ILE A 337 GLY A 416 ILE A 275	None	0.90A	3nu4B-3mweA: undetectable	3nu4B-3mweA: 12.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.26A	3nu4B-3mwsA: 19.2	3nu4B-3mwsA: 78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 84	None	0.52A	3nu4B-3mwsA: 19.2	3nu4B-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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 GLY A 49 ILE A 50 ILE A 84	None	0.38A	3nu4B-3mwsA: 19.2	3nu4B-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.	3noy	4-HYDROXY-3-METHYLBU T-2-EN-1-YL DIPHOSPHATE SYNTHASE (Aquifex aeolicus)	PF04551 (GcpE)	5	LEU A 198 GLY A 201 ILE A 23 GLY A 220 ILE A 221	None	0.79A	3nu4B-3noyA: undetectable	3nu4B-3noyA: 15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3okf	3-DEHYDROQUINATE SYNTHASE (Vibrio cholerae)	PF01761 (DHQ_synthase)	5	LEU A 298 ALA A 280 ILE A 194 GLY A 250 ILE A 297	None	0.87A	3nu4B-3okfA: undetectable	3nu4B-3okfA: 15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3one	ADENOSYLHOMOCYSTEINA SE (Lupinus luteus)	PF00670 (AdoHcyase_NAD) PF05221 (AdoHcyase)	5	GLY A 269 ALA A 268 ILE A 331 ILE A 348 ILE A 330	NAD A 501 (-3.6A) NAD A 501 ( 4.8A) None NAD A 501 (-4.4A) NAD A 501 (-4.8A)	0.87A	3nu4B-3oneA: undetectable	3nu4B-3oneA: 12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3qom	6-PHOSPHO-BETA-GLUCO SIDASE (Lactobacillus plantarum)	PF00232 (Glyco_hydro_1)	5	GLY A 191 ILE A 39 GLY A 198 ILE A 199 ILE A 51	None	0.85A	3nu4B-3qomA: undetectable	3nu4B-3qomA: 10.49
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.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	5	LEU A 30 ASP A 32 GLY A 34 ALA A 35 GLY A 56	None 3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) 3TL A 126 (-3.4A)	0.28A	3nu4B-3slzA: 11.4	3nu4B-3slzA: 25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3t2y	SULFIDE-QUINONE REDUCTASE, PUTATIVE (Acidithiobacillus ferrooxidans)	PF07992 (Pyr_redox_2)	5	LEU A 7 GLY A 106 ALA A 303 GLY A 281 ILE A 103	FAD A 500 (-4.7A) FAD A 500 (-3.1A) None None None	0.71A	3nu4B-3t2yA: undetectable	3nu4B-3t2yA: 12.88
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)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	1.38A	3nu4B-3t3cA: 18.0	3nu4B-3t3cA: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	0.36A	3nu4B-3t3cA: 18.0	3nu4B-3t3cA: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-3.0A) 017 A 201 (-3.3A)	1.25A	3nu4B-3ttpA: 19.0	3nu4B-3ttpA: 77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 32 GLY A 49 ILE A 50 ILE A 84	None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-4.6A) None 017 A 201 (-3.0A) 017 A 201 (-3.3A) 017 A 201 (-4.7A)	0.48A	3nu4B-3ttpA: 19.0	3nu4B-3ttpA: 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)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None 017 A 202 ( 2.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A)	1.28A	3nu4B-3u7sA: 19.5	3nu4B-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)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 32 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 ( 4.0A) None 017 A 202 (-2.9A) 017 A 201 ( 3.5A)	0.26A	3nu4B-3u7sA: 19.5	3nu4B-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)	5	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ILE A 32	None	0.25A	3nu4B-3uhlA: 16.1	3nu4B-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.	4bc5	XYLULOSE KINASE (Homo sapiens)	PF00370 (FGGY_N) PF02782 (FGGY_C)	6	LEU A 449 GLY A 441 ALA A 442 ILE A 412 GLY A 339 ILE A 448	None	1.37A	3nu4B-4bc5A: undetectable	3nu4B-4bc5A: 11.52
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.	4il5	CYSTEINE SYNTHASE (Entamoeba histolytica)	PF00291 (PALP)	6	LEU A 75 GLY A 97 ALA A 96 ILE A 65 GLY A 90 ILE A 106	None	1.25A	3nu4B-4il5A: undetectable	3nu4B-4il5A: 17.80
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.	4inj	LMO1638 PROTEIN (Listeria monocytogenes)	PF02016 (Peptidase_S66)	5	LEU A 162 ALA A 309 GLY A 306 ILE A 305 ILE A 321	None	0.84A	3nu4B-4injA: undetectable	3nu4B-4injA: 15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4jn6	ACETALDEHYDE DEHYDROGENASE (Mycobacterium tuberculosis)	PF01118 (Semialdhyde_dh) PF09290 (AcetDehyd-dimer)	5	GLY B 187 ILE B 206 GLY B 182 ILE B 181 ILE B 150	None	0.89A	3nu4B-4jn6B: undetectable	3nu4B-4jn6B: 15.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None RIT A 500 (-2.4A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-3.4A) RIT A 500 (-4.3A)	1.26A	3nu4B-4njvA: 19.5	3nu4B-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)	6	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-4.8A) RIT A 500 (-4.3A)	0.46A	3nu4B-4njvA: 19.5	3nu4B-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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 GLY A 49 ILE A 50 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.4A) RIT A 500 (-4.3A) RIT A 500 (-4.3A)	0.33A	3nu4B-4njvA: 19.5	3nu4B-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.	4ose	PUTATIVE HYDROLASE (Rickettsia typhi)	PF00561 (Abhydrolase_1)	5	ALA A 122 ILE A 234 GLY A 115 ILE A 116 ILE A 230	None	0.84A	3nu4B-4oseA: undetectable	3nu4B-4oseA: 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.	4qpn	PROTEIN-LYSINE METHYLTRANSFERASE METTL21B (Homo sapiens)	PF10294 (Methyltransf_16)	5	LEU A 109 GLY A 83 ALA A 84 ILE A 80 ILE A 112	None SAH A 301 (-3.6A) None None None	0.73A	3nu4B-4qpnA: undetectable	3nu4B-4qpnA: 20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4rgh	PROTEIN DDI1 HOMOLOG 2 (Homo sapiens)	PF09668 (Asp_protease)	5	ASP A 220 GLY A 222 ALA A 223 ILE A 227 GLY A 252	None	0.84A	3nu4B-4rghA: 10.5	3nu4B-4rghA: 18.93
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.	4xib	E3 UBIQUITIN-PROTEIN LIGASE MIB1 (Homo sapiens)	PF00569 (ZZ) PF06701 (MIB_HERC2)	6	LEU A 215 GLY A 154 ALA A 155 ASP A 220 GLY A 223 ILE A 151	None	1.45A	3nu4B-4xibA: undetectable	3nu4B-4xibA: 14.52
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	LEU A 30 ASP A 32 GLY A 34 ALA A 35 GLY A 58 ILE A 100	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-3.4A) 4B1 A 201 (-4.8A)	0.48A	3nu4B-4ydfA: 12.6	3nu4B-4ydfA: 32.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4yo1	DEGQ (Legionella pneumophila)	PF13180 (PDZ_2) PF13365 (Trypsin_2)	5	LEU A 112 GLY A 192 ILE A 69 ILE A 202 ILE A 77	None	0.88A	3nu4B-4yo1A: undetectable	3nu4B-4yo1A: 16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5a8r	METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA (Methanothermobacter marburgensis)	PF02241 (MCR_beta) PF02783 (MCR_beta_N)	5	LEU B 18 GLY B 435 ALA B 436 ILE B 8 ILE B 217	None	0.80A	3nu4B-5a8rB: undetectable	3nu4B-5a8rB: 13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5b0h	LEUKOCYTE CELL-DERIVED CHEMOTAXIN-2 (Homo sapiens)	PF01551 (Peptidase_M23)	5	GLY A 99 ALA A 50 ILE A 56 GLY A 103 ILE A 96	None	0.86A	3nu4B-5b0hA: undetectable	3nu4B-5b0hA: 20.28
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 30 GLY A 49 ILE A 84	None	0.90A	3nu4B-5b18A: 18.0	3nu4B-5b18A: 74.75
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 30 ILE A 32 ILE A 84	None	0.18A	3nu4B-5b18A: 18.0	3nu4B-5b18A: 74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5cr9	ABC-TYPE FE3+-HYDROXAMATE TRANSPORT SYSTEM, PERIPLASMIC COMPONENT (Saccharomonospora viridis)	PF01497 (Peripla_BP_2)	5	GLY A 86 ALA A 85 ILE A 124 GLY A 134 ILE A 119	None	0.90A	3nu4B-5cr9A: undetectable	3nu4B-5cr9A: 17.71
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.	5cw2	PUTATIVE EPOXIDE HYDROLASE EPHA (Mycolicibacterium thermoresistibile)	no annotation	5	LEU C 315 GLY C 53 ALA C 52 ILE C 46 ILE C 312	None	0.78A	3nu4B-5cw2C: undetectable	3nu4B-5cw2C: 15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5eum	LIPID A EXPORT ATP-BINDING/PERMEASE PROTEIN MSBA (Haemophilus influenzae)	PF00005 (ABC_tran)	5	LEU A 544 ALA A 541 ILE A 553 GLY A 381 ILE A 547	MLI A 609 (-3.9A) None None None None	0.91A	3nu4B-5eumA: undetectable	3nu4B-5eumA: 19.67
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.	5g5g	PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT (Escherichia coli)	PF00111 (Fer2) PF01799 (Fer2_2)	5	GLY A 211 ALA A 212 ASP A 154 GLY A 159 ILE A 216	None None None FES A 230 (-4.2A) None	0.86A	3nu4B-5g5gA: undetectable	3nu4B-5g5gA: 23.12
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.	5hdm	GLUTAMATE-1-SEMIALDE HYDE 2,1-AMINOMUTASE 1, CHLOROPLASTIC (Arabidopsis thaliana)	PF00202 (Aminotran_3)	6	LEU A 242 GLY A 286 ASP A 246 ILE A 211 GLY A 130 ILE A 244	None None PMP A 500 (-2.8A) None None None	1.24A	3nu4B-5hdmA: undetectable	3nu4B-5hdmA: 13.30
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.	5ikz	OXALATE BIOSYNTHETIC COMPONENT 1 (Burkholderia thailandensis)	PF05853 (BKACE)	5	LEU A 460 GLY A 471 ASP A 468 ILE A 465 ILE A 515	None	0.90A	3nu4B-5ikzA: undetectable	3nu4B-5ikzA: 6.53
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.	5il5	MLND (Bacillus velezensis)	PF14765 (PS-DH)	5	GLY A1310 ALA A1309 ILE A1278 ILE A1303 ILE A1341	None	0.70A	3nu4B-5il5A: undetectable	3nu4B-5il5A: 15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ldn	HEXON PROTEIN,HEXON CAPSID (Human mastadenovirus C)	PF01065 (Adeno_hexon) PF03678 (Adeno_hexon_C)	5	GLY A 220 ALA A 171 ILE A 215 GLY A 206 ILE A 205	None	0.84A	3nu4B-5ldnA: undetectable	3nu4B-5ldnA: 7.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5n3u	PHYCOCYANOBILIN LYASE SUBUNIT ALPHA (Nostoc sp. PCC 7120)	no annotation	5	ALA A 185 ILE A 164 GLY A 159 ILE A 158 ILE A 167	None	0.84A	3nu4B-5n3uA: undetectable	3nu4B-5n3uA: 21.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.26A	3nu4B-5t2zA: 19.7	3nu4B-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)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None	0.47A	3nu4B-5t2zA: 19.7	3nu4B-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.	5w4b	ADENOSYLHOMOCYSTEINA SE (Homo sapiens)	PF00670 (AdoHcyase_NAD) PF05221 (AdoHcyase)	5	GLY A 220 ALA A 219 ILE A 282 ILE A 299 ILE A 281	NAD A 501 ( 3.7A) None None NAD A 501 (-4.3A) NAD A 501 (-4.8A)	0.85A	3nu4B-5w4bA: undetectable	3nu4B-5w4bA: 14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5zgb	PSAL (Cyanidioschyzon merolae)	no annotation	5	LEU L 89 GLY L 51 ALA L 125 ILE L 83 ILE L 86	BCR L 205 (-3.7A) None None None None	0.87A	3nu4B-5zgbL: undetectable	3nu4B-5zgbL: 23.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	LEU A 28 ASP A 30 GLY A 32 ALA A 33 ILE A 37 GLY A 58	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 ( 4.8A) 3TL A 201 (-3.4A)	0.39A	3nu4B-6fivA: 15.6	3nu4B-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)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 32 GLY A 49 ILE A 50 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.77A	3nu4B-6upjA: 17.3	3nu4B-6upjA: 50.51

[["3NU4_B_478B401_2","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"LEU E  30;ASP E  32;GLY E  34;ASP E  37;ILE E 120","None","0.53A","3nu4B-1cziE:6.6","3nu4B-1cziE:17.07"],["3NU4_B_478B401_2","1deu","Homo sapiens","PROCATHEPSIN X","PF00112(Peptidase_C1)",6,"LEU A  57;GLY A  87;ALA A  83;ASP A  81;GLY A 130;ILE A 241","None","1.28A","3nu4B-1deuA:undetectable","3nu4B-1deuA:16.42"],["3NU4_B_478B401_2","1ek6","Homo sapiens","UDP-GALACTOSE 4-EPIMERASE","PF16363(GDP_Man_Dehyd)",5,"LEU A  68;GLY A  90;ALA A  89;ILE A 164;ILE A  67","None;NAI A 400 (-4.1A);NAI A 400 (-3.7A);None;NAI A 400 (-3.8A)","0.77A","3nu4B-1ek6A:undetectable","3nu4B-1ek6A:14.16"],["3NU4_B_478B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A)","1.22A","3nu4B-1hvcA:13.6","3nu4B-1hvcA:46.31"],["3NU4_B_478B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A)","1.22A","3nu4B-1hvcA:13.6","3nu4B-1hvcA:46.31"],["3NU4_B_478B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;ILE A  84;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 ( 4.9A);A79 A 800 (-3.8A);A79 A 800 (-3.6A)","1.13A","3nu4B-1hvcA:13.6","3nu4B-1hvcA:46.31"],["3NU4_B_478B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;ILE A  84;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 ( 4.7A);A79 A 800 (-3.6A);A79 A 800 (-3.8A)","1.17A","3nu4B-1hvcA:13.6","3nu4B-1hvcA:46.31"],["3NU4_B_478B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;GLY A  49;ILE A  50;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 ( 4.9A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 (-3.6A)","0.41A","3nu4B-1hvcA:13.6","3nu4B-1hvcA:46.31"],["3NU4_B_478B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;GLY A  49;ILE A  50;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 ( 4.7A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A);A79 A 800 (-3.8A)","0.44A","3nu4B-1hvcA:13.6","3nu4B-1hvcA:46.31"],["3NU4_B_478B401_2","1ig8","Saccharomyces cerevisiae","HEXOKINASE PII","PF00349(Hexokinase_1);PF03727(Hexokinase_2)",5,"LEU A  41;GLY A 399;ALA A 401;ILE A 453;ILE A 438","None","0.89A","3nu4B-1ig8A:undetectable","3nu4B-1ig8A:11.72"],["3NU4_B_478B401_2","1kae","Escherichia coli","HISTIDINOL DEHYDROGENASE","PF00815(Histidinol_dh)",5,"GLY A 227;ALA A 228;ASP A 204;GLY A 196;ILE A 206","None","0.86A","3nu4B-1kaeA:undetectable","3nu4B-1kaeA:11.37"],["3NU4_B_478B401_2","1kng","Bradyrhizobium japonicum","THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY","PF08534(Redoxin)",5,"LEU A  57;ASP A 142;GLY A 145;GLY A 152;ILE A 116","None","0.89A","3nu4B-1kngA:undetectable","3nu4B-1kngA:23.81"],["3NU4_B_478B401_2","1l5j","Escherichia coli","ACONITATE HYDRATASE 2","PF00330(Aconitase);PF06434(Aconitase_2_N);PF11791(Aconitase_B_N)",5,"GLY A 721;ALA A 720;GLY A 715;ILE A 714;ILE A 707","None","0.78A","3nu4B-1l5jA:undetectable","3nu4B-1l5jA:9.38"],["3NU4_B_478B401_2","1mpp","Rhizomucor pusillus","PEPSIN","PF00026(Asp)",5,"ASP A 215;GLY A 217;ILE A 222;GLY A  76;ILE A 300","None","0.88A","3nu4B-1mppA:7.0","3nu4B-1mppA:14.13"],["3NU4_B_478B401_2","1mpp","Rhizomucor pusillus","PEPSIN","PF00026(Asp)",5,"LEU A  30;ASP A  32;GLY A  34;ASP A  37;ILE A 120","None","0.73A","3nu4B-1mppA:7.0","3nu4B-1mppA:14.13"],["3NU4_B_478B401_2","1q5a","Mus musculus","EP-CADHERIN","PF00028(Cadherin)",5,"GLY A  42;ALA A  43;ILE A  53;ILE A  96;ILE A  38","None","0.22A","3nu4B-1q5aA:undetectable","3nu4B-1q5aA:8.78"],["3NU4_B_478B401_2","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",5,"ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  84","None","0.48A","3nu4B-1q9pA:10.2","3nu4B-1q9pA:98.95"],["3NU4_B_478B401_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None","1.23A","3nu4B-1sivA:18.2","3nu4B-1sivA:51.52"],["3NU4_B_478B401_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  32;GLY A  49;ILE A  50;ILE A  84","None","0.48A","3nu4B-1sivA:18.2","3nu4B-1sivA:51.52"],["3NU4_B_478B401_2","1to6","Neisseria meningitidis","GLYCERATE KINASE","PF02595(Gly_kinase)",5,"GLY A 244;ALA A 243;ILE A 259;GLY A 250;ILE A 143","SO4 A 373 (-3.5A);SO4 A 373 ( 4.2A);None;None;None","0.87A","3nu4B-1to6A:undetectable","3nu4B-1to6A:16.03"],["3NU4_B_478B401_2","1vgw","Neisseria gonorrhoeae","4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL SYNTHASE","PF01128(IspD)",5,"GLY A 173;ALA A 172;ASP A 103;ILE A   6;ILE A 105","None","0.82A","3nu4B-1vgwA:undetectable","3nu4B-1vgwA:18.88"],["3NU4_B_478B401_2","1y7w","Dunaliella salina","HALOTOLERANT ALPHA-TYPE CARBONIC ANHYDRASE (DCA II)","PF00194(Carb_anhydrase)",5,"GLY A 211;ALA A 210;ILE A 125;GLY A 155;ILE A  41","None","0.71A","3nu4B-1y7wA:undetectable","3nu4B-1y7wA:13.45"],["3NU4_B_478B401_2","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","0.64A","3nu4B-2bc0A:undetectable","3nu4B-2bc0A:12.30"],["3NU4_B_478B401_2","2dws","Rhodobacter sphaeroides","COPPER-CONTAINING NITRITE REDUCTASE","PF00394(Cu-oxidase);PF07732(Cu-oxidase_3)",5,"LEU A  90;GLY A 254;ALA A 255;GLY A 347;ILE A 250","None","0.84A","3nu4B-2dwsA:undetectable","3nu4B-2dwsA:16.40"],["3NU4_B_478B401_2","2ewn","Escherichia coli","BIRA BIFUNCTIONAL PROTEIN","PF02237(BPL_C);PF03099(BPL_LplA_LipB);PF08279(HTH_11)",5,"GLY A 186;ALA A 185;GLY A 154;ILE A 153;ILE A 207","BTX A 501 (-3.3A);None;None;None;None","0.79A","3nu4B-2ewnA:undetectable","3nu4B-2ewnA:16.25"],["3NU4_B_478B401_2","2fja","Archaeoglobus fulgidus","ADENYLYLSULFATE REDUCTASE, SUBUNIT A","PF00890(FAD_binding_2);PF02910(Succ_DH_flav_C)",5,"LEU A  54;GLY A  36;ALA A  37;GLY A 438;ILE A  27","None;None;None;FAD A1000 (-3.5A);None","0.90A","3nu4B-2fjaA:undetectable","3nu4B-2fjaA:10.17"],["3NU4_B_478B401_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",5,"ASP A  25;GLY A  27;ALA A  28;GLY A  54;ILE A  89","LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);LP1 A 201 (-4.2A)","0.70A","3nu4B-2fmbA:14.8","3nu4B-2fmbA:33.96"],["3NU4_B_478B401_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;GLY A  55;ILE A  89","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.4A);LP1 A 201 (-4.2A)","0.29A","3nu4B-2fmbA:14.8","3nu4B-2fmbA:33.96"],["3NU4_B_478B401_2","2i14","Pyrococcus furiosus","NICOTINATE-NUCLEOTIDE PYROPHOSPHORYLASE","PF01729(QRPTase_C);PF02749(QRPTase_N)",6,"GLY A 290;ALA A 291;ASP A 272;ILE A 276;GLY A 269;ILE A 122","PCP A 392 (-3.6A);None;None;None;PCP A 392 ( 4.1A);None","1.27A","3nu4B-2i14A:undetectable","3nu4B-2i14A:13.92"],["3NU4_B_478B401_2","2nlx","Escherichia coli","XYLULOSE KINASE","PF00370(FGGY_N);PF02782(FGGY_C)",6,"LEU A  17;GLY A 427;ALA A 425;ASP A   6;GLY A 420;ILE A  15","None","1.43A","3nu4B-2nlxA:undetectable","3nu4B-2nlxA:11.16"],["3NU4_B_478B401_2","2nnj","Homo sapiens","CYTOCHROME P450 2C8","PF00067(p450)",5,"ALA A 436;ILE A 113;GLY A 298;ILE A 178;ILE A 112","HEM A 500 (-3.7A);225 A 501 ( 4.3A);HEM A 500 (-3.4A);None;HEM A 500 (-4.1A)","0.87A","3nu4B-2nnjA:undetectable","3nu4B-2nnjA:13.27"],["3NU4_B_478B401_2","2oer","Pseudomonas aeruginosa","PROBABLE TRANSCRIPTIONAL REGULATOR","PF00440(TetR_N)",5,"LEU A  23;GLY A  53;ALA A  52;ILE A  56;ILE A  27","None","0.88A","3nu4B-2oerA:undetectable","3nu4B-2oerA:18.23"],["3NU4_B_478B401_2","2ri6","Paraburkholderia xenovorans","2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE","PF12697(Abhydrolase_6)",5,"LEU A 283;GLY A  63;ALA A  62;GLY A  57;ILE A 280","None","0.74A","3nu4B-2ri6A:undetectable","3nu4B-2ri6A:16.49"],["3NU4_B_478B401_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",5,"ALA A  28;ASP A  30;ILE A  32;GLY A  48;ILE A  84","AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 (-4.5A);AB1 A 501 (-4.2A);AB1 A 501 ( 4.2A)","0.90A","3nu4B-2rkfA:19.9","3nu4B-2rkfA:83.84"],["3NU4_B_478B401_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A)","1.35A","3nu4B-2rkfA:19.9","3nu4B-2rkfA:83.84"],["3NU4_B_478B401_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  32;GLY A  49;ILE A  50;ILE A  84","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 (-4.5A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 ( 4.2A)","0.46A","3nu4B-2rkfA:19.9","3nu4B-2rkfA:83.84"],["3NU4_B_478B401_2","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",6,"LEU A  35;ASP A  37;GLY A  39;ALA A  40;ILE A  44;ILE A 108","None","0.38A","3nu4B-2rspA:12.7","3nu4B-2rspA:34.40"],["3NU4_B_478B401_2","2wsk","Escherichia coli","GLYCOGEN DEBRANCHING ENZYME","PF00128(Alpha-amylase);PF02922(CBM_48)",5,"LEU A 188;GLY A 255;ALA A 254;ILE A 248;ILE A 185","None","0.81A","3nu4B-2wskA:undetectable","3nu4B-2wskA:9.01"],["3NU4_B_478B401_2","2yfq","Peptoniphilus asaccharolyticus","NAD-SPECIFIC GLUTAMATE DEHYDROGENASE","PF00208(ELFV_dehydrog);PF02812(ELFV_dehydrog_N)",6,"LEU A 317;ALA A 213;ASP A 212;GLY A 236;ILE A 231;ILE A 208","None","1.25A","3nu4B-2yfqA:undetectable","3nu4B-2yfqA:14.01"],["3NU4_B_478B401_2","3a2q","Arthrobacter sp. KI72","6-AMINOHEXANOATE-CYCLIC-DIMER HYDROLASE","PF01425(Amidase)",6,"GLY A 283;ALA A 284;ILE A 453;GLY A 450;ILE A 449;ILE A 385","None","1.34A","3nu4B-3a2qA:undetectable","3nu4B-3a2qA:10.91"],["3NU4_B_478B401_2","3ak5","Escherichia coli","HEMOGLOBIN-BINDING PROTEASE HBP","PF02395(Peptidase_S6)",6,"GLY A 248;ALA A 249;ILE A  81;GLY A 220;ILE A 252;ILE A  83","None","1.43A","3nu4B-3ak5A:undetectable","3nu4B-3ak5A:7.11"],["3NU4_B_478B401_2","3b48","Enterococcus faecalis","UNCHARACTERIZED PROTEIN","PF03610(EIIA-man)",5,"LEU A  65;GLY A 102;ALA A 103;ILE A  33;ILE A   5","None","0.77A","3nu4B-3b48A:undetectable","3nu4B-3b48A:24.62"],["3NU4_B_478B401_2","3b48","Enterococcus faecalis","UNCHARACTERIZED PROTEIN","PF03610(EIIA-man)",5,"LEU A  65;GLY A 102;ILE A  33;ILE A 108;ILE A   5","None","0.87A","3nu4B-3b48A:undetectable","3nu4B-3b48A:24.62"],["3NU4_B_478B401_2","3cf4","Methanosarcina barkeri","ACETYL-COA DECARBOXYLASE\/SYNTHASE ALPHA SUBUNIT","PF03063(Prismane)",5,"ALA A 436;ASP A 432;ILE A 431;ILE A 469;ILE A 451","None;None;SF4 A 813 ( 4.3A);SF4 A 814 ( 4.4A);None","0.87A","3nu4B-3cf4A:undetectable","3nu4B-3cf4A:9.12"],["3NU4_B_478B401_2","3e4e","Homo sapiens","CYTOCHROME P450 2E1","PF00067(p450)",5,"ALA A 438;ILE A 115;GLY A 300;ILE A 180;ILE A 114","HEM A 500 (-3.8A);HEM A 500 (-4.0A);HEM A 500 (-3.4A);None;HEM A 500 (-4.0A)","0.80A","3nu4B-3e4eA:undetectable","3nu4B-3e4eA:13.90"],["3NU4_B_478B401_2","3gf7","[Clostridium] symbiosum","GLUTACONYL-COA DECARBOXYLASE SUBUNIT A","PF01039(Carboxyl_trans)",5,"LEU A 148;GLY A 191;ALA A 213;GLY A 256;ILE A 189","None","0.87A","3nu4B-3gf7A:undetectable","3nu4B-3gf7A:10.50"],["3NU4_B_478B401_2","3hkz","Sulfolobus solfataricus","DNA-DIRECTED RNA POLYMERASE SUBUNIT A'","PF00623(RNA_pol_Rpb1_2);PF04983(RNA_pol_Rpb1_3);PF04997(RNA_pol_Rpb1_1);PF04998(RNA_pol_Rpb1_5);PF05000(RNA_pol_Rpb1_4)",5,"GLY A 712;ALA A 711;ILE A 665;GLY A 748;ILE A 661","None","0.84A","3nu4B-3hkzA:undetectable","3nu4B-3hkzA:8.87"],["3NU4_B_478B401_2","3k2w","Pseudoalteromonas atlantica","BETAINE-ALDEHYDE DEHYDROGENASE","PF00171(Aldedh)",5,"LEU A  76;GLY A 200;ALA A 199;ILE A  83;GLY A 193","None","0.89A","3nu4B-3k2wA:undetectable","3nu4B-3k2wA:12.25"],["3NU4_B_478B401_2","3kl7","Parabacteroides distasonis","PUTATIVE METAL-DEPENDENT HYDROLASE","PF13483(Lactamase_B_3)",5,"LEU A 156;GLY A 153;ASP A 120;ILE A  77;ILE A 130","None","0.83A","3nu4B-3kl7A:undetectable","3nu4B-3kl7A:16.96"],["3NU4_B_478B401_2","3l49","Rhodobacter sphaeroides","ABC SUGAR (RIBOSE) TRANSPORTER, PERIPLASMIC SUBSTRATE-BINDING SUBUNIT","PF13407(Peripla_BP_4)",5,"LEU A 105;ILE A 113;GLY A  35;ILE A  36;ILE A 108","None","0.89A","3nu4B-3l49A:undetectable","3nu4B-3l49A:17.48"],["3NU4_B_478B401_2","3mdo","Parabacteroides distasonis","PUTATIVE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE","PF02769(AIRS_C)",6,"LEU A 251;GLY A 256;ALA A 255;ASP A 246;ILE A 319;ILE A 248","None","1.08A","3nu4B-3mdoA:undetectable","3nu4B-3mdoA:16.62"],["3NU4_B_478B401_2","3mwe","Homo sapiens","ATP-CITRATE SYNTHASE","PF16114(Citrate_bind)",5,"LEU A 301;GLY A 296;ILE A 337;GLY A 416;ILE A 275","None","0.90A","3nu4B-3mweA:undetectable","3nu4B-3mweA:12.53"],["3NU4_B_478B401_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None","1.26A","3nu4B-3mwsA:19.2","3nu4B-3mwsA:78.79"],["3NU4_B_478B401_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  84","None","0.52A","3nu4B-3mwsA:19.2","3nu4B-3mwsA:78.79"],["3NU4_B_478B401_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;GLY A  49;ILE A  50;ILE A  84","None","0.38A","3nu4B-3mwsA:19.2","3nu4B-3mwsA:78.79"],["3NU4_B_478B401_2","3noy","Aquifex aeolicus","4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE","PF04551(GcpE)",5,"LEU A 198;GLY A 201;ILE A  23;GLY A 220;ILE A 221","None","0.79A","3nu4B-3noyA:undetectable","3nu4B-3noyA:15.32"],["3NU4_B_478B401_2","3okf","Vibrio cholerae","3-DEHYDROQUINATE SYNTHASE","PF01761(DHQ_synthase)",5,"LEU A 298;ALA A 280;ILE A 194;GLY A 250;ILE A 297","None","0.87A","3nu4B-3okfA:undetectable","3nu4B-3okfA:15.09"],["3NU4_B_478B401_2","3one","Lupinus luteus","ADENOSYLHOMOCYSTEINASE","PF00670(AdoHcyase_NAD);PF05221(AdoHcyase)",5,"GLY A 269;ALA A 268;ILE A 331;ILE A 348;ILE A 330","NAD A 501 (-3.6A);NAD A 501 ( 4.8A);None;NAD A 501 (-4.4A);NAD A 501 (-4.8A)","0.87A","3nu4B-3oneA:undetectable","3nu4B-3oneA:12.40"],["3NU4_B_478B401_2","3qom","Lactobacillus plantarum","6-PHOSPHO-BETA-GLUCOSIDASE","PF00232(Glyco_hydro_1)",5,"GLY A 191;ILE A  39;GLY A 198;ILE A 199;ILE A  51","None","0.85A","3nu4B-3qomA:undetectable","3nu4B-3qomA:10.49"],["3NU4_B_478B401_2","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;GLY A  56","None;3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);3TL A 126 (-3.4A)","0.28A","3nu4B-3slzA:11.4","3nu4B-3slzA:25.19"],["3NU4_B_478B401_2","3t2y","Acidithiobacillus ferrooxidans","SULFIDE-QUINONE REDUCTASE, PUTATIVE","PF07992(Pyr_redox_2)",5,"LEU A   7;GLY A 106;ALA A 303;GLY A 281;ILE A 103","FAD A 500 (-4.7A);FAD A 500 (-3.1A);None;None;None","0.71A","3nu4B-3t2yA:undetectable","3nu4B-3t2yA:12.88"],["3NU4_B_478B401_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.0A);017 A 201 (-3.3A)","1.38A","3nu4B-3t3cA:18.0","3nu4B-3t3cA:73.74"],["3NU4_B_478B401_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);017 A 201 (-3.3A)","0.36A","3nu4B-3t3cA:18.0","3nu4B-3t3cA:73.74"],["3NU4_B_478B401_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None;017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-3.0A);017 A 201 (-3.3A)","1.25A","3nu4B-3ttpA:19.0","3nu4B-3ttpA:77.78"],["3NU4_B_478B401_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  32;GLY A  49;ILE A  50;ILE A  84","None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-4.6A);None;017 A 201 (-3.0A);017 A 201 (-3.3A);017 A 201 (-4.7A)","0.48A","3nu4B-3ttpA:19.0","3nu4B-3ttpA:77.78"],["3NU4_B_478B401_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None;017 A 202 ( 2.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 202 (-2.9A);017 A 201 ( 3.5A)","1.28A","3nu4B-3u7sA:19.5","3nu4B-3u7sA:77.78"],["3NU4_B_478B401_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  32;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 ( 4.0A);None;017 A 202 (-2.9A);017 A 201 ( 3.5A)","0.26A","3nu4B-3u7sA:19.5","3nu4B-3u7sA:77.78"],["3NU4_B_478B401_2","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ILE A  32","None","0.25A","3nu4B-3uhlA:16.1","3nu4B-3uhlA:81.82"],["3NU4_B_478B401_2","4bc5","Homo sapiens","XYLULOSE KINASE","PF00370(FGGY_N);PF02782(FGGY_C)",6,"LEU A 449;GLY A 441;ALA A 442;ILE A 412;GLY A 339;ILE A 448","None","1.37A","3nu4B-4bc5A:undetectable","3nu4B-4bc5A:11.52"],["3NU4_B_478B401_2","4il5","Entamoeba histolytica","CYSTEINE SYNTHASE","PF00291(PALP)",6,"LEU A  75;GLY A  97;ALA A  96;ILE A  65;GLY A  90;ILE A 106","None","1.25A","3nu4B-4il5A:undetectable","3nu4B-4il5A:17.80"],["3NU4_B_478B401_2","4inj","Listeria monocytogenes","LMO1638 PROTEIN","PF02016(Peptidase_S66)",5,"LEU A 162;ALA A 309;GLY A 306;ILE A 305;ILE A 321","None","0.84A","3nu4B-4injA:undetectable","3nu4B-4injA:15.41"],["3NU4_B_478B401_2","4jn6","Mycobacterium tuberculosis","ACETALDEHYDE DEHYDROGENASE","PF01118(Semialdhyde_dh);PF09290(AcetDehyd-dimer)",5,"GLY B 187;ILE B 206;GLY B 182;ILE B 181;ILE B 150","None","0.89A","3nu4B-4jn6B:undetectable","3nu4B-4jn6B:15.77"],["3NU4_B_478B401_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None;RIT A 500 (-2.4A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-3.4A);RIT A 500 (-4.3A)","1.26A","3nu4B-4njvA:19.5","3nu4B-4njvA:83.84"],["3NU4_B_478B401_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-4.8A);RIT A 500 (-4.3A)","0.46A","3nu4B-4njvA:19.5","3nu4B-4njvA:83.84"],["3NU4_B_478B401_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;GLY A  49;ILE A  50;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.4A);RIT A 500 (-4.3A);RIT A 500 (-4.3A)","0.33A","3nu4B-4njvA:19.5","3nu4B-4njvA:83.84"],["3NU4_B_478B401_2","4ose","Rickettsia typhi","PUTATIVE HYDROLASE","PF00561(Abhydrolase_1)",5,"ALA A 122;ILE A 234;GLY A 115;ILE A 116;ILE A 230","None","0.84A","3nu4B-4oseA:undetectable","3nu4B-4oseA:17.57"],["3NU4_B_478B401_2","4qpn","Homo sapiens","PROTEIN-LYSINE METHYLTRANSFERASE METTL21B","PF10294(Methyltransf_16)",5,"LEU A 109;GLY A  83;ALA A  84;ILE A  80;ILE A 112","None;SAH A 301 (-3.6A);None;None;None","0.73A","3nu4B-4qpnA:undetectable","3nu4B-4qpnA:20.21"],["3NU4_B_478B401_2","4rgh","Homo sapiens","PROTEIN DDI1 HOMOLOG 2","PF09668(Asp_protease)",5,"ASP A 220;GLY A 222;ALA A 223;ILE A 227;GLY A 252","None","0.84A","3nu4B-4rghA:10.5","3nu4B-4rghA:18.93"],["3NU4_B_478B401_2","4xib","Homo sapiens","E3 UBIQUITIN-PROTEIN LIGASE MIB1","PF00569(ZZ);PF06701(MIB_HERC2)",6,"LEU A 215;GLY A 154;ALA A 155;ASP A 220;GLY A 223;ILE A 151","None","1.45A","3nu4B-4xibA:undetectable","3nu4B-4xibA:14.52"],["3NU4_B_478B401_2","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",6,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;GLY A  58;ILE A 100","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-3.4A);4B1 A 201 (-4.8A)","0.48A","3nu4B-4ydfA:12.6","3nu4B-4ydfA:32.17"],["3NU4_B_478B401_2","4yo1","Legionella pneumophila","DEGQ","PF13180(PDZ_2);PF13365(Trypsin_2)",5,"LEU A 112;GLY A 192;ILE A  69;ILE A 202;ILE A  77","None","0.88A","3nu4B-4yo1A:undetectable","3nu4B-4yo1A:16.05"],["3NU4_B_478B401_2","5a8r","Methanothermobacter marburgensis","METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA","PF02241(MCR_beta);PF02783(MCR_beta_N)",5,"LEU B  18;GLY B 435;ALA B 436;ILE B   8;ILE B 217","None","0.80A","3nu4B-5a8rB:undetectable","3nu4B-5a8rB:13.09"],["3NU4_B_478B401_2","5b0h","Homo sapiens","LEUKOCYTE CELL-DERIVED CHEMOTAXIN-2","PF01551(Peptidase_M23)",5,"GLY A  99;ALA A  50;ILE A  56;GLY A 103;ILE A  96","None","0.86A","3nu4B-5b0hA:undetectable","3nu4B-5b0hA:20.28"],["3NU4_B_478B401_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"GLY A  27;ALA A  28;ASP A  30;GLY A  49;ILE A  84","None","0.90A","3nu4B-5b18A:18.0","3nu4B-5b18A:74.75"],["3NU4_B_478B401_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"GLY A  27;ALA A  28;ASP A  30;ILE A  32;ILE A  84","None","0.18A","3nu4B-5b18A:18.0","3nu4B-5b18A:74.75"],["3NU4_B_478B401_2","5cr9","Saccharomonospora viridis","ABC-TYPE FE3+-HYDROXAMATE TRANSPORT SYSTEM, PERIPLASMIC COMPONENT","PF01497(Peripla_BP_2)",5,"GLY A  86;ALA A  85;ILE A 124;GLY A 134;ILE A 119","None","0.90A","3nu4B-5cr9A:undetectable","3nu4B-5cr9A:17.71"],["3NU4_B_478B401_2","5cw2","Mycolicibacterium thermoresistibile","PUTATIVE EPOXIDE HYDROLASE EPHA","no annotation",5,"LEU C 315;GLY C  53;ALA C  52;ILE C  46;ILE C 312","None","0.78A","3nu4B-5cw2C:undetectable","3nu4B-5cw2C:15.09"],["3NU4_B_478B401_2","5eum","Haemophilus influenzae","LIPID A EXPORT ATP-BINDING\/PERMEASE PROTEIN MSBA","PF00005(ABC_tran)",5,"LEU A 544;ALA A 541;ILE A 553;GLY A 381;ILE A 547","MLI A 609 (-3.9A);None;None;None;None","0.91A","3nu4B-5eumA:undetectable","3nu4B-5eumA:19.67"],["3NU4_B_478B401_2","5g5g","Escherichia coli","PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT","PF00111(Fer2);PF01799(Fer2_2)",5,"GLY A 211;ALA A 212;ASP A 154;GLY A 159;ILE A 216","None;None;None;FES A 230 (-4.2A);None","0.86A","3nu4B-5g5gA:undetectable","3nu4B-5g5gA:23.12"],["3NU4_B_478B401_2","5hdm","Arabidopsis thaliana","GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE 1, CHLOROPLASTIC","PF00202(Aminotran_3)",6,"LEU A 242;GLY A 286;ASP A 246;ILE A 211;GLY A 130;ILE A 244","None;None;PMP A 500 (-2.8A);None;None;None","1.24A","3nu4B-5hdmA:undetectable","3nu4B-5hdmA:13.30"],["3NU4_B_478B401_2","5ikz","Burkholderia thailandensis","OXALATE BIOSYNTHETIC COMPONENT 1","PF05853(BKACE)",5,"LEU A 460;GLY A 471;ASP A 468;ILE A 465;ILE A 515","None","0.90A","3nu4B-5ikzA:undetectable","3nu4B-5ikzA:6.53"],["3NU4_B_478B401_2","5il5","Bacillus velezensis","MLND","PF14765(PS-DH)",5,"GLY A1310;ALA A1309;ILE A1278;ILE A1303;ILE A1341","None","0.70A","3nu4B-5il5A:undetectable","3nu4B-5il5A:15.44"],["3NU4_B_478B401_2","5ldn","Human mastadenovirus C","HEXON PROTEIN,HEXON CAPSID","PF01065(Adeno_hexon);PF03678(Adeno_hexon_C)",5,"GLY A 220;ALA A 171;ILE A 215;GLY A 206;ILE A 205","None","0.84A","3nu4B-5ldnA:undetectable","3nu4B-5ldnA:7.24"],["3NU4_B_478B401_2","5n3u","Nostoc sp. PCC 7120","PHYCOCYANOBILIN LYASE SUBUNIT ALPHA","no annotation",5,"ALA A 185;ILE A 164;GLY A 159;ILE A 158;ILE A 167","None","0.84A","3nu4B-5n3uA:undetectable","3nu4B-5n3uA:21.57"],["3NU4_B_478B401_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None","1.26A","3nu4B-5t2zA:19.7","3nu4B-5t2zA:79.80"],["3NU4_B_478B401_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None","0.47A","3nu4B-5t2zA:19.7","3nu4B-5t2zA:79.80"],["3NU4_B_478B401_2","5w4b","Homo sapiens","ADENOSYLHOMOCYSTEINASE","PF00670(AdoHcyase_NAD);PF05221(AdoHcyase)",5,"GLY A 220;ALA A 219;ILE A 282;ILE A 299;ILE A 281","NAD A 501 ( 3.7A);None;None;NAD A 501 (-4.3A);NAD A 501 (-4.8A)","0.85A","3nu4B-5w4bA:undetectable","3nu4B-5w4bA:14.05"],["3NU4_B_478B401_2","5zgb","Cyanidioschyzon merolae","PSAL","no annotation",5,"LEU L  89;GLY L  51;ALA L 125;ILE L  83;ILE L  86","BCR L 205 (-3.7A);None;None;None;None","0.87A","3nu4B-5zgbL:undetectable","3nu4B-5zgbL:23.47"],["3NU4_B_478B401_2","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"LEU A  28;ASP A  30;GLY A  32;ALA A  33;ILE A  37;GLY A  58","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 ( 4.8A);3TL A 201 (-3.4A)","0.39A","3nu4B-6fivA:15.6","3nu4B-6fivA:30.58"],["3NU4_B_478B401_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  32;GLY A  49;ILE A  50;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.77A","3nu4B-6upjA:17.3","3nu4B-6upjA:50.51"]]