SIMILAR PATTERNS OF AMINO ACIDS FOR 3EKT_B_017B200_1

List of similar pattern of amino acids derived from ASSAM search

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

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

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	Hit	Macromolecule/ Organism	Pfam	Res.	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ekq	HYDROXYETHYLTHIAZOLE KINASE (Bacillus subtilis)	PF02110 (HK)	5	LEU A 215 ALA A 119 VAL A 204 GLY A 122 ILE A 167	None	0.93A	3ektA-1ekqA: undetectable	3ektA-1ekqA: 16.91
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.	1f3g	GLUCOSE-SPECIFIC PHOSPHOCARRIER PROTEIN IIAGLC (Escherichia coli)	PF00358 (PTS_EIIA_1)	5	LEU A 26 GLY A 159 ASP A 117 VAL A 119 ILE A 22	None	1.05A	3ektA-1f3gA: undetectable	3ektA-1f3gA: 17.61
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.	1foh	PHENOL HYDROXYLASE (Cutaneotrichosporon cutaneum)	PF01494 (FAD_binding_3) PF07976 (Phe_hydrox_dim)	5	LEU A 235 ALA A 358 ASP A 357 GLY A 14 ILE A 12	None None FAD A 801 (-2.9A) FAD A 801 (-3.1A) None	1.02A	3ektA-1fohA: undetectable	3ektA-1fohA: 9.13
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)	1.21A	3ektA-1hvcA: 13.8	3ektA-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)	1.23A	3ektA-1hvcA: 13.8	3ektA-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 VAL A 32 GLY A 48	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.4A) A79 A 800 (-3.6A)	0.95A	3ektA-1hvcA: 13.8	3ektA-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 VAL A 32 GLY A 48	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.3A) A79 A 800 (-4.1A)	0.99A	3ektA-1hvcA: 13.8	3ektA-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)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 ( 4.4A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A)	0.35A	3ektA-1hvcA: 13.8	3ektA-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)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 ( 4.3A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A)	0.35A	3ektA-1hvcA: 13.8	3ektA-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.	1jik	TYROSYL-TRNA SYNTHETASE (Staphylococcus aureus)	PF00579 (tRNA-synt_1b)	5	LEU A 46 GLY A 38 ASP A 80 GLY A 193 ILE A 221	545 A 421 ( 3.9A) 545 A 421 (-4.2A) 545 A 421 (-3.4A) 545 A 421 (-3.6A) None	0.94A	3ektA-1jikA: undetectable	3ektA-1jikA: 12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1o5w	AMINE OXIDASE [FLAVIN-CONTAINING] A (Rattus norvegicus)	PF01593 (Amino_oxidase)	5	LEU A 233 ALA A 29 VAL A 238 GLY A 22 ILE A 23	None None None FAD A 652 (-3.4A) FAD A 652 (-4.8A)	0.86A	3ektA-1o5wA: undetectable	3ektA-1o5wA: 12.21
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.	1oh2	SUCROSE SPECIFIC PORIN (Salmonella enterica)	PF02264 (LamB)	5	LEU Q 161 GLY Q 207 ALA Q 206 ASP Q 189 GLY Q 323	None	1.04A	3ektA-1oh2Q: undetectable	3ektA-1oh2Q: 14.11
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)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32	None	0.52A	3ektA-1q9pA: 10.4	3ektA-1q9pA: 88.42
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)	5	ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 48	None	0.84A	3ektA-1sivA: 18.6	3ektA-1sivA: 48.48
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	1.24A	3ektA-1sivA: 18.6	3ektA-1sivA: 48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	None	0.37A	3ektA-1sivA: 18.6	3ektA-1sivA: 48.48
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.	1svv	THREONINE ALDOLASE (Leishmania major)	PF01212 (Beta_elim_lyase)	5	LEU A 265 GLY A 219 ALA A 214 GLY A 254 ILE A 255	None	1.03A	3ektA-1svvA: undetectable	3ektA-1svvA: 15.62
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.	1tlg	POLYANDROCARPA LECTIN (Polyandrocarpa misakiensis)	PF00059 (Lectin_C)	5	LEU A 81 GLY A 56 ALA A 57 ASP A 58 GLY A 72	None	0.86A	3ektA-1tlgA: undetectable	3ektA-1tlgA: 18.71
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.	1v5f	PYRUVATE OXIDASE (Aerococcus viridans)	PF00205 (TPP_enzyme_M) PF02775 (TPP_enzyme_C) PF02776 (TPP_enzyme_N)	5	GLY A 390 ASP A 442 VAL A 466 GLY A 418 ILE A 419	TPP A1602 ( 3.9A) MG A1603 ( 2.8A) None None None	1.02A	3ektA-1v5fA: undetectable	3ektA-1v5fA: 10.63
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.	1vhc	PUTATIVE KHG/KDPG ALDOLASE (Haemophilus influenzae)	PF01081 (Aldolase)	5	LEU A 82 GLY A 87 ALA A 88 ASP A 89 ILE A 29	None	0.90A	3ektA-1vhcA: undetectable	3ektA-1vhcA: 18.10
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.	1ys9	PROTEIN SPY1043 (Streptococcus pyogenes)	PF13242 (Hydrolase_like) PF13344 (Hydrolase_6)	5	LEU A 191 GLY A 215 ALA A 214 GLY A 205 ILE A 223	None	1.06A	3ektA-1ys9A: undetectable	3ektA-1ys9A: 16.60
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.	2b3x	IRON-RESPONSIVE ELEMENT BINDING PROTEIN 1 (Homo sapiens)	PF00330 (Aconitase) PF00694 (Aconitase_C)	5	LEU A 669 GLY A 672 ALA A 770 VAL A 795 GLY A 775	None	0.96A	3ektA-2b3xA: undetectable	3ektA-2b3xA: 7.96
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.	2cvj	THIOREDOXIN REDUCTASE RELATED PROTEIN (Thermus thermophilus)	PF00890 (FAD_binding_2) PF07992 (Pyr_redox_2)	5	LEU A 170 GLY A 24 ALA A 23 ASP A 177 VAL A 164	None	0.97A	3ektA-2cvjA: undetectable	3ektA-2cvjA: 18.58
Potential target for repurposing, i.e. matched protein structure has less than 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	0.86A	3ektA-2dwsA: undetectable	3ektA-2dwsA: 15.14
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.	2ewn	BIRA BIFUNCTIONAL PROTEIN (Escherichia coli)	PF02237 (BPL_C) PF03099 (BPL_LplA_LipB) PF08279 (HTH_11)	5	LEU A 131 GLY A 186 ALA A 185 GLY A 154 ILE A 153	None BTX A 501 (-3.3A) None None None	0.92A	3ektA-2ewnA: undetectable	3ektA-2ewnA: 18.77
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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 54	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) None LP1 A 201 (-3.6A)	0.89A	3ektA-2fmbA: 15.2	3ektA-2fmbA: 31.73
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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 55	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) None LP1 A 201 (-3.4A)	0.37A	3ektA-2fmbA: 15.2	3ektA-2fmbA: 31.73
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.	2m1i	PARVULIN-LIKE PEPTIDYL-PROLYL ISOMERASE (Cenarchaeum symbiosum)	PF13616 (Rotamase_3)	5	LEU A 16 ASP A 46 GLY A 48 ASP A 53 GLY A 57	None	0.93A	3ektA-2m1iA: undetectable	3ektA-2m1iA: 19.81
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.	2q04	ACETOIN UTILIZATION PROTEIN (Exiguobacterium sibiricum)	PF00583 (Acetyltransf_1)	5	LEU A 115 GLY A 22 ASP A 122 GLY A 60 ILE A 54	None	1.03A	3ektA-2q04A: undetectable	3ektA-2q04A: 19.63
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.	2q2r	GLUCOKINASE 1, PUTATIVE (Trypanosoma cruzi)	PF02685 (Glucokinase)	5	LEU A 179 GLY A 188 ASP A 131 GLY A 306 ILE A 309	None BGC A1001 (-3.5A) BGC A1001 (-3.0A) None None	1.02A	3ektA-2q2rA: undetectable	3ektA-2q2rA: 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.	2qe6	UNCHARACTERIZED PROTEIN TFU_2867 (Thermobifida fusca)	PF04672 (Methyltransf_19)	5	ASP A 110 GLY A 86 ASP A 82 VAL A 136 GLY A 164	SAM A 400 (-2.7A) SAM A 400 ( 3.2A) None SAM A 400 (-3.8A) SAM A 400 (-3.5A)	1.03A	3ektA-2qe6A: undetectable	3ektA-2qe6A: 17.05
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.	2rgj	FLAVIN-CONTAINING MONOOXYGENASE (Pseudomonas aeruginosa)	PF01494 (FAD_binding_3)	5	LEU A 175 ALA A 311 ASP A 310 GLY A 11 ILE A 9	None None FAD A 403 (-2.7A) FAD A 403 (-3.2A) None	0.99A	3ektA-2rgjA: undetectable	3ektA-2rgjA: 16.93
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 30 GLY A 49 ILE A 50	None AB1 A 501 (-2.4A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A)	1.34A	3ektA-2rkfA: 20.8	3ektA-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	None AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A)	0.35A	3ektA-2rkfA: 20.8	3ektA-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	5	LEU A 35 ASP A 37 GLY A 39 ALA A 40 ASP A 41	None	0.25A	3ektA-2rspA: 12.9	3ektA-2rspA: 31.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2vn8	RETICULON-4-INTERACT ING PROTEIN 1 (Homo sapiens)	PF08240 (ADH_N) PF13602 (ADH_zinc_N_2)	5	LEU A 243 GLY A 248 ALA A 249 ASP A 250 ASP A 251	None	0.75A	3ektA-2vn8A: undetectable	3ektA-2vn8A: 14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2y89	PHOSPHORIBOSYL ISOMERASE A (Mycobacterium tuberculosis)	PF00977 (His_biosynth)	5	ASP A 171 GLY A 176 ASP A 184 GLY A 136 ILE A 134	None	0.99A	3ektA-2y89A: undetectable	3ektA-2y89A: 16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2z5x	AMINE OXIDASE [FLAVIN-CONTAINING] A (Homo sapiens)	PF01593 (Amino_oxidase)	5	LEU A 233 ALA A 29 VAL A 238 GLY A 22 ILE A 23	None None None FAD A 600 (-3.2A) FAD A 600 (-4.9A)	0.81A	3ektA-2z5xA: undetectable	3ektA-2z5xA: 12.67
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.	3a05	TRYPTOPHANYL-TRNA SYNTHETASE (Aeropyrum pernix)	PF00579 (tRNA-synt_1b)	5	GLY A 215 ALA A 216 ASP A 219 GLY A 54 ILE A 52	None	1.04A	3ektA-3a05A: undetectable	3ektA-3a05A: 12.88
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.	3bqx	GLYOXALASE-RELATED ENZYME (Fulvimarina pelagi)	PF00903 (Glyoxalase)	5	LEU A 86 GLY A 111 ALA A 101 ASP A 102 GLY A 108	None	1.04A	3ektA-3bqxA: undetectable	3ektA-3bqxA: 20.53
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.	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	1.00A	3ektA-3c8tA: undetectable	3ektA-3c8tA: 11.90
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.	3eeq	PUTATIVE COBALAMIN BIOSYNTHESIS PROTEIN G HOMOLOG (Sulfolobus solfataricus)	PF01890 (CbiG_C) PF11760 (CbiG_N)	5	LEU A 318 GLY A 219 ALA A 306 GLY A 250 ILE A 249	None	0.94A	3ektA-3eeqA: undetectable	3ektA-3eeqA: 20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.84A	3ektA-3i5gA: undetectable	3ektA-3i5gA: 8.12
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.	3jv7	ADH-A (Rhodococcus ruber)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	LEU A 211 GLY A 216 ALA A 217 ASP A 218 ILE A 190	None	0.68A	3ektA-3jv7A: undetectable	3ektA-3jv7A: 18.85
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.	3l6e	OXIDOREDUCTASE, SHORT-CHAIN DEHYDROGENASE/REDUCT ASE FAMILY (Aeromonas hydrophila)	PF00106 (adh_short)	5	GLY A 34 ALA A 56 ASP A 57 ASP A 63 VAL A 66	SO4 A 500 (-3.3A) None None None None	1.04A	3ektA-3l6eA: undetectable	3ektA-3l6eA: 17.04
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.	3lp6	PHOSPHORIBOSYLAMINOI MIDAZOLE CARBOXYLASE CATALYTIC SUBUNIT (Mycobacterium tuberculosis)	PF00731 (AIRC)	5	GLY A 71 ALA A 70 ASP A 19 GLY A 122 ILE A 121	FMT A 175 (-4.1A) FMT A 175 ( 4.3A) FMT A 175 (-3.5A) None None	1.07A	3ektA-3lp6A: undetectable	3ektA-3lp6A: 17.14
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 VAL A 32 GLY A 48	None	0.82A	3ektA-3mwsA: 19.8	3ektA-3mwsA: 74.75
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	3ektA-3mwsA: 19.8	3ektA-3mwsA: 74.75
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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50	None	0.46A	3ektA-3mwsA: 19.8	3ektA-3mwsA: 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.	3njx	RHAMNOGALACTURONASE B (Aspergillus aculeatus)	PF09284 (RhgB_N) PF14683 (CBM-like) PF14686 (fn3_3)	5	GLY A 346 ASP A 349 VAL A 336 GLY A 420 ILE A 419	None CA A 800 (-2.9A) None None None	1.05A	3ektA-3njxA: undetectable	3ektA-3njxA: 11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3p4g	ANTIFREEZE PROTEIN (Marinomonas primoryensis)	no annotation	5	ASP A 103 GLY A 99 ALA A 98 VAL A 124 GLY A 137	CA A 403 ( 2.4A) CA A 403 (-4.1A) CA A 404 (-4.5A) None CA A 405 (-4.1A)	1.01A	3ektA-3p4gA: undetectable	3ektA-3p4gA: 13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3qbd	3-DEHYDROQUINATE SYNTHASE (Mycobacterium tuberculosis)	PF01761 (DHQ_synthase)	6	LEU A 48 GLY A 106 ALA A 109 ASP A 111 VAL A 43 GLY A 77	None NAD A 400 (-3.1A) None NAD A 400 (-3.1A) None None	1.35A	3ektA-3qbdA: undetectable	3ektA-3qbdA: 16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	6	LEU A 30 ASP A 32 GLY A 34 ALA A 35 VAL A 39 GLY A 56	None 3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) None 3TL A 126 (-3.4A)	0.50A	3ektA-3slzA: 11.5	3ektA-3slzA: 26.67
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.	3ss6	ACETYL-COA ACETYLTRANSFERASE (Bacillus anthracis)	PF00108 (Thiolase_N) PF02803 (Thiolase_C)	5	GLY A 353 ALA A 354 VAL A 254 GLY A 251 ILE A 14	CSO A 88 ( 4.4A) None None None None	1.07A	3ektA-3ss6A: undetectable	3ektA-3ss6A: 14.29
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 30 GLY A 49 ILE A 50	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	1.22A	3ektA-3t3cA: 18.7	3ektA-3t3cA: 79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) None 017 A 201 (-4.0A) 017 A 201 (-3.3A)	0.38A	3ektA-3t3cA: 18.7	3ektA-3t3cA: 79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-4.6A) 017 A 201 (-3.0A) 017 A 201 (-3.3A)	0.26A	3ektA-3ttpA: 19.8	3ektA-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 30 GLY A 49 ILE A 50	None 017 A 202 ( 2.5A) 017 A 201 (-3.4A) 017 A 201 ( 4.0A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A)	1.25A	3ektA-3u7sA: 20.2	3ektA-3u7sA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A)	0.27A	3ektA-3u7sA: 20.2	3ektA-3u7sA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3uhl	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29	None	0.25A	3ektA-3uhlA: 16.3	3ektA-3uhlA: 76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3ujg	SERINE/THREONINE-PRO TEIN KINASE SRK2E (Arabidopsis thaliana)	PF00069 (Pkinase)	5	LEU A 156 GLY A 100 ALA A 97 VAL A 78 GLY A 30	None	1.01A	3ektA-3ujgA: undetectable	3ektA-3ujgA: 18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3uzu	RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE A (Burkholderia pseudomallei)	PF00398 (RrnaAD)	5	LEU A 88 GLY A 48 VAL A 56 GLY A 116 ILE A 45	None	1.04A	3ektA-3uzuA: undetectable	3ektA-3uzuA: 20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3zyx	AMINE OXIDASE [FLAVIN-CONTAINING] B (Homo sapiens)	PF01593 (Amino_oxidase)	5	LEU A 224 ALA A 20 VAL A 229 GLY A 13 ILE A 14	None None None FAD A 600 (-3.4A) FAD A 600 (-4.8A)	0.85A	3ektA-3zyxA: undetectable	3ektA-3zyxA: 12.98
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.	4b7j	NEURAMINIDASE (Influenza A virus)	PF00064 (Neur)	6	LEU A 426 ASP A 459 GLY A 460 ALA A 461 GLY A 109 ILE A 108	None	1.25A	3ektA-4b7jA: undetectable	3ektA-4b7jA: 10.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4bmb	GALECTIN-8 (Homo sapiens)	PF00337 (Gal-bind_lectin)	5	GLY A 127 ASP A 112 VAL A 109 GLY A 131 ILE A 130	None	0.99A	3ektA-4bmbA: undetectable	3ektA-4bmbA: 21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4bo6	3-OXOACYL-[ACYL-CARR IER-PROTEIN] REDUCTASE FABG (Pseudomonas aeruginosa)	PF13561 (adh_short_C2)	5	LEU A 117 GLY A 91 ALA A 90 GLY A 18 ILE A 17	None	0.98A	3ektA-4bo6A: undetectable	3ektA-4bo6A: 16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4dqa	UNCHARACTERIZED PROTEIN (Bacteroides ovatus)	PF08522 (DUF1735) PF13385 (Laminin_G_3)	6	LEU A 193 GLY A 168 ASP A 197 VAL A 196 GLY A 292 ILE A 291	None	1.30A	3ektA-4dqaA: undetectable	3ektA-4dqaA: 14.24
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.	4g1p	CYS-GLY METALLODIPEPTIDASE DUG1 (Saccharomyces cerevisiae)	PF01546 (Peptidase_M20) PF07687 (M20_dimer)	5	LEU A 121 GLY A 140 ASP A 138 ASP A 137 GLY A 443	None None None ZN A 501 (-2.3A) None	1.07A	3ektA-4g1pA: undetectable	3ektA-4g1pA: 12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4gpc	HEME OXYGENASE (Corynebacterium diphtheriae)	PF01126 (Heme_oxygenase)	5	LEU A 87 ASP A 86 GLY A 159 ASP A 154 ILE A 143	None	1.05A	3ektA-4gpcA: undetectable	3ektA-4gpcA: 19.44
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.	4ida	RIPENING-INDUCED PROTEIN (Fragaria vesca)	PF08240 (ADH_N) PF13602 (ADH_zinc_N_2)	5	LEU A 203 GLY A 208 ALA A 209 ASP A 210 ILE A 179	None	0.83A	3ektA-4idaA: undetectable	3ektA-4idaA: 16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4il5	CYSTEINE SYNTHASE (Entamoeba histolytica)	PF00291 (PALP)	5	LEU A 75 GLY A 97 ALA A 96 GLY A 90 ILE A 106	None	1.01A	3ektA-4il5A: undetectable	3ektA-4il5A: 18.10
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.	4kkm	POLYPRENYL SYNTHETASE (Zymomonas mobilis)	PF00348 (polyprenyl_synt)	5	ALA A 224 ASP A 225 ASP A 226 GLY A 218 ILE A 217	None	0.99A	3ektA-4kkmA: undetectable	3ektA-4kkmA: 18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4lgn	CELLULOSE-BINDING, FAMILY II (Acidothermus cellulolyticus)	no annotation	5	LEU A 304 GLY A 129 ASP A 21 GLY A 263 ILE A 242	None	1.03A	3ektA-4lgnA: undetectable	3ektA-4lgnA: 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.	4maa	PUTATIVE BRANCHED-CHAIN AMINO ACID ABC TRANSPORTER, PERIPLASMIC AMINO ACID-BINDING PROTEIN (Pseudomonas protegens)	PF13458 (Peripla_BP_6)	5	LEU A 105 GLY A 128 ALA A 129 ASP A 130 GLY A 179	GOL A 503 ( 4.4A) GOL A 503 (-3.7A) None None None	0.93A	3ektA-4maaA: undetectable	3ektA-4maaA: 13.15
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 VAL A 32 GLY A 48	RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 (-4.8A)	0.82A	3ektA-4njvA: 20.5	3ektA-4njvA: 86.87
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	3ektA-4njvA: 20.5	3ektA-4njvA: 86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 (-3.4A) RIT A 500 (-4.3A)	0.46A	3ektA-4njvA: 20.5	3ektA-4njvA: 86.87
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.	4paf	TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT, PUTATIVE (Ruegeria pomeroyi)	PF03480 (DctP)	5	GLY A 138 ALA A 137 VAL A 95 GLY A 141 ILE A 241	None	0.99A	3ektA-4pafA: undetectable	3ektA-4pafA: 14.41
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.	4qpn	PROTEIN-LYSINE METHYLTRANSFERASE METTL21B (Homo sapiens)	PF10294 (Methyltransf_16)	5	LEU A 105 ASP A 104 GLY A 85 ALA A 84 GLY A 149	SAH A 301 (-4.2A) SAH A 301 (-2.8A) SAH A 301 (-3.3A) None None	1.05A	3ektA-4qpnA: undetectable	3ektA-4qpnA: 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.	4rlb	CARBAPENEM-ASSOCIATE D RESISTANCE PROTEIN (Acinetobacter baumannii)	no annotation	5	GLY A 196 ASP A 201 ASP A 123 GLY A 192 ILE A 188	None	1.04A	3ektA-4rlbA: undetectable	3ektA-4rlbA: 16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4tqk	LECTIN 2 (Agrocybe aegerita)	PF13517 (VCBS)	5	ASP A 345 GLY A 350 ASP A 290 VAL A 343 GLY A 371	None	0.87A	3ektA-4tqkA: undetectable	3ektA-4tqkA: 14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ttp	DEPHOSPHO-COA KINASE (Legionella pneumophila)	PF01121 (CoaE)	5	LEU A 168 ALA A 175 ASP A 176 ASP A 177 GLY A 12	None	1.05A	3ektA-4ttpA: undetectable	3ektA-4ttpA: 18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4wwy	TRYPSIN-1 (Homo sapiens)	PF00089 (Trypsin)	5	LEU A 99 ASP A 102 GLY A 56 ALA A 55 VAL A 213	None	1.05A	3ektA-4wwyA: undetectable	3ektA-4wwyA: 24.50
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.	4xky	DIHYDRODIPICOLINATE SYNTHASE (Bacteroides thetaiotaomicron)	PF00701 (DHDPS)	5	LEU A 94 GLY A 99 ALA A 100 ASP A 101 ILE A 69	None None None MHO A 1 ( 3.2A) None	0.90A	3ektA-4xkyA: undetectable	3ektA-4xkyA: 14.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ydf	HTLV-1 PROTEASE (Primate T-lymphotropic virus 1)	PF00077 (RVP)	7	LEU A 30 ASP A 32 GLY A 34 ALA A 35 ASP A 36 VAL A 39 GLY A 58	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) None 4B1 A 201 (-3.4A)	0.61A	3ektA-4ydfA: 12.8	3ektA-4ydfA: 32.48
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	0.82A	3ektA-5b18A: 18.5	3ektA-5b18A: 76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5bw4	16S RRNA (ADENINE(1408)-N(1)) -METHYLTRANSFERASE (Catenulispora acidiphila)	no annotation	5	GLY A 138 ALA A 139 ASP A 105 VAL A 107 GLY A 102	None	1.03A	3ektA-5bw4A: undetectable	3ektA-5bw4A: 14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5cwa	ANTHRANILATE SYNTHASE COMPONENT 1 (Mycobacterium tuberculosis)	PF00425 (Chorismate_bind) PF04715 (Anth_synt_I_N)	5	LEU A 125 ASP A 447 GLY A 450 ALA A 449 ASP A 115	None	1.05A	3ektA-5cwaA: undetectable	3ektA-5cwaA: 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.	5ej1	PUTATIVE CELLULOSE SYNTHASE (Rhodobacter sphaeroides)	PF00535 (Glycos_transf_2) PF03552 (Cellulose_synt) PF07238 (PilZ)	5	LEU A 688 GLY A 614 VAL A 681 GLY A 655 ILE A 637	None C2E A 919 (-3.4A) None None None	0.86A	3ektA-5ej1A: undetectable	3ektA-5ej1A: 9.05
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.	5gzg	GALECTIN-8 (Homo sapiens)	PF00337 (Gal-bind_lectin)	5	GLY A 127 ASP A 112 VAL A 109 GLY A 131 ILE A 130	None	1.00A	3ektA-5gzgA: undetectable	3ektA-5gzgA: 20.53
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.	5hu4	CYSTEINE PROTEASE (Listeria monocytogenes)	PF04203 (Sortase)	5	LEU A 79 GLY A 131 ASP A 75 VAL A 15 ILE A 115	None	0.96A	3ektA-5hu4A: undetectable	3ektA-5hu4A: 19.72
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	1.24A	3ektA-5t2zA: 20.4	3ektA-5t2zA: 81.82
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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50	None	0.22A	3ektA-5t2zA: 20.4	3ektA-5t2zA: 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.	5ufm	METHYLTRANSFERASE DOMAIN PROTEIN (Burkholderia thailandensis)	no annotation	5	ASP A 95 GLY A 76 ASP A 72 VAL A 120 GLY A 136	SAH A 301 (-2.7A) SAH A 301 (-3.6A) None SAH A 301 (-4.1A) AZ8 A 302 ( 3.5A)	0.91A	3ektA-5ufmA: undetectable	3ektA-5ufmA: 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.	5w1a	MYOSIN HEAVY CHAIN, MUSCLE (Drosophila melanogaster)	no annotation	6	GLY A 259 ALA A 260 ASP A 261 VAL A 219 GLY A 457 ILE A 456	None	1.29A	3ektA-5w1aA: undetectable	3ektA-5w1aA: 20.72
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.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	LEU A 28 ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) 3TL A 201 (-3.4A)	0.19A	3ektA-6fivA: 15.8	3ektA-6fivA: 29.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6gbc	MOLYBDOPTERIN BIOSYNTHESIS PROTEIN CNX1 (Arabidopsis thaliana)	no annotation	5	GLY A 181 ALA A 180 VAL A 162 GLY A 175 ILE A 174	None	1.02A	3ektA-6gbcA: undetectable	3ektA-6gbcA: 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.	6grw	- (-)	no annotation	5	LEU A 247 GLY A 277 ALA A 276 GLY A 265 ILE A 287	None	0.87A	3ektA-6grwA: undetectable	3ektA-6grwA: undetectable
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	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50	None NIU A 100 (-2.8A) NIU A 100 (-3.6A) None NIU A 100 ( 3.8A) NIU A 100 (-3.9A)	1.43A	3ektA-6upjA: 18.1	3ektA-6upjA: 47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	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)	0.77A	3ektA-6upjA: 18.1	3ektA-6upjA: 47.47

[["3EKT_B_017B200_1","1ekq","Bacillus subtilis","HYDROXYETHYLTHIAZOLE KINASE","PF02110(HK)",5,"LEU A 215;ALA A 119;VAL A 204;GLY A 122;ILE A 167","None","0.93A","3ektA-1ekqA:undetectable","3ektA-1ekqA:16.91"],["3EKT_B_017B200_1","1f3g","Escherichia coli","GLUCOSE-SPECIFIC PHOSPHOCARRIER PROTEIN IIAGLC","PF00358(PTS_EIIA_1)",5,"LEU A  26;GLY A 159;ASP A 117;VAL A 119;ILE A  22","None","1.05A","3ektA-1f3gA:undetectable","3ektA-1f3gA:17.61"],["3EKT_B_017B200_1","1foh","Cutaneotrichosporon cutaneum","PHENOL HYDROXYLASE","PF01494(FAD_binding_3);PF07976(Phe_hydrox_dim)",5,"LEU A 235;ALA A 358;ASP A 357;GLY A  14;ILE A  12","None;None;FAD A 801 (-2.9A);FAD A 801 (-3.1A);None","1.02A","3ektA-1fohA:undetectable","3ektA-1fohA:9.13"],["3EKT_B_017B200_1","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)","1.21A","3ektA-1hvcA:13.8","3ektA-1hvcA:46.31"],["3EKT_B_017B200_1","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)","1.23A","3ektA-1hvcA:13.8","3ektA-1hvcA:46.31"],["3EKT_B_017B200_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;VAL A  32;GLY A  48","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.4A);A79 A 800 (-3.6A)","0.95A","3ektA-1hvcA:13.8","3ektA-1hvcA:46.31"],["3EKT_B_017B200_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;VAL A  32;GLY A  48","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.3A);A79 A 800 (-4.1A)","0.99A","3ektA-1hvcA:13.8","3ektA-1hvcA:46.31"],["3EKT_B_017B200_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 ( 4.4A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A)","0.35A","3ektA-1hvcA:13.8","3ektA-1hvcA:46.31"],["3EKT_B_017B200_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 ( 4.3A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A)","0.35A","3ektA-1hvcA:13.8","3ektA-1hvcA:46.31"],["3EKT_B_017B200_1","1jik","Staphylococcus aureus","TYROSYL-TRNA SYNTHETASE","PF00579(tRNA-synt_1b)",5,"LEU A  46;GLY A  38;ASP A  80;GLY A 193;ILE A 221","545 A 421 ( 3.9A);545 A 421 (-4.2A);545 A 421 (-3.4A);545 A 421 (-3.6A);None","0.94A","3ektA-1jikA:undetectable","3ektA-1jikA:12.77"],["3EKT_B_017B200_1","1o5w","Rattus norvegicus","AMINE OXIDASE [FLAVIN-CONTAINING] A","PF01593(Amino_oxidase)",5,"LEU A 233;ALA A  29;VAL A 238;GLY A  22;ILE A  23","None;None;None;FAD A 652 (-3.4A);FAD A 652 (-4.8A)","0.86A","3ektA-1o5wA:undetectable","3ektA-1o5wA:12.21"],["3EKT_B_017B200_1","1oh2","Salmonella enterica","SUCROSE SPECIFIC PORIN","PF02264(LamB)",5,"LEU Q 161;GLY Q 207;ALA Q 206;ASP Q 189;GLY Q 323","None","1.04A","3ektA-1oh2Q:undetectable","3ektA-1oh2Q:14.11"],["3EKT_B_017B200_1","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32","None","0.52A","3ektA-1q9pA:10.4","3ektA-1q9pA:88.42"],["3EKT_B_017B200_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",5,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  48","None","0.84A","3ektA-1sivA:18.6","3ektA-1sivA:48.48"],["3EKT_B_017B200_1","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","1.24A","3ektA-1sivA:18.6","3ektA-1sivA:48.48"],["3EKT_B_017B200_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","None","0.37A","3ektA-1sivA:18.6","3ektA-1sivA:48.48"],["3EKT_B_017B200_1","1svv","Leishmania major","THREONINE ALDOLASE","PF01212(Beta_elim_lyase)",5,"LEU A 265;GLY A 219;ALA A 214;GLY A 254;ILE A 255","None","1.03A","3ektA-1svvA:undetectable","3ektA-1svvA:15.62"],["3EKT_B_017B200_1","1tlg","Polyandrocarpa misakiensis","POLYANDROCARPA LECTIN","PF00059(Lectin_C)",5,"LEU A  81;GLY A  56;ALA A  57;ASP A  58;GLY A  72","None","0.86A","3ektA-1tlgA:undetectable","3ektA-1tlgA:18.71"],["3EKT_B_017B200_1","1v5f","Aerococcus viridans","PYRUVATE OXIDASE","PF00205(TPP_enzyme_M);PF02775(TPP_enzyme_C);PF02776(TPP_enzyme_N)",5,"GLY A 390;ASP A 442;VAL A 466;GLY A 418;ILE A 419","TPP A1602 ( 3.9A); MG A1603 ( 2.8A);None;None;None","1.02A","3ektA-1v5fA:undetectable","3ektA-1v5fA:10.63"],["3EKT_B_017B200_1","1vhc","Haemophilus influenzae","PUTATIVE KHG\/KDPG ALDOLASE","PF01081(Aldolase)",5,"LEU A  82;GLY A  87;ALA A  88;ASP A  89;ILE A  29","None","0.90A","3ektA-1vhcA:undetectable","3ektA-1vhcA:18.10"],["3EKT_B_017B200_1","1ys9","Streptococcus pyogenes","PROTEIN SPY1043","PF13242(Hydrolase_like);PF13344(Hydrolase_6)",5,"LEU A 191;GLY A 215;ALA A 214;GLY A 205;ILE A 223","None","1.06A","3ektA-1ys9A:undetectable","3ektA-1ys9A:16.60"],["3EKT_B_017B200_1","2b3x","Homo sapiens","IRON-RESPONSIVE ELEMENT BINDING PROTEIN 1","PF00330(Aconitase);PF00694(Aconitase_C)",5,"LEU A 669;GLY A 672;ALA A 770;VAL A 795;GLY A 775","None","0.96A","3ektA-2b3xA:undetectable","3ektA-2b3xA:7.96"],["3EKT_B_017B200_1","2cvj","Thermus thermophilus","THIOREDOXIN REDUCTASE RELATED PROTEIN","PF00890(FAD_binding_2);PF07992(Pyr_redox_2)",5,"LEU A 170;GLY A  24;ALA A  23;ASP A 177;VAL A 164","None","0.97A","3ektA-2cvjA:undetectable","3ektA-2cvjA:18.58"],["3EKT_B_017B200_1","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","0.86A","3ektA-2dwsA:undetectable","3ektA-2dwsA:15.14"],["3EKT_B_017B200_1","2ewn","Escherichia coli","BIRA BIFUNCTIONAL PROTEIN","PF02237(BPL_C);PF03099(BPL_LplA_LipB);PF08279(HTH_11)",5,"LEU A 131;GLY A 186;ALA A 185;GLY A 154;ILE A 153","None;BTX A 501 (-3.3A);None;None;None","0.92A","3ektA-2ewnA:undetectable","3ektA-2ewnA:18.77"],["3EKT_B_017B200_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  54","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);None;LP1 A 201 (-3.6A)","0.89A","3ektA-2fmbA:15.2","3ektA-2fmbA:31.73"],["3EKT_B_017B200_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  55","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);None;LP1 A 201 (-3.4A)","0.37A","3ektA-2fmbA:15.2","3ektA-2fmbA:31.73"],["3EKT_B_017B200_1","2m1i","Cenarchaeum symbiosum","PARVULIN-LIKE PEPTIDYL-PROLYL ISOMERASE","PF13616(Rotamase_3)",5,"LEU A  16;ASP A  46;GLY A  48;ASP A  53;GLY A  57","None","0.93A","3ektA-2m1iA:undetectable","3ektA-2m1iA:19.81"],["3EKT_B_017B200_1","2q04","Exiguobacterium sibiricum","ACETOIN UTILIZATION PROTEIN","PF00583(Acetyltransf_1)",5,"LEU A 115;GLY A  22;ASP A 122;GLY A  60;ILE A  54","None","1.03A","3ektA-2q04A:undetectable","3ektA-2q04A:19.63"],["3EKT_B_017B200_1","2q2r","Trypanosoma cruzi","GLUCOKINASE 1, PUTATIVE","PF02685(Glucokinase)",5,"LEU A 179;GLY A 188;ASP A 131;GLY A 306;ILE A 309","None;BGC A1001 (-3.5A);BGC A1001 (-3.0A);None;None","1.02A","3ektA-2q2rA:undetectable","3ektA-2q2rA:14.29"],["3EKT_B_017B200_1","2qe6","Thermobifida fusca","UNCHARACTERIZED PROTEIN TFU_2867","PF04672(Methyltransf_19)",5,"ASP A 110;GLY A  86;ASP A  82;VAL A 136;GLY A 164","SAM A 400 (-2.7A);SAM A 400 ( 3.2A);None;SAM A 400 (-3.8A);SAM A 400 (-3.5A)","1.03A","3ektA-2qe6A:undetectable","3ektA-2qe6A:17.05"],["3EKT_B_017B200_1","2rgj","Pseudomonas aeruginosa","FLAVIN-CONTAINING MONOOXYGENASE","PF01494(FAD_binding_3)",5,"LEU A 175;ALA A 311;ASP A 310;GLY A  11;ILE A   9","None;None;FAD A 403 (-2.7A);FAD A 403 (-3.2A);None","0.99A","3ektA-2rgjA:undetectable","3ektA-2rgjA:16.93"],["3EKT_B_017B200_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A)","1.34A","3ektA-2rkfA:20.8","3ektA-2rkfA:82.83"],["3EKT_B_017B200_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A)","0.35A","3ektA-2rkfA:20.8","3ektA-2rkfA:82.83"],["3EKT_B_017B200_1","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",5,"LEU A  35;ASP A  37;GLY A  39;ALA A  40;ASP A  41","None","0.25A","3ektA-2rspA:12.9","3ektA-2rspA:31.20"],["3EKT_B_017B200_1","2vn8","Homo sapiens","RETICULON-4-INTERACTING PROTEIN 1","PF08240(ADH_N);PF13602(ADH_zinc_N_2)",5,"LEU A 243;GLY A 248;ALA A 249;ASP A 250;ASP A 251","None","0.75A","3ektA-2vn8A:undetectable","3ektA-2vn8A:14.25"],["3EKT_B_017B200_1","2y89","Mycobacterium tuberculosis","PHOSPHORIBOSYL ISOMERASE A","PF00977(His_biosynth)",5,"ASP A 171;GLY A 176;ASP A 184;GLY A 136;ILE A 134","None","0.99A","3ektA-2y89A:undetectable","3ektA-2y89A:16.88"],["3EKT_B_017B200_1","2z5x","Homo sapiens","AMINE OXIDASE [FLAVIN-CONTAINING] A","PF01593(Amino_oxidase)",5,"LEU A 233;ALA A  29;VAL A 238;GLY A  22;ILE A  23","None;None;None;FAD A 600 (-3.2A);FAD A 600 (-4.9A)","0.81A","3ektA-2z5xA:undetectable","3ektA-2z5xA:12.67"],["3EKT_B_017B200_1","3a05","Aeropyrum pernix","TRYPTOPHANYL-TRNA SYNTHETASE","PF00579(tRNA-synt_1b)",5,"GLY A 215;ALA A 216;ASP A 219;GLY A  54;ILE A  52","None","1.04A","3ektA-3a05A:undetectable","3ektA-3a05A:12.88"],["3EKT_B_017B200_1","3bqx","Fulvimarina pelagi","GLYOXALASE-RELATED ENZYME","PF00903(Glyoxalase)",5,"LEU A  86;GLY A 111;ALA A 101;ASP A 102;GLY A 108","None","1.04A","3ektA-3bqxA:undetectable","3ektA-3bqxA:20.53"],["3EKT_B_017B200_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","1.00A","3ektA-3c8tA:undetectable","3ektA-3c8tA:11.90"],["3EKT_B_017B200_1","3eeq","Sulfolobus solfataricus","PUTATIVE COBALAMIN BIOSYNTHESIS PROTEIN G HOMOLOG","PF01890(CbiG_C);PF11760(CbiG_N)",5,"LEU A 318;GLY A 219;ALA A 306;GLY A 250;ILE A 249","None","0.94A","3ektA-3eeqA:undetectable","3ektA-3eeqA:20.70"],["3EKT_B_017B200_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","0.84A","3ektA-3i5gA:undetectable","3ektA-3i5gA:8.12"],["3EKT_B_017B200_1","3jv7","Rhodococcus ruber","ADH-A","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"LEU A 211;GLY A 216;ALA A 217;ASP A 218;ILE A 190","None","0.68A","3ektA-3jv7A:undetectable","3ektA-3jv7A:18.85"],["3EKT_B_017B200_1","3l6e","Aeromonas hydrophila","OXIDOREDUCTASE, SHORT-CHAIN DEHYDROGENASE\/REDUCTASE FAMILY","PF00106(adh_short)",5,"GLY A  34;ALA A  56;ASP A  57;ASP A  63;VAL A  66","SO4 A 500 (-3.3A);None;None;None;None","1.04A","3ektA-3l6eA:undetectable","3ektA-3l6eA:17.04"],["3EKT_B_017B200_1","3lp6","Mycobacterium tuberculosis","PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE CATALYTIC SUBUNIT","PF00731(AIRC)",5,"GLY A  71;ALA A  70;ASP A  19;GLY A 122;ILE A 121","FMT A 175 (-4.1A);FMT A 175 ( 4.3A);FMT A 175 (-3.5A);None;None","1.07A","3ektA-3lp6A:undetectable","3ektA-3lp6A:17.14"],["3EKT_B_017B200_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;VAL A  32;GLY A  48","None","0.82A","3ektA-3mwsA:19.8","3ektA-3mwsA:74.75"],["3EKT_B_017B200_1","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","3ektA-3mwsA:19.8","3ektA-3mwsA:74.75"],["3EKT_B_017B200_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50","None","0.46A","3ektA-3mwsA:19.8","3ektA-3mwsA:74.75"],["3EKT_B_017B200_1","3njx","Aspergillus aculeatus","RHAMNOGALACTURONASE B","PF09284(RhgB_N);PF14683(CBM-like);PF14686(fn3_3)",5,"GLY A 346;ASP A 349;VAL A 336;GLY A 420;ILE A 419","None; CA A 800 (-2.9A);None;None;None","1.05A","3ektA-3njxA:undetectable","3ektA-3njxA:11.83"],["3EKT_B_017B200_1","3p4g","Marinomonas primoryensis","ANTIFREEZE PROTEIN","no annotation",5,"ASP A 103;GLY A  99;ALA A  98;VAL A 124;GLY A 137"," CA A 403 ( 2.4A); CA A 403 (-4.1A); CA A 404 (-4.5A);None; CA A 405 (-4.1A)","1.01A","3ektA-3p4gA:undetectable","3ektA-3p4gA:13.08"],["3EKT_B_017B200_1","3qbd","Mycobacterium tuberculosis","3-DEHYDROQUINATE SYNTHASE","PF01761(DHQ_synthase)",6,"LEU A  48;GLY A 106;ALA A 109;ASP A 111;VAL A  43;GLY A  77","None;NAD A 400 (-3.1A);None;NAD A 400 (-3.1A);None;None","1.35A","3ektA-3qbdA:undetectable","3ektA-3qbdA:16.51"],["3EKT_B_017B200_1","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",6,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;VAL A  39;GLY A  56","None;3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);None;3TL A 126 (-3.4A)","0.50A","3ektA-3slzA:11.5","3ektA-3slzA:26.67"],["3EKT_B_017B200_1","3ss6","Bacillus anthracis","ACETYL-COA ACETYLTRANSFERASE","PF00108(Thiolase_N);PF02803(Thiolase_C)",5,"GLY A 353;ALA A 354;VAL A 254;GLY A 251;ILE A  14","CSO A  88 ( 4.4A);None;None;None;None","1.07A","3ektA-3ss6A:undetectable","3ektA-3ss6A:14.29"],["3EKT_B_017B200_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;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 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);017 A 201 (-3.3A)","1.22A","3ektA-3t3cA:18.7","3ektA-3t3cA:79.80"],["3EKT_B_017B200_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);None;017 A 201 (-4.0A);017 A 201 (-3.3A)","0.38A","3ektA-3t3cA:18.7","3ektA-3t3cA:79.80"],["3EKT_B_017B200_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-4.6A);017 A 201 (-3.0A);017 A 201 (-3.3A)","0.26A","3ektA-3ttpA:19.8","3ektA-3ttpA:77.78"],["3EKT_B_017B200_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","None;017 A 202 ( 2.5A);017 A 201 (-3.4A);017 A 201 ( 4.0A);017 A 202 (-2.9A);017 A 201 ( 3.5A)","1.25A","3ektA-3u7sA:20.2","3ektA-3u7sA:76.77"],["3EKT_B_017B200_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);017 A 202 (-2.9A);017 A 201 ( 3.5A)","0.27A","3ektA-3u7sA:20.2","3ektA-3u7sA:76.77"],["3EKT_B_017B200_1","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29","None","0.25A","3ektA-3uhlA:16.3","3ektA-3uhlA:76.77"],["3EKT_B_017B200_1","3ujg","Arabidopsis thaliana","SERINE\/THREONINE-PROTEIN KINASE SRK2E","PF00069(Pkinase)",5,"LEU A 156;GLY A 100;ALA A  97;VAL A  78;GLY A  30","None","1.01A","3ektA-3ujgA:undetectable","3ektA-3ujgA:18.68"],["3EKT_B_017B200_1","3uzu","Burkholderia pseudomallei","RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE A","PF00398(RrnaAD)",5,"LEU A  88;GLY A  48;VAL A  56;GLY A 116;ILE A  45","None","1.04A","3ektA-3uzuA:undetectable","3ektA-3uzuA:20.00"],["3EKT_B_017B200_1","3zyx","Homo sapiens","AMINE OXIDASE [FLAVIN-CONTAINING] B","PF01593(Amino_oxidase)",5,"LEU A 224;ALA A  20;VAL A 229;GLY A  13;ILE A  14","None;None;None;FAD A 600 (-3.4A);FAD A 600 (-4.8A)","0.85A","3ektA-3zyxA:undetectable","3ektA-3zyxA:12.98"],["3EKT_B_017B200_1","4b7j","Influenza A virus","NEURAMINIDASE","PF00064(Neur)",6,"LEU A 426;ASP A 459;GLY A 460;ALA A 461;GLY A 109;ILE A 108","None","1.25A","3ektA-4b7jA:undetectable","3ektA-4b7jA:10.58"],["3EKT_B_017B200_1","4bmb","Homo sapiens","GALECTIN-8","PF00337(Gal-bind_lectin)",5,"GLY A 127;ASP A 112;VAL A 109;GLY A 131;ILE A 130","None","0.99A","3ektA-4bmbA:undetectable","3ektA-4bmbA:21.43"],["3EKT_B_017B200_1","4bo6","Pseudomonas aeruginosa","3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG","PF13561(adh_short_C2)",5,"LEU A 117;GLY A  91;ALA A  90;GLY A  18;ILE A  17","None","0.98A","3ektA-4bo6A:undetectable","3ektA-4bo6A:16.67"],["3EKT_B_017B200_1","4dqa","Bacteroides ovatus","UNCHARACTERIZED PROTEIN","PF08522(DUF1735);PF13385(Laminin_G_3)",6,"LEU A 193;GLY A 168;ASP A 197;VAL A 196;GLY A 292;ILE A 291","None","1.30A","3ektA-4dqaA:undetectable","3ektA-4dqaA:14.24"],["3EKT_B_017B200_1","4g1p","Saccharomyces cerevisiae","CYS-GLY METALLODIPEPTIDASE DUG1","PF01546(Peptidase_M20);PF07687(M20_dimer)",5,"LEU A 121;GLY A 140;ASP A 138;ASP A 137;GLY A 443","None;None;None; ZN A 501 (-2.3A);None","1.07A","3ektA-4g1pA:undetectable","3ektA-4g1pA:12.58"],["3EKT_B_017B200_1","4gpc","Corynebacterium diphtheriae","HEME OXYGENASE","PF01126(Heme_oxygenase)",5,"LEU A  87;ASP A  86;GLY A 159;ASP A 154;ILE A 143","None","1.05A","3ektA-4gpcA:undetectable","3ektA-4gpcA:19.44"],["3EKT_B_017B200_1","4ida","Fragaria vesca","RIPENING-INDUCED PROTEIN","PF08240(ADH_N);PF13602(ADH_zinc_N_2)",5,"LEU A 203;GLY A 208;ALA A 209;ASP A 210;ILE A 179","None","0.83A","3ektA-4idaA:undetectable","3ektA-4idaA:16.78"],["3EKT_B_017B200_1","4il5","Entamoeba histolytica","CYSTEINE SYNTHASE","PF00291(PALP)",5,"LEU A  75;GLY A  97;ALA A  96;GLY A  90;ILE A 106","None","1.01A","3ektA-4il5A:undetectable","3ektA-4il5A:18.10"],["3EKT_B_017B200_1","4kkm","Zymomonas mobilis","POLYPRENYL SYNTHETASE","PF00348(polyprenyl_synt)",5,"ALA A 224;ASP A 225;ASP A 226;GLY A 218;ILE A 217","None","0.99A","3ektA-4kkmA:undetectable","3ektA-4kkmA:18.43"],["3EKT_B_017B200_1","4lgn","Acidothermus cellulolyticus","CELLULOSE-BINDING, FAMILY II","no annotation",5,"LEU A 304;GLY A 129;ASP A  21;GLY A 263;ILE A 242","None","1.03A","3ektA-4lgnA:undetectable","3ektA-4lgnA:9.31"],["3EKT_B_017B200_1","4maa","Pseudomonas protegens","PUTATIVE BRANCHED-CHAIN AMINO ACID ABC TRANSPORTER, PERIPLASMIC AMINO ACID-BINDING PROTEIN","PF13458(Peripla_BP_6)",5,"LEU A 105;GLY A 128;ALA A 129;ASP A 130;GLY A 179","GOL A 503 ( 4.4A);GOL A 503 (-3.7A);None;None;None","0.93A","3ektA-4maaA:undetectable","3ektA-4maaA:13.15"],["3EKT_B_017B200_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;VAL A  32;GLY A  48","RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 (-4.8A)","0.82A","3ektA-4njvA:20.5","3ektA-4njvA:86.87"],["3EKT_B_017B200_1","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","3ektA-4njvA:20.5","3ektA-4njvA:86.87"],["3EKT_B_017B200_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 (-3.4A);RIT A 500 (-4.3A)","0.46A","3ektA-4njvA:20.5","3ektA-4njvA:86.87"],["3EKT_B_017B200_1","4paf","Ruegeria pomeroyi","TRAP DICARBOXYLATE TRANSPORTER, DCTP SUBUNIT, PUTATIVE","PF03480(DctP)",5,"GLY A 138;ALA A 137;VAL A  95;GLY A 141;ILE A 241","None","0.99A","3ektA-4pafA:undetectable","3ektA-4pafA:14.41"],["3EKT_B_017B200_1","4qpn","Homo sapiens","PROTEIN-LYSINE METHYLTRANSFERASE METTL21B","PF10294(Methyltransf_16)",5,"LEU A 105;ASP A 104;GLY A  85;ALA A  84;GLY A 149","SAH A 301 (-4.2A);SAH A 301 (-2.8A);SAH A 301 (-3.3A);None;None","1.05A","3ektA-4qpnA:undetectable","3ektA-4qpnA:19.27"],["3EKT_B_017B200_1","4rlb","Acinetobacter baumannii","CARBAPENEM-ASSOCIATED RESISTANCE PROTEIN","no annotation",5,"GLY A 196;ASP A 201;ASP A 123;GLY A 192;ILE A 188","None","1.04A","3ektA-4rlbA:undetectable","3ektA-4rlbA:16.46"],["3EKT_B_017B200_1","4tqk","Agrocybe aegerita","LECTIN 2","PF13517(VCBS)",5,"ASP A 345;GLY A 350;ASP A 290;VAL A 343;GLY A 371","None","0.87A","3ektA-4tqkA:undetectable","3ektA-4tqkA:14.78"],["3EKT_B_017B200_1","4ttp","Legionella pneumophila","DEPHOSPHO-COA KINASE","PF01121(CoaE)",5,"LEU A 168;ALA A 175;ASP A 176;ASP A 177;GLY A  12","None","1.05A","3ektA-4ttpA:undetectable","3ektA-4ttpA:18.91"],["3EKT_B_017B200_1","4wwy","Homo sapiens","TRYPSIN-1","PF00089(Trypsin)",5,"LEU A  99;ASP A 102;GLY A  56;ALA A  55;VAL A 213","None","1.05A","3ektA-4wwyA:undetectable","3ektA-4wwyA:24.50"],["3EKT_B_017B200_1","4xky","Bacteroides thetaiotaomicron","DIHYDRODIPICOLINATE SYNTHASE","PF00701(DHDPS)",5,"LEU A  94;GLY A  99;ALA A 100;ASP A 101;ILE A  69","None;None;None;MHO A   1 ( 3.2A);None","0.90A","3ektA-4xkyA:undetectable","3ektA-4xkyA:14.90"],["3EKT_B_017B200_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",7,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;ASP A  36;VAL A  39;GLY A  58","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);None;4B1 A 201 (-3.4A)","0.61A","3ektA-4ydfA:12.8","3ektA-4ydfA:32.48"],["3EKT_B_017B200_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","0.82A","3ektA-5b18A:18.5","3ektA-5b18A:76.77"],["3EKT_B_017B200_1","5bw4","Catenulispora acidiphila","16S RRNA (ADENINE(1408)-N(1))-METHYLTRANSFERASE","no annotation",5,"GLY A 138;ALA A 139;ASP A 105;VAL A 107;GLY A 102","None","1.03A","3ektA-5bw4A:undetectable","3ektA-5bw4A:14.51"],["3EKT_B_017B200_1","5cwa","Mycobacterium tuberculosis","ANTHRANILATE SYNTHASE COMPONENT 1","PF00425(Chorismate_bind);PF04715(Anth_synt_I_N)",5,"LEU A 125;ASP A 447;GLY A 450;ALA A 449;ASP A 115","None","1.05A","3ektA-5cwaA:undetectable","3ektA-5cwaA:11.16"],["3EKT_B_017B200_1","5ej1","Rhodobacter sphaeroides","PUTATIVE CELLULOSE SYNTHASE","PF00535(Glycos_transf_2);PF03552(Cellulose_synt);PF07238(PilZ)",5,"LEU A 688;GLY A 614;VAL A 681;GLY A 655;ILE A 637","None;C2E A 919 (-3.4A);None;None;None","0.86A","3ektA-5ej1A:undetectable","3ektA-5ej1A:9.05"],["3EKT_B_017B200_1","5gzg","Homo sapiens","GALECTIN-8","PF00337(Gal-bind_lectin)",5,"GLY A 127;ASP A 112;VAL A 109;GLY A 131;ILE A 130","None","1.00A","3ektA-5gzgA:undetectable","3ektA-5gzgA:20.53"],["3EKT_B_017B200_1","5hu4","Listeria monocytogenes","CYSTEINE PROTEASE","PF04203(Sortase)",5,"LEU A  79;GLY A 131;ASP A  75;VAL A  15;ILE A 115","None","0.96A","3ektA-5hu4A:undetectable","3ektA-5hu4A:19.72"],["3EKT_B_017B200_1","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","1.24A","3ektA-5t2zA:20.4","3ektA-5t2zA:81.82"],["3EKT_B_017B200_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50","None","0.22A","3ektA-5t2zA:20.4","3ektA-5t2zA:81.82"],["3EKT_B_017B200_1","5ufm","Burkholderia thailandensis","METHYLTRANSFERASE DOMAIN PROTEIN","no annotation",5,"ASP A  95;GLY A  76;ASP A  72;VAL A 120;GLY A 136","SAH A 301 (-2.7A);SAH A 301 (-3.6A);None;SAH A 301 (-4.1A);AZ8 A 302 ( 3.5A)","0.91A","3ektA-5ufmA:undetectable","3ektA-5ufmA:17.71"],["3EKT_B_017B200_1","5w1a","Drosophila melanogaster","MYOSIN HEAVY CHAIN, MUSCLE","no annotation",6,"GLY A 259;ALA A 260;ASP A 261;VAL A 219;GLY A 457;ILE A 456","None","1.29A","3ektA-5w1aA:undetectable","3ektA-5w1aA:20.72"],["3EKT_B_017B200_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"LEU A  28;ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);3TL A 201 (-3.4A)","0.19A","3ektA-6fivA:15.8","3ektA-6fivA:29.20"],["3EKT_B_017B200_1","6gbc","Arabidopsis thaliana","MOLYBDOPTERIN BIOSYNTHESIS PROTEIN CNX1","no annotation",5,"GLY A 181;ALA A 180;VAL A 162;GLY A 175;ILE A 174","None","1.02A","3ektA-6gbcA:undetectable","3ektA-6gbcA:undetectable"],["3EKT_B_017B200_1","6grw","-","-","no annotation",5,"LEU A 247;GLY A 277;ALA A 276;GLY A 265;ILE A 287","None","0.87A","3ektA-6grwA:undetectable","3ektA-6grwA:undetectable"],["3EKT_B_017B200_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","None;NIU A 100 (-2.8A);NIU A 100 (-3.6A);None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A)","1.43A","3ektA-6upjA:18.1","3ektA-6upjA:47.47"],["3EKT_B_017B200_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","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)","0.77A","3ektA-6upjA:18.1","3ektA-6upjA:47.47"]]