SIMILAR PATTERNS OF AMINO ACIDS FOR 3MWS_B_017B201_1

List of similar pattern of amino acids derived from ASSAM search

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

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

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	Hit	Macromolecule/ Organism	Pfam	Res.	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1azz	COLLAGENASE (Leptuca pugilator)	PF00089 (Trypsin)	5	ASP A 37 GLY A 61 ALA A 61 ASP A 60 ILE A 35	None	1.03A	3mwsA-1azzA: undetectable	3mwsA-1azzA: 18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	LEU E 30 ASP E 32 GLY E 34 ASP E 37 ILE E 120	None	0.68A	3mwsA-1cziE: 7.1	3mwsA-1cziE: 17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1fob	BETA-1,4-GALACTANASE (Aspergillus aculeatus)	PF07745 (Glyco_hydro_53)	5	GLY A 40 ALA A 39 ASP A 38 ILE A 44 ILE A 328	None	0.86A	3mwsA-1fobA: undetectable	3mwsA-1fobA: 15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1h74	HOMOSERINE KINASE (Methanocaldococcus jannaschii)	PF00288 (GHMP_kinases_N) PF08544 (GHMP_kinases_C)	5	LEU A 112 GLY A 80 GLY A 65 ILE A 48 ILE A 109	None	1.02A	3mwsA-1h74A: undetectable	3mwsA-1h74A: 14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 30 VAL A 32 PRO A 81 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 ( 4.4A) A79 A 800 ( 3.9A) A79 A 800 (-3.6A)	0.52A	3mwsA-1hvcA: 13.1	3mwsA-1hvcA: 40.89
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 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 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 ( 4.4A) A79 A 800 (-3.8A) A79 A 800 (-3.6A)	0.53A	3mwsA-1hvcA: 13.1	3mwsA-1hvcA: 40.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 50 PRO A 81 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 ( 4.3A) A79 A 800 ( 4.0A) A79 A 800 ( 3.4A) A79 A 800 (-3.8A)	0.53A	3mwsA-1hvcA: 13.1	3mwsA-1hvcA: 40.89
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 VAL A 32 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 (-2.8A) A79 A 800 ( 4.4A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 (-3.6A)	0.37A	3mwsA-1hvcA: 13.1	3mwsA-1hvcA: 40.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 ILE A 50 PRO A 81 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.3A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A) A79 A 800 ( 3.4A) A79 A 800 (-3.8A)	0.44A	3mwsA-1hvcA: 13.1	3mwsA-1hvcA: 40.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1lpf	DIHYDROLIPOAMIDE DEHYDROGENASE (Pseudomonas fluorescens)	PF02852 (Pyr_redox_dim) PF07992 (Pyr_redox_2)	5	LEU A 236 GLY A 189 ALA A 188 ILE A 362 ILE A 238	None	1.05A	3mwsA-1lpfA: undetectable	3mwsA-1lpfA: 12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1naa	CELLOBIOSE DEHYDROGENASE (Phanerochaete chrysosporium)	PF00732 (GMC_oxred_N) PF05199 (GMC_oxred_C)	5	GLY A 223 ALA A 224 VAL A 407 GLY A 305 ILE A 229	6FA A 801 (-3.0A) 6FA A 801 ( 4.9A) None 6FA A 801 (-3.5A) None	1.00A	3mwsA-1naaA: undetectable	3mwsA-1naaA: 11.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1q9p	HIV-1 PROTEASE (Homo sapiens)	PF00077 (RVP)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 84	None	0.53A	3mwsA-1q9pA: 9.6	3mwsA-1q9pA: 78.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 50 ILE A 84	None	0.53A	3mwsA-1sivA: 19.1	3mwsA-1sivA: 49.49
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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 PRO A 81 ILE A 84	None	0.50A	3mwsA-1sivA: 19.1	3mwsA-1sivA: 49.49
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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	None	0.43A	3mwsA-1sivA: 19.1	3mwsA-1sivA: 49.49
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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 PRO A 81 ILE A 84	None	0.41A	3mwsA-1sivA: 19.1	3mwsA-1sivA: 49.49
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.	1to3	PUTATIVE ALDOLASE YIHT (Salmonella enterica)	PF01791 (DeoC)	5	LEU A 184 GLY A 188 ALA A 189 ASP A 190 ILE A 158	None	0.83A	3mwsA-1to3A: undetectable	3mwsA-1to3A: 18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1v5f	PYRUVATE OXIDASE (Aerococcus viridans)	PF00205 (TPP_enzyme_M) PF02775 (TPP_enzyme_C) PF02776 (TPP_enzyme_N)	5	ASP A 388 ALA A 444 ASP A 442 VAL A 466 ILE A 440	None TPP A1602 (-3.7A) MG A1603 ( 2.8A) None None	0.83A	3mwsA-1v5fA: undetectable	3mwsA-1v5fA: 10.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.86A	3mwsA-1v5fA: undetectable	3mwsA-1v5fA: 10.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1v5j	KIAA1355 PROTEIN (Homo sapiens)	PF00041 (fn3)	5	GLY A 85 ALA A 84 VAL A 33 GLY A 60 PRO A 11	None	1.02A	3mwsA-1v5jA: undetectable	3mwsA-1v5jA: 20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1yb0	PROPHAGE LAMBDABA02, N-ACETYLMURAMOYL-L-A LANINE AMIDASE, FAMILY 2 (Bacillus anthracis)	PF01510 (Amidase_2)	5	ALA A 104 ASP A 59 ASP A 58 GLY A 97 ILE A 91	None	0.99A	3mwsA-1yb0A: undetectable	3mwsA-1yb0A: 20.13
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.	1yg0	COP ASSOCIATED PROTEIN (Helicobacter pylori)	PF00403 (HMA)	5	GLY A 62 ALA A 61 ASP A 60 VAL A 23 ILE A 19	None	1.03A	3mwsA-1yg0A: undetectable	3mwsA-1yg0A: 24.27
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.	1yr2	PROLYL OLIGOPEPTIDASE (Novosphingobium capsulatum)	PF00326 (Peptidase_S9) PF02897 (Peptidase_S9_N)	5	GLY A 539 ALA A 538 ASP A 537 GLY A 529 PRO A 475	None	1.06A	3mwsA-1yr2A: undetectable	3mwsA-1yr2A: 9.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2ash	QUEUINE TRNA-RIBOSYLTRANSFER ASE (Thermotoga maritima)	PF01702 (TGT)	5	GLY A 50 ALA A 49 ASP A 45 ILE A 53 ILE A 332	None	1.05A	3mwsA-2ashA: undetectable	3mwsA-2ashA: 14.87
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.	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	1.05A	3mwsA-2cvjA: undetectable	3mwsA-2cvjA: 20.11
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)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 55 PRO A 86 ILE A 89	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) None LP1 A 201 (-3.4A) LP1 A 201 (-3.9A) LP1 A 201 (-4.2A)	0.34A	3mwsA-2fmbA: 15.7	3mwsA-2fmbA: 35.24
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.	2g4r	MOLYBDOPTERIN BIOSYNTHESIS MOG PROTEIN (Mycobacterium tuberculosis)	PF00994 (MoCF_biosynth)	5	GLY A 115 ASP A 97 GLY A 118 ILE A 125 ILE A 99	None TRS A 301 (-2.8A) None None None	0.85A	3mwsA-2g4rA: undetectable	3mwsA-2g4rA: 24.82
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.	2n7p	PUTATIVE UNCHARACTERIZED PROTEIN (Trypanosoma brucei)	no annotation	5	GLY A 49 ALA A 48 VAL A 101 ILE A 25 ILE A 99	None	1.06A	3mwsA-2n7pA: undetectable	3mwsA-2n7pA: 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.	2p18	GLYOXALASE II (Leishmania infantum)	PF00753 (Lactamase_B) PF16123 (HAGH_C)	5	LEU A 160 GLY A 163 GLY A 170 ILE A 171 ILE A 206	None	1.06A	3mwsA-2p18A: undetectable	3mwsA-2p18A: 15.20
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.	2p2s	PUTATIVE OXIDOREDUCTASE (Pectobacterium atrosepticum)	PF01408 (GFO_IDH_MocA) PF02894 (GFO_IDH_MocA_C)	5	LEU A 250 GLY A 136 ALA A 135 ILE A 127 ILE A 261	None	0.84A	3mwsA-2p2sA: undetectable	3mwsA-2p2sA: 18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2pl1	TRANSCRIPTIONAL REGULATORY PROTEIN PHOP (Escherichia coli)	PF00072 (Response_reg)	5	LEU A 60 GLY A 94 ALA A 95 ASP A 96 VAL A 50	None	1.06A	3mwsA-2pl1A: undetectable	3mwsA-2pl1A: 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.	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	0.96A	3mwsA-2q2rA: undetectable	3mwsA-2q2rA: 16.07
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 PRO A 81 ILE A 84	None AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-4.2A) AB1 A 501 ( 4.2A)	0.50A	3mwsA-2rkfA: 19.6	3mwsA-2rkfA: 70.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 PRO A 81 ILE A 84	None AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 (-4.2A) AB1 A 501 ( 4.2A)	0.43A	3mwsA-2rkfA: 19.6	3mwsA-2rkfA: 70.71
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 ALA A 40 ASP A 41 ILE A 71	None	0.99A	3mwsA-2rspA: 12.7	3mwsA-2rspA: 32.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	6	LEU A 35 ASP A 37 GLY A 39 ALA A 40 ASP A 41 ILE A 108	None	0.29A	3mwsA-2rspA: 12.7	3mwsA-2rspA: 32.00
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.	2wqp	POLYSIALIC ACID CAPSULE BIOSYNTHESIS PROTEIN SIAC (Neisseria meningitidis)	PF03102 (NeuB) PF08666 (SAF)	5	GLY A 302 ALA A 333 ASP A 347 GLY A 330 ILE A 299	None	1.07A	3mwsA-2wqpA: undetectable	3mwsA-2wqpA: 13.75
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.	3b8b	CYSQ, SULFITE SYNTHESIS PATHWAY PROTEIN (Bacteroides thetaiotaomicron)	PF00459 (Inositol_P)	5	ALA A 6 ASP A 5 VAL A 112 GLY A 11 ILE A 100	None	0.97A	3mwsA-3b8bA: undetectable	3mwsA-3b8bA: 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.	3dbg	PUTATIVE CYTOCHROME P450 (Streptomyces coelicolor)	PF00067 (p450)	5	GLY A 359 ALA A 360 ASP A 361 PRO A 24 ILE A 356	None	0.78A	3mwsA-3dbgA: undetectable	3mwsA-3dbgA: 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.	3ecd	SERINE HYDROXYMETHYLTRANSFE RASE 2 (Burkholderia pseudomallei)	PF00464 (SHMT)	5	LEU A 295 GLY A 216 ALA A 215 PRO A 370 ILE A 291	None	1.07A	3mwsA-3ecdA: undetectable	3mwsA-3ecdA: 14.21
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.	3gve	YFKN PROTEIN (Bacillus subtilis)	PF00149 (Metallophos)	5	GLY A 121 ALA A 122 ASP A 123 ILE A 89 ILE A 126	None	0.68A	3mwsA-3gveA: undetectable	3mwsA-3gveA: 16.01
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.	3i4o	TRANSLATION INITIATION FACTOR IF-1 (Mycobacterium tuberculosis)	PF01176 (eIF-1a)	5	LEU A 27 GLY A 66 ALA A 35 VAL A 14 ILE A 25	None	0.93A	3mwsA-3i4oA: undetectable	3mwsA-3i4oA: 23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.65A	3mwsA-3jv7A: undetectable	3mwsA-3jv7A: 13.62
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.	3l7g	XAA-PRO DIPEPTIDASE (Alteromonas sp.)	PF00557 (Peptidase_M24)	5	LEU A 391 GLY A 415 ALA A 223 GLY A 383 ILE A 387	None	0.98A	3mwsA-3l7gA: undetectable	3mwsA-3l7gA: 11.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3mdo	PUTATIVE PHOSPHORIBOSYLFORMYL GLYCINAMIDINE CYCLO-LIGASE (Parabacteroides distasonis)	PF02769 (AIRS_C)	5	LEU A 251 GLY A 256 ALA A 255 ILE A 319 ILE A 248	None	1.06A	3mwsA-3mdoA: undetectable	3mwsA-3mdoA: 14.73
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.	3mq0	TRANSCRIPTIONAL REPRESSOR OF THE BLCABC OPERON (Agrobacterium tumefaciens)	PF01614 (IclR) PF09339 (HTH_IclR)	5	LEU A 240 GLY A 254 VAL A 121 PRO A 118 ILE A 238	None	0.87A	3mwsA-3mq0A: undetectable	3mwsA-3mq0A: 15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3nd0	SLL0855 PROTEIN (Synechocystis sp. PCC 6803)	PF00654 (Voltage_CLC)	5	ARG A 170 LEU A 112 GLY A 176 ALA A 177 ILE A 108	None	1.03A	3mwsA-3nd0A: undetectable	3mwsA-3nd0A: 15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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)	0.98A	3mwsA-3p4gA: undetectable	3mwsA-3p4gA: 15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3qyq	DEOXYRIBOSE-PHOSPHAT E ALDOLASE, PUTATIVE (Toxoplasma gondii)	no annotation	5	ARG A 13 LEU A 16 ALA A 40 GLY A 72 ILE A 46	None	1.07A	3mwsA-3qyqA: undetectable	3mwsA-3qyqA: 17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	5	ASP A 32 GLY A 34 ALA A 35 VAL A 39 PRO A 89	3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) None 3TL A 126 (-4.0A)	0.61A	3mwsA-3slzA: 11.9	3mwsA-3slzA: 27.41
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.	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)	0.44A	3mwsA-3slzA: 11.9	3mwsA-3slzA: 27.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-3.8A) 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)	1.42A	3mwsA-3t3cA: 19.7	3mwsA-3t3cA: 69.70
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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 PRO A 81	SO4 A 101 (-3.8A) 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 (-4.0A) 017 A 201 (-3.3A) None	0.76A	3mwsA-3t3cA: 19.7	3mwsA-3t3cA: 69.70
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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 49 PRO A 81	SO4 A 101 (-3.8A) 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) None 017 A 201 (-4.0A) None	0.76A	3mwsA-3t3cA: 19.7	3mwsA-3t3cA: 69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 PRO A 81	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) None None	0.54A	3mwsA-3t3cA: 19.7	3mwsA-3t3cA: 69.70
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)	11	ARG A 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 PRO A 81 ILE A 84	017 A 201 ( 4.8A) 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) 017 A 201 (-4.1A) 017 A 201 (-4.7A)	0.42A	3mwsA-3ttpA: 19.9	3mwsA-3ttpA: 73.74
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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ASP A 30 PRO A 81	None None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 ( 4.0A) 017 A 202 (-4.0A)	0.58A	3mwsA-3u7sA: 19.7	3mwsA-3u7sA: 69.70
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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ILE A 50 PRO A 81	None None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 ( 3.5A) 017 A 202 (-4.0A)	0.58A	3mwsA-3u7sA: 19.7	3mwsA-3u7sA: 69.70
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)	1.24A	3mwsA-3u7sA: 19.7	3mwsA-3u7sA: 69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 PRO A 81	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) 017 A 202 (-4.0A)	0.52A	3mwsA-3u7sA: 19.7	3mwsA-3u7sA: 69.70
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 GLY A 49 ILE A 50 PRO A 81	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A) 017 A 202 (-4.0A)	0.42A	3mwsA-3u7sA: 19.7	3mwsA-3u7sA: 69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3uhl	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 PRO A 81	None	0.37A	3mwsA-3uhlA: 17.2	3mwsA-3uhlA: 70.71
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.	3up8	PUTATIVE 2,5-DIKETO-D-GLUCONI C ACID REDUCTASE B (Sinorhizobium meliloti)	PF00248 (Aldo_ket_red)	5	GLY A 8 ALA A 9 ASP A 100 GLY A 133 ILE A 11	None	1.00A	3mwsA-3up8A: undetectable	3mwsA-3up8A: 22.60
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.	3w1h	L-SERYL-TRNA(SEC) SELENIUM TRANSFERASE (Aquifex aeolicus)	PF03841 (SelA)	5	LEU A 211 GLY A 202 ALA A 203 GLY A 190 ILE A 160	None	0.94A	3mwsA-3w1hA: undetectable	3mwsA-3w1hA: 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.	3w1j	L-SERYL-TRNA(SEC) SELENIUM TRANSFERASE (Aquifex aeolicus)	PF03841 (SelA)	5	LEU A 211 GLY A 202 ALA A 203 GLY A 190 ILE A 160	None	0.91A	3mwsA-3w1jA: undetectable	3mwsA-3w1jA: 13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4aef	NEOPULLULANASE (ALPHA-AMYLASE II) (Pyrococcus furiosus)	PF00128 (Alpha-amylase) PF02903 (Alpha-amylase_N) PF16561 (AMPK1_CBM)	5	GLY A 528 GLY A 452 ILE A 435 PRO A 201 ILE A 205	None	1.02A	3mwsA-4aefA: undetectable	3mwsA-4aefA: 9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ch1	PROTEIN SUP-12, ISOFORM B (Caenorhabditis elegans)	PF00076 (RRM_1)	5	LEU A 109 ALA A 92 VAL A 81 GLY A 59 ILE A 37	None	1.05A	3mwsA-4ch1A: undetectable	3mwsA-4ch1A: 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.	4g8d	ALPHA/BETA HYDROLASE FOLD PROTEIN (Ochrobactrum sp. T63)	PF00561 (Abhydrolase_1)	5	LEU A 103 GLY A 79 ALA A 81 ILE A 15 ILE A 107	None	1.04A	3mwsA-4g8dA: undetectable	3mwsA-4g8dA: 16.19
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.	4gah	THIOESTERASE SUPERFAMILY MEMBER 4 (Homo sapiens)	PF03061 (4HBT)	5	GLY A 154 ALA A 157 ASP A 161 ILE A 188 ILE A 182	None None 0ET A 301 (-3.6A) None None	0.98A	3mwsA-4gahA: undetectable	3mwsA-4gahA: 18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	PF00067 (p450)	5	ARG A 184 GLY A 191 ALA A 190 ASP A 220 GLY A 227	None	0.80A	3mwsA-4ictA: undetectable	3mwsA-4ictA: 13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.84A	3mwsA-4idaA: undetectable	3mwsA-4idaA: 16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4io1	RIBOSE-5-PHOSPHATE ISOMERASE A (Francisella tularensis)	PF06026 (Rib_5-P_isom_A)	5	GLY A 103 ALA A 104 GLY A 202 ILE A 99 ILE A 174	CL A 301 (-3.5A) None None None None	0.89A	3mwsA-4io1A: undetectable	3mwsA-4io1A: 19.46
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.	4iqy	O-ACETYL-ADP-RIBOSE DEACETYLASE MACROD2 (Homo sapiens)	PF01661 (Macro)	5	GLY A 191 ALA A 149 GLY A 146 ILE A 185 ILE A 153	None	0.89A	3mwsA-4iqyA: undetectable	3mwsA-4iqyA: 15.90
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.	4kpo	NUCLEOSIDE N-RIBOHYDROLASE 3 (Zea mays)	PF01156 (IU_nuc_hydro)	5	GLY A 10 ASP A 12 GLY A 124 ILE A 34 ILE A 17	None CA A 401 ( 4.8A) CA A 401 ( 4.3A) None None	0.83A	3mwsA-4kpoA: undetectable	3mwsA-4kpoA: 17.32
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.	4m2j	AMINOTRANSFERASE (Streptomyces lavendulae)	PF00155 (Aminotran_1_2)	5	GLY A 278 ALA A 281 VAL A 311 GLY A 228 ILE A 200	None	0.93A	3mwsA-4m2jA: undetectable	3mwsA-4m2jA: 14.00
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)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 ILE A 84	None 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) RIT A 500 (-4.3A)	0.36A	3mwsA-4njvA: 19.7	3mwsA-4njvA: 70.71
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)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 PRO A 81 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 (-3.4A) RIT A 500 (-3.9A) RIT A 500 (-4.3A)	0.35A	3mwsA-4njvA: 19.7	3mwsA-4njvA: 70.71
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.	4tnb	G PROTEIN-COUPLED RECEPTOR KINASE 5 (Homo sapiens)	PF00069 (Pkinase) PF00615 (RGS)	5	LEU A 45 ASP A 52 GLY A 63 ILE A 62 ILE A 49	None	0.95A	3mwsA-4tnbA: undetectable	3mwsA-4tnbA: 10.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4tqk	LECTIN 2 (Agrocybe aegerita)	PF13517 (VCBS)	5	ASP A 345 GLY A 350 ASP A 290 VAL A 343 GLY A 371	None	0.81A	3mwsA-4tqkA: undetectable	3mwsA-4tqkA: 14.78
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)	8	LEU A 30 ASP A 32 GLY A 34 ALA A 35 ASP A 36 VAL A 39 GLY A 58 ILE A 100	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) None 4B1 A 201 (-3.4A) 4B1 A 201 (-4.8A)	0.48A	3mwsA-4ydfA: 13.4	3mwsA-4ydfA: 35.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	GLY A 27 ALA A 28 ASP A 29 ASP A 30 PRO A 81 ILE A 84	None	0.53A	3mwsA-5b18A: 19.0	3mwsA-5b18A: 64.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ctm	BETA-LACTAMASE (Bacillus pumilus)	PF00905 (Transpeptidase)	5	LEU A 262 VAL A 87 GLY A 73 ILE A 266 PRO A 197	None	1.06A	3mwsA-5ctmA: undetectable	3mwsA-5ctmA: 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.	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	0.87A	3mwsA-5cw2C: undetectable	3mwsA-5cw2C: 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.	5erb	POLYKETIDE SYNTHASE (Bacillus amyloliquefaciens)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C) PF16197 (KAsynt_C_assoc)	5	LEU A 187 GLY A 208 ALA A 207 ILE A 14 ILE A 190	None	1.03A	3mwsA-5erbA: undetectable	3mwsA-5erbA: 11.13
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.	5gn5	GLYCEROL KINASE (Trypanosoma brucei)	PF00370 (FGGY_N) PF02782 (FGGY_C)	5	LEU A 392 GLY A 321 ALA A 320 GLY A 421 ILE A 395	None	1.03A	3mwsA-5gn5A: undetectable	3mwsA-5gn5A: 12.24
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.	5gw4	T-COMPLEX PROTEIN 1 SUBUNIT GAMMA (Saccharomyces cerevisiae)	PF00118 (Cpn60_TCP1)	5	ALA g 399 ASP g 398 GLY g 160 ILE g 165 ILE g 155	None	1.02A	3mwsA-5gw4g: undetectable	3mwsA-5gw4g: 10.11
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.	5jcf	MELANOMA DIFFERENTIATION ASSOCIATED PROTEIN-5 (Gallus gallus)	PF00271 (Helicase_C) PF04851 (ResIII) PF11648 (RIG-I_C-RD)	5	LEU A 708 ALA A 725 GLY A 695 ILE A 777 ILE A 761	None	1.00A	3mwsA-5jcfA: undetectable	3mwsA-5jcfA: 8.88
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.	5jxk	ASP/GLU-SPECIFIC DIPEPTIDYL-PEPTIDASE (Porphyromonas endodontalis)	PF10459 (Peptidase_S46)	5	GLY A 583 ALA A 594 VAL A 263 ILE A 689 ILE A 581	None	1.03A	3mwsA-5jxkA: undetectable	3mwsA-5jxkA: 8.87
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 30 GLY A 49 PRO A 81	None	1.35A	3mwsA-5t2zA: 19.5	3mwsA-5t2zA: 73.74
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)	11	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 PRO A 81 ILE A 84	None	0.45A	3mwsA-5t2zA: 19.5	3mwsA-5t2zA: 73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ux4	CATHEPSIN D (Rattus norvegicus)	no annotation	5	LEU A 280 GLY A 300 VAL A 210 GLY A 234 ILE A 269	None	0.92A	3mwsA-5ux4A: 8.0	3mwsA-5ux4A: 16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5xj1	UNCHARACTERIZED RNA METHYLTRANSFERASE SP_1029 (Streptococcus pneumoniae)	no annotation	5	GLY A 399 ALA A 400 ASP A 401 ILE A 373 ILE A 378	None	0.84A	3mwsA-5xj1A: undetectable	3mwsA-5xj1A: 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.	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)	0.21A	3mwsA-6fivA: 16.1	3mwsA-6fivA: 27.19
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 PRO A 81 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-3.6A) None None None	0.65A	3mwsA-6upjA: 18.4	3mwsA-6upjA: 48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 GLY A 49 PRO A 81 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-3.6A) NIU A 100 ( 3.8A) None None	0.63A	3mwsA-6upjA: 18.4	3mwsA-6upjA: 48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None None	0.60A	3mwsA-6upjA: 18.4	3mwsA-6upjA: 48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None NIU A 100 ( 3.8A) None	0.66A	3mwsA-6upjA: 18.4	3mwsA-6upjA: 48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	5	LEU A 23 ASP A 30 GLY A 49 ILE A 50 PRO A 81	None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	1.06A	3mwsA-6upjA: 18.4	3mwsA-6upjA: 48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	5	LEU A 23 GLY A 27 ASP A 29 GLY A 49 ILE A 50	None NIU A 100 (-4.5A) None NIU A 100 ( 3.8A) NIU A 100 (-3.9A)	0.92A	3mwsA-6upjA: 18.4	3mwsA-6upjA: 48.48

[["3MWS_B_017B201_1","1azz","Leptuca pugilator","COLLAGENASE","PF00089(Trypsin)",5,"ASP A  37;GLY A  61;ALA A  61;ASP A  60;ILE A  35","None","1.03A","3mwsA-1azzA:undetectable","3mwsA-1azzA:18.35"],["3MWS_B_017B201_1","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"LEU E  30;ASP E  32;GLY E  34;ASP E  37;ILE E 120","None","0.68A","3mwsA-1cziE:7.1","3mwsA-1cziE:17.07"],["3MWS_B_017B201_1","1fob","Aspergillus aculeatus","BETA-1,4-GALACTANASE","PF07745(Glyco_hydro_53)",5,"GLY A  40;ALA A  39;ASP A  38;ILE A  44;ILE A 328","None","0.86A","3mwsA-1fobA:undetectable","3mwsA-1fobA:15.02"],["3MWS_B_017B201_1","1h74","Methanocaldococcus jannaschii","HOMOSERINE KINASE","PF00288(GHMP_kinases_N);PF08544(GHMP_kinases_C)",5,"LEU A 112;GLY A  80;GLY A  65;ILE A  48;ILE A 109","None","1.02A","3mwsA-1h74A:undetectable","3mwsA-1h74A:14.58"],["3MWS_B_017B201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;VAL A  32;PRO A  81;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 ( 4.4A);A79 A 800 ( 3.9A);A79 A 800 (-3.6A)","0.52A","3mwsA-1hvcA:13.1","3mwsA-1hvcA:40.89"],["3MWS_B_017B201_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;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 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 ( 4.4A);A79 A 800 (-3.8A);A79 A 800 (-3.6A)","0.53A","3mwsA-1hvcA:13.1","3mwsA-1hvcA:40.89"],["3MWS_B_017B201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  50;PRO A  81;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 ( 4.3A);A79 A 800 ( 4.0A);A79 A 800 ( 3.4A);A79 A 800 (-3.8A)","0.53A","3mwsA-1hvcA:13.1","3mwsA-1hvcA:40.89"],["3MWS_B_017B201_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;VAL A  32;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 (-2.8A);A79 A 800 ( 4.4A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 (-3.6A)","0.37A","3mwsA-1hvcA:13.1","3mwsA-1hvcA:40.89"],["3MWS_B_017B201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;ILE A  50;PRO A  81;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.3A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A);A79 A 800 ( 3.4A);A79 A 800 (-3.8A)","0.44A","3mwsA-1hvcA:13.1","3mwsA-1hvcA:40.89"],["3MWS_B_017B201_1","1lpf","Pseudomonas fluorescens","DIHYDROLIPOAMIDE DEHYDROGENASE","PF02852(Pyr_redox_dim);PF07992(Pyr_redox_2)",5,"LEU A 236;GLY A 189;ALA A 188;ILE A 362;ILE A 238","None","1.05A","3mwsA-1lpfA:undetectable","3mwsA-1lpfA:12.66"],["3MWS_B_017B201_1","1naa","Phanerochaete chrysosporium","CELLOBIOSE DEHYDROGENASE","PF00732(GMC_oxred_N);PF05199(GMC_oxred_C)",5,"GLY A 223;ALA A 224;VAL A 407;GLY A 305;ILE A 229","6FA A 801 (-3.0A);6FA A 801 ( 4.9A);None;6FA A 801 (-3.5A);None","1.00A","3mwsA-1naaA:undetectable","3mwsA-1naaA:11.75"],["3MWS_B_017B201_1","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  84","None","0.53A","3mwsA-1q9pA:9.6","3mwsA-1q9pA:78.95"],["3MWS_B_017B201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  50;ILE A  84","None","0.53A","3mwsA-1sivA:19.1","3mwsA-1sivA:49.49"],["3MWS_B_017B201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81;ILE A  84","None","0.50A","3mwsA-1sivA:19.1","3mwsA-1sivA:49.49"],["3MWS_B_017B201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","None","0.43A","3mwsA-1sivA:19.1","3mwsA-1sivA:49.49"],["3MWS_B_017B201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;PRO A  81;ILE A  84","None","0.41A","3mwsA-1sivA:19.1","3mwsA-1sivA:49.49"],["3MWS_B_017B201_1","1to3","Salmonella enterica","PUTATIVE ALDOLASE YIHT","PF01791(DeoC)",5,"LEU A 184;GLY A 188;ALA A 189;ASP A 190;ILE A 158","None","0.83A","3mwsA-1to3A:undetectable","3mwsA-1to3A:18.64"],["3MWS_B_017B201_1","1v5f","Aerococcus viridans","PYRUVATE OXIDASE","PF00205(TPP_enzyme_M);PF02775(TPP_enzyme_C);PF02776(TPP_enzyme_N)",5,"ASP A 388;ALA A 444;ASP A 442;VAL A 466;ILE A 440","None;TPP A1602 (-3.7A); MG A1603 ( 2.8A);None;None","0.83A","3mwsA-1v5fA:undetectable","3mwsA-1v5fA:10.59"],["3MWS_B_017B201_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","0.86A","3mwsA-1v5fA:undetectable","3mwsA-1v5fA:10.59"],["3MWS_B_017B201_1","1v5j","Homo sapiens","KIAA1355 PROTEIN","PF00041(fn3)",5,"GLY A  85;ALA A  84;VAL A  33;GLY A  60;PRO A  11","None","1.02A","3mwsA-1v5jA:undetectable","3mwsA-1v5jA:20.56"],["3MWS_B_017B201_1","1yb0","Bacillus anthracis","PROPHAGE LAMBDABA02, N-ACETYLMURAMOYL-L-ALANINE AMIDASE, FAMILY 2","PF01510(Amidase_2)",5,"ALA A 104;ASP A  59;ASP A  58;GLY A  97;ILE A  91","None","0.99A","3mwsA-1yb0A:undetectable","3mwsA-1yb0A:20.13"],["3MWS_B_017B201_1","1yg0","Helicobacter pylori","COP ASSOCIATED PROTEIN","PF00403(HMA)",5,"GLY A  62;ALA A  61;ASP A  60;VAL A  23;ILE A  19","None","1.03A","3mwsA-1yg0A:undetectable","3mwsA-1yg0A:24.27"],["3MWS_B_017B201_1","1yr2","Novosphingobium capsulatum","PROLYL OLIGOPEPTIDASE","PF00326(Peptidase_S9);PF02897(Peptidase_S9_N)",5,"GLY A 539;ALA A 538;ASP A 537;GLY A 529;PRO A 475","None","1.06A","3mwsA-1yr2A:undetectable","3mwsA-1yr2A:9.13"],["3MWS_B_017B201_1","2ash","Thermotoga maritima","QUEUINE TRNA-RIBOSYLTRANSFERASE","PF01702(TGT)",5,"GLY A  50;ALA A  49;ASP A  45;ILE A  53;ILE A 332","None","1.05A","3mwsA-2ashA:undetectable","3mwsA-2ashA:14.87"],["3MWS_B_017B201_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","1.05A","3mwsA-2cvjA:undetectable","3mwsA-2cvjA:20.11"],["3MWS_B_017B201_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  55;PRO A  86;ILE A  89","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);None;LP1 A 201 (-3.4A);LP1 A 201 (-3.9A);LP1 A 201 (-4.2A)","0.34A","3mwsA-2fmbA:15.7","3mwsA-2fmbA:35.24"],["3MWS_B_017B201_1","2g4r","Mycobacterium tuberculosis","MOLYBDOPTERIN BIOSYNTHESIS MOG PROTEIN","PF00994(MoCF_biosynth)",5,"GLY A 115;ASP A  97;GLY A 118;ILE A 125;ILE A  99","None;TRS A 301 (-2.8A);None;None;None","0.85A","3mwsA-2g4rA:undetectable","3mwsA-2g4rA:24.82"],["3MWS_B_017B201_1","2n7p","Trypanosoma brucei","PUTATIVE UNCHARACTERIZED PROTEIN","no annotation",5,"GLY A  49;ALA A  48;VAL A 101;ILE A  25;ILE A  99","None","1.06A","3mwsA-2n7pA:undetectable","3mwsA-2n7pA:20.72"],["3MWS_B_017B201_1","2p18","Leishmania infantum","GLYOXALASE II","PF00753(Lactamase_B);PF16123(HAGH_C)",5,"LEU A 160;GLY A 163;GLY A 170;ILE A 171;ILE A 206","None","1.06A","3mwsA-2p18A:undetectable","3mwsA-2p18A:15.20"],["3MWS_B_017B201_1","2p2s","Pectobacterium atrosepticum","PUTATIVE OXIDOREDUCTASE","PF01408(GFO_IDH_MocA);PF02894(GFO_IDH_MocA_C)",5,"LEU A 250;GLY A 136;ALA A 135;ILE A 127;ILE A 261","None","0.84A","3mwsA-2p2sA:undetectable","3mwsA-2p2sA:18.12"],["3MWS_B_017B201_1","2pl1","Escherichia coli","TRANSCRIPTIONAL REGULATORY PROTEIN PHOP","PF00072(Response_reg)",5,"LEU A  60;GLY A  94;ALA A  95;ASP A  96;VAL A  50","None","1.06A","3mwsA-2pl1A:undetectable","3mwsA-2pl1A:20.00"],["3MWS_B_017B201_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","0.96A","3mwsA-2q2rA:undetectable","3mwsA-2q2rA:16.07"],["3MWS_B_017B201_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;PRO A  81;ILE A  84","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-4.2A);AB1 A 501 ( 4.2A)","0.50A","3mwsA-2rkfA:19.6","3mwsA-2rkfA:70.71"],["3MWS_B_017B201_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;PRO A  81;ILE A  84","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 (-4.2A);AB1 A 501 ( 4.2A)","0.43A","3mwsA-2rkfA:19.6","3mwsA-2rkfA:70.71"],["3MWS_B_017B201_1","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",5,"LEU A  35;ASP A  37;ALA A  40;ASP A  41;ILE A  71","None","0.99A","3mwsA-2rspA:12.7","3mwsA-2rspA:32.00"],["3MWS_B_017B201_1","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",6,"LEU A  35;ASP A  37;GLY A  39;ALA A  40;ASP A  41;ILE A 108","None","0.29A","3mwsA-2rspA:12.7","3mwsA-2rspA:32.00"],["3MWS_B_017B201_1","2wqp","Neisseria meningitidis","POLYSIALIC ACID CAPSULE BIOSYNTHESIS PROTEIN SIAC","PF03102(NeuB);PF08666(SAF)",5,"GLY A 302;ALA A 333;ASP A 347;GLY A 330;ILE A 299","None","1.07A","3mwsA-2wqpA:undetectable","3mwsA-2wqpA:13.75"],["3MWS_B_017B201_1","3b8b","Bacteroides thetaiotaomicron","CYSQ, SULFITE SYNTHESIS PATHWAY PROTEIN","PF00459(Inositol_P)",5,"ALA A   6;ASP A   5;VAL A 112;GLY A  11;ILE A 100","None","0.97A","3mwsA-3b8bA:undetectable","3mwsA-3b8bA:15.14"],["3MWS_B_017B201_1","3dbg","Streptomyces coelicolor","PUTATIVE CYTOCHROME P450","PF00067(p450)",5,"GLY A 359;ALA A 360;ASP A 361;PRO A  24;ILE A 356","None","0.78A","3mwsA-3dbgA:undetectable","3mwsA-3dbgA:13.92"],["3MWS_B_017B201_1","3ecd","Burkholderia pseudomallei","SERINE HYDROXYMETHYLTRANSFERASE 2","PF00464(SHMT)",5,"LEU A 295;GLY A 216;ALA A 215;PRO A 370;ILE A 291","None","1.07A","3mwsA-3ecdA:undetectable","3mwsA-3ecdA:14.21"],["3MWS_B_017B201_1","3gve","Bacillus subtilis","YFKN PROTEIN","PF00149(Metallophos)",5,"GLY A 121;ALA A 122;ASP A 123;ILE A  89;ILE A 126","None","0.68A","3mwsA-3gveA:undetectable","3mwsA-3gveA:16.01"],["3MWS_B_017B201_1","3i4o","Mycobacterium tuberculosis","TRANSLATION INITIATION FACTOR IF-1","PF01176(eIF-1a)",5,"LEU A  27;GLY A  66;ALA A  35;VAL A  14;ILE A  25","None","0.93A","3mwsA-3i4oA:undetectable","3mwsA-3i4oA:23.47"],["3MWS_B_017B201_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","0.65A","3mwsA-3jv7A:undetectable","3mwsA-3jv7A:13.62"],["3MWS_B_017B201_1","3l7g","Alteromonas sp.","XAA-PRO DIPEPTIDASE","PF00557(Peptidase_M24)",5,"LEU A 391;GLY A 415;ALA A 223;GLY A 383;ILE A 387","None","0.98A","3mwsA-3l7gA:undetectable","3mwsA-3l7gA:11.22"],["3MWS_B_017B201_1","3mdo","Parabacteroides distasonis","PUTATIVE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE","PF02769(AIRS_C)",5,"LEU A 251;GLY A 256;ALA A 255;ILE A 319;ILE A 248","None","1.06A","3mwsA-3mdoA:undetectable","3mwsA-3mdoA:14.73"],["3MWS_B_017B201_1","3mq0","Agrobacterium tumefaciens","TRANSCRIPTIONAL REPRESSOR OF THE BLCABC OPERON","PF01614(IclR);PF09339(HTH_IclR)",5,"LEU A 240;GLY A 254;VAL A 121;PRO A 118;ILE A 238","None","0.87A","3mwsA-3mq0A:undetectable","3mwsA-3mq0A:15.99"],["3MWS_B_017B201_1","3nd0","Synechocystis sp. PCC 6803","SLL0855 PROTEIN","PF00654(Voltage_CLC)",5,"ARG A 170;LEU A 112;GLY A 176;ALA A 177;ILE A 108","None","1.03A","3mwsA-3nd0A:undetectable","3mwsA-3nd0A:15.15"],["3MWS_B_017B201_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)","0.98A","3mwsA-3p4gA:undetectable","3mwsA-3p4gA:15.13"],["3MWS_B_017B201_1","3qyq","Toxoplasma gondii","DEOXYRIBOSE-PHOSPHATE ALDOLASE, PUTATIVE","no annotation",5,"ARG A  13;LEU A  16;ALA A  40;GLY A  72;ILE A  46","None","1.07A","3mwsA-3qyqA:undetectable","3mwsA-3qyqA:17.06"],["3MWS_B_017B201_1","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"ASP A  32;GLY A  34;ALA A  35;VAL A  39;PRO A  89","3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);None;3TL A 126 (-4.0A)","0.61A","3mwsA-3slzA:11.9","3mwsA-3slzA:27.41"],["3MWS_B_017B201_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)","0.44A","3mwsA-3slzA:11.9","3mwsA-3slzA:27.41"],["3MWS_B_017B201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-3.8A);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)","1.42A","3mwsA-3t3cA:19.7","3mwsA-3t3cA:69.70"],["3MWS_B_017B201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;PRO A  81","SO4 A 101 (-3.8A);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 (-4.0A);017 A 201 (-3.3A);None","0.76A","3mwsA-3t3cA:19.7","3mwsA-3t3cA:69.70"],["3MWS_B_017B201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  49;PRO A  81","SO4 A 101 (-3.8A);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);None;017 A 201 (-4.0A);None","0.76A","3mwsA-3t3cA:19.7","3mwsA-3t3cA:69.70"],["3MWS_B_017B201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;PRO A  81","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);None;None","0.54A","3mwsA-3t3cA:19.7","3mwsA-3t3cA:69.70"],["3MWS_B_017B201_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"ARG A   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;PRO A  81;ILE A  84","017 A 201 ( 4.8A);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);017 A 201 (-4.1A);017 A 201 (-4.7A)","0.42A","3mwsA-3ttpA:19.9","3mwsA-3ttpA:73.74"],["3MWS_B_017B201_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ASP A  30;PRO A  81","None;None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 ( 4.0A);017 A 202 (-4.0A)","0.58A","3mwsA-3u7sA:19.7","3mwsA-3u7sA:69.70"],["3MWS_B_017B201_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ILE A  50;PRO A  81","None;None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 ( 3.5A);017 A 202 (-4.0A)","0.58A","3mwsA-3u7sA:19.7","3mwsA-3u7sA:69.70"],["3MWS_B_017B201_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)","1.24A","3mwsA-3u7sA:19.7","3mwsA-3u7sA:69.70"],["3MWS_B_017B201_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);017 A 202 (-4.0A)","0.52A","3mwsA-3u7sA:19.7","3mwsA-3u7sA:69.70"],["3MWS_B_017B201_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;GLY A  49;ILE A  50;PRO A  81","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 202 (-2.9A);017 A 201 ( 3.5A);017 A 202 (-4.0A)","0.42A","3mwsA-3u7sA:19.7","3mwsA-3u7sA:69.70"],["3MWS_B_017B201_1","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;PRO A  81","None","0.37A","3mwsA-3uhlA:17.2","3mwsA-3uhlA:70.71"],["3MWS_B_017B201_1","3up8","Sinorhizobium meliloti","PUTATIVE 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE B","PF00248(Aldo_ket_red)",5,"GLY A   8;ALA A   9;ASP A 100;GLY A 133;ILE A  11","None","1.00A","3mwsA-3up8A:undetectable","3mwsA-3up8A:22.60"],["3MWS_B_017B201_1","3w1h","Aquifex aeolicus","L-SERYL-TRNA(SEC) SELENIUM TRANSFERASE","PF03841(SelA)",5,"LEU A 211;GLY A 202;ALA A 203;GLY A 190;ILE A 160","None","0.94A","3mwsA-3w1hA:undetectable","3mwsA-3w1hA:11.83"],["3MWS_B_017B201_1","3w1j","Aquifex aeolicus","L-SERYL-TRNA(SEC) SELENIUM TRANSFERASE","PF03841(SelA)",5,"LEU A 211;GLY A 202;ALA A 203;GLY A 190;ILE A 160","None","0.91A","3mwsA-3w1jA:undetectable","3mwsA-3w1jA:13.61"],["3MWS_B_017B201_1","4aef","Pyrococcus furiosus","NEOPULLULANASE (ALPHA-AMYLASE II)","PF00128(Alpha-amylase);PF02903(Alpha-amylase_N);PF16561(AMPK1_CBM)",5,"GLY A 528;GLY A 452;ILE A 435;PRO A 201;ILE A 205","None","1.02A","3mwsA-4aefA:undetectable","3mwsA-4aefA:9.86"],["3MWS_B_017B201_1","4ch1","Caenorhabditis elegans","PROTEIN SUP-12, ISOFORM B","PF00076(RRM_1)",5,"LEU A 109;ALA A  92;VAL A  81;GLY A  59;ILE A  37","None","1.05A","3mwsA-4ch1A:undetectable","3mwsA-4ch1A:23.81"],["3MWS_B_017B201_1","4g8d","Ochrobactrum sp. T63","ALPHA\/BETA HYDROLASE FOLD PROTEIN","PF00561(Abhydrolase_1)",5,"LEU A 103;GLY A  79;ALA A  81;ILE A  15;ILE A 107","None","1.04A","3mwsA-4g8dA:undetectable","3mwsA-4g8dA:16.19"],["3MWS_B_017B201_1","4gah","Homo sapiens","THIOESTERASE SUPERFAMILY MEMBER 4","PF03061(4HBT)",5,"GLY A 154;ALA A 157;ASP A 161;ILE A 188;ILE A 182","None;None;0ET A 301 (-3.6A);None;None","0.98A","3mwsA-4gahA:undetectable","3mwsA-4gahA:18.18"],["3MWS_B_017B201_1","4ict","Mycobacterium tuberculosis","CYTOCHROME P450 121","PF00067(p450)",5,"ARG A 184;GLY A 191;ALA A 190;ASP A 220;GLY A 227","None","0.80A","3mwsA-4ictA:undetectable","3mwsA-4ictA:13.95"],["3MWS_B_017B201_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","0.84A","3mwsA-4idaA:undetectable","3mwsA-4idaA:16.10"],["3MWS_B_017B201_1","4io1","Francisella tularensis","RIBOSE-5-PHOSPHATE ISOMERASE A","PF06026(Rib_5-P_isom_A)",5,"GLY A 103;ALA A 104;GLY A 202;ILE A  99;ILE A 174"," CL A 301 (-3.5A);None;None;None;None","0.89A","3mwsA-4io1A:undetectable","3mwsA-4io1A:19.46"],["3MWS_B_017B201_1","4iqy","Homo sapiens","O-ACETYL-ADP-RIBOSE DEACETYLASE MACROD2","PF01661(Macro)",5,"GLY A 191;ALA A 149;GLY A 146;ILE A 185;ILE A 153","None","0.89A","3mwsA-4iqyA:undetectable","3mwsA-4iqyA:15.90"],["3MWS_B_017B201_1","4kpo","Zea mays","NUCLEOSIDE N-RIBOHYDROLASE 3","PF01156(IU_nuc_hydro)",5,"GLY A  10;ASP A  12;GLY A 124;ILE A  34;ILE A  17","None; CA A 401 ( 4.8A); CA A 401 ( 4.3A);None;None","0.83A","3mwsA-4kpoA:undetectable","3mwsA-4kpoA:17.32"],["3MWS_B_017B201_1","4m2j","Streptomyces lavendulae","AMINOTRANSFERASE","PF00155(Aminotran_1_2)",5,"GLY A 278;ALA A 281;VAL A 311;GLY A 228;ILE A 200","None","0.93A","3mwsA-4m2jA:undetectable","3mwsA-4m2jA:14.00"],["3MWS_B_017B201_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;ILE A  84","None;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);RIT A 500 (-4.3A)","0.36A","3mwsA-4njvA:19.7","3mwsA-4njvA:70.71"],["3MWS_B_017B201_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;PRO A  81;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 (-3.4A);RIT A 500 (-3.9A);RIT A 500 (-4.3A)","0.35A","3mwsA-4njvA:19.7","3mwsA-4njvA:70.71"],["3MWS_B_017B201_1","4tnb","Homo sapiens","G PROTEIN-COUPLED RECEPTOR KINASE 5","PF00069(Pkinase);PF00615(RGS)",5,"LEU A  45;ASP A  52;GLY A  63;ILE A  62;ILE A  49","None","0.95A","3mwsA-4tnbA:undetectable","3mwsA-4tnbA:10.59"],["3MWS_B_017B201_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","0.81A","3mwsA-4tqkA:undetectable","3mwsA-4tqkA:14.78"],["3MWS_B_017B201_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",8,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;ASP A  36;VAL A  39;GLY A  58;ILE A 100","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);None;4B1 A 201 (-3.4A);4B1 A 201 (-4.8A)","0.48A","3mwsA-4ydfA:13.4","3mwsA-4ydfA:35.34"],["3MWS_B_017B201_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81;ILE A  84","None","0.53A","3mwsA-5b18A:19.0","3mwsA-5b18A:64.65"],["3MWS_B_017B201_1","5ctm","Bacillus pumilus","BETA-LACTAMASE","PF00905(Transpeptidase)",5,"LEU A 262;VAL A  87;GLY A  73;ILE A 266;PRO A 197","None","1.06A","3mwsA-5ctmA:undetectable","3mwsA-5ctmA:20.00"],["3MWS_B_017B201_1","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","0.87A","3mwsA-5cw2C:undetectable","3mwsA-5cw2C:16.25"],["3MWS_B_017B201_1","5erb","Bacillus amyloliquefaciens","POLYKETIDE SYNTHASE","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C);PF16197(KAsynt_C_assoc)",5,"LEU A 187;GLY A 208;ALA A 207;ILE A  14;ILE A 190","None","1.03A","3mwsA-5erbA:undetectable","3mwsA-5erbA:11.13"],["3MWS_B_017B201_1","5gn5","Trypanosoma brucei","GLYCEROL KINASE","PF00370(FGGY_N);PF02782(FGGY_C)",5,"LEU A 392;GLY A 321;ALA A 320;GLY A 421;ILE A 395","None","1.03A","3mwsA-5gn5A:undetectable","3mwsA-5gn5A:12.24"],["3MWS_B_017B201_1","5gw4","Saccharomyces cerevisiae","T-COMPLEX PROTEIN 1 SUBUNIT GAMMA","PF00118(Cpn60_TCP1)",5,"ALA g 399;ASP g 398;GLY g 160;ILE g 165;ILE g 155","None","1.02A","3mwsA-5gw4g:undetectable","3mwsA-5gw4g:10.11"],["3MWS_B_017B201_1","5jcf","Gallus gallus","MELANOMA DIFFERENTIATION ASSOCIATED PROTEIN-5","PF00271(Helicase_C);PF04851(ResIII);PF11648(RIG-I_C-RD)",5,"LEU A 708;ALA A 725;GLY A 695;ILE A 777;ILE A 761","None","1.00A","3mwsA-5jcfA:undetectable","3mwsA-5jcfA:8.88"],["3MWS_B_017B201_1","5jxk","Porphyromonas endodontalis","ASP\/GLU-SPECIFIC DIPEPTIDYL-PEPTIDASE","PF10459(Peptidase_S46)",5,"GLY A 583;ALA A 594;VAL A 263;ILE A 689;ILE A 581","None","1.03A","3mwsA-5jxkA:undetectable","3mwsA-5jxkA:8.87"],["3MWS_B_017B201_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;PRO A  81","None","1.35A","3mwsA-5t2zA:19.5","3mwsA-5t2zA:73.74"],["3MWS_B_017B201_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",11,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;PRO A  81;ILE A  84","None","0.45A","3mwsA-5t2zA:19.5","3mwsA-5t2zA:73.74"],["3MWS_B_017B201_1","5ux4","Rattus norvegicus","CATHEPSIN D","no annotation",5,"LEU A 280;GLY A 300;VAL A 210;GLY A 234;ILE A 269","None","0.92A","3mwsA-5ux4A:8.0","3mwsA-5ux4A:16.00"],["3MWS_B_017B201_1","5xj1","Streptococcus pneumoniae","UNCHARACTERIZED RNA METHYLTRANSFERASE SP_1029","no annotation",5,"GLY A 399;ALA A 400;ASP A 401;ILE A 373;ILE A 378","None","0.84A","3mwsA-5xj1A:undetectable","3mwsA-5xj1A:13.30"],["3MWS_B_017B201_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)","0.21A","3mwsA-6fivA:16.1","3mwsA-6fivA:27.19"],["3MWS_B_017B201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;PRO A  81;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-3.6A);None;None;None","0.65A","3mwsA-6upjA:18.4","3mwsA-6upjA:48.48"],["3MWS_B_017B201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;GLY A  49;PRO A  81;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-3.6A);NIU A 100 ( 3.8A);None;None","0.63A","3mwsA-6upjA:18.4","3mwsA-6upjA:48.48"],["3MWS_B_017B201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;None","0.60A","3mwsA-6upjA:18.4","3mwsA-6upjA:48.48"],["3MWS_B_017B201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;NIU A 100 ( 3.8A);None","0.66A","3mwsA-6upjA:18.4","3mwsA-6upjA:48.48"],["3MWS_B_017B201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",5,"LEU A  23;ASP A  30;GLY A  49;ILE A  50;PRO A  81","None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","1.06A","3mwsA-6upjA:18.4","3mwsA-6upjA:48.48"],["3MWS_B_017B201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",5,"LEU A  23;GLY A  27;ASP A  29;GLY A  49;ILE A  50","None;NIU A 100 (-4.5A);None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A)","0.92A","3mwsA-6upjA:18.4","3mwsA-6upjA:48.48"]]