SIMILAR PATTERNS OF AMINO ACIDS FOR 2IDW_B_017B401_2

List of similar pattern of amino acids derived from ASSAM search

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

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

Filter list by:

	Hit	Macromolecule/ Organism	Pfam	Res.	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1b4e	PROTEIN (5-AMINOLEVULINIC ACID DEHYDRATASE) (Escherichia coli)	PF00490 (ALAD)	5	GLY A 305 ALA A 306 ASP A 307 ILE A 255 ILE A 301	None	0.95A	2idwB-1b4eA: undetectable	2idwB-1b4eA: 14.56
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.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	LEU E 30 ASP E 32 GLY E 34 ASP E 37 ILE E 120	None	0.70A	2idwB-1cziE: 6.9	2idwB-1cziE: 17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1deu	PROCATHEPSIN X (Homo sapiens)	PF00112 (Peptidase_C1)	6	LEU A 57 GLY A 87 ALA A 83 ASP A 81 GLY A 130 ILE A 241	None	1.28A	2idwB-1deuA: undetectable	2idwB-1deuA: 16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ek6	UDP-GALACTOSE 4-EPIMERASE (Homo sapiens)	PF16363 (GDP_Man_Dehyd)	5	LEU A 68 GLY A 90 ALA A 89 ILE A 164 ILE A 67	None NAI A 400 (-4.1A) NAI A 400 (-3.7A) None NAI A 400 (-3.8A)	0.82A	2idwB-1ek6A: undetectable	2idwB-1ek6A: 14.83
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.	1ewk	METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 1 (Rattus norvegicus)	PF01094 (ANF_receptor)	5	LEU A 96 GLY A 102 ASP A 87 ILE A 160 ILE A 89	MG A1001 (-4.8A) None None None None	0.96A	2idwB-1ewkA: undetectable	2idwB-1ewkA: 14.11
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 ALA A 28 ASP A 29 ASP A 30 GLY A 48 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 (-3.6A) A79 A 800 (-3.6A)	0.79A	2idwB-1hvcA: 13.8	2idwB-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 ALA A 28 ASP A 29 ASP A 30 GLY A 48 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 (-4.1A) A79 A 800 (-3.8A)	0.73A	2idwB-1hvcA: 13.8	2idwB-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)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	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) A79 A 800 (-3.6A)	1.16A	2idwB-1hvcA: 13.8	2idwB-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)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	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) A79 A 800 (-3.8A)	1.17A	2idwB-1hvcA: 13.8	2idwB-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)	5	LEU A 23 ASP A 25 ALA A 28 ASP A 29 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 (-3.8A)	0.84A	2idwB-1hvcA: 13.8	2idwB-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)	5	LEU A 23 ASP A 25 ALA A 28 ASP A 29 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-3.6A)	0.86A	2idwB-1hvcA: 13.8	2idwB-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 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 ( 4.9A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 (-3.6A)	0.52A	2idwB-1hvcA: 13.8	2idwB-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 GLY A 49 ILE A 50 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A) A79 A 800 (-3.8A)	0.53A	2idwB-1hvcA: 13.8	2idwB-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.	1lk5	D-RIBOSE-5-PHOSPHATE ISOMERASE (Pyrococcus horikoshii)	PF06026 (Rib_5-P_isom_A)	5	GLY A 101 ALA A 102 GLY A 207 ILE A 97 ILE A 179	CL A1001 (-3.4A) None None None None	0.94A	2idwB-1lk5A: undetectable	2idwB-1lk5A: 20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1mpp	PEPSIN (Rhizomucor pusillus)	PF00026 (Asp)	5	LEU A 30 ASP A 32 GLY A 34 ASP A 37 ILE A 120	None	0.90A	2idwB-1mppA: 7.1	2idwB-1mppA: 14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1pix	GLUTACONYL-COA DECARBOXYLASE A SUBUNIT (Acidaminococcus fermentans)	PF01039 (Carboxyl_trans)	5	LEU A 146 GLY A 189 ALA A 211 GLY A 252 ILE A 187	None	0.82A	2idwB-1pixA: undetectable	2idwB-1pixA: 11.67
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 ILE A 84	None	0.54A	2idwB-1q9pA: 10.0	2idwB-1q9pA: 98.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 48 ILE A 84	None	0.74A	2idwB-1sivA: 18.0	2idwB-1sivA: 51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	None	1.19A	2idwB-1sivA: 18.0	2idwB-1sivA: 51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None	0.60A	2idwB-1sivA: 18.0	2idwB-1sivA: 51.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1t5b	ACYL CARRIER PROTEIN PHOSPHODIESTERASE (Salmonella enterica)	PF02525 (Flavodoxin_2)	6	LEU A 5 ALA A 135 ASP A 168 GLY A 165 ILE A 164 ILE A 90	None	1.49A	2idwB-1t5bA: undetectable	2idwB-1t5bA: 21.51
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.	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	2idwB-1tlgA: undetectable	2idwB-1tlgA: 17.27
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.	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	0.92A	2idwB-1to3A: undetectable	2idwB-1to3A: 17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1zap	SECRETED ASPARTIC PROTEINASE (Candida albicans)	PF00026 (Asp)	5	ASP A 32 GLY A 34 ASP A 37 GLY A 83 ILE A 123	A70 A 500 ( 2.7A) A70 A 500 (-3.8A) None None A70 A 500 (-4.8A)	0.76A	2idwB-1zapA: 6.5	2idwB-1zapA: 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.	2a00	POTASSIUM-TRANSPORTI NG ATPASE B CHAIN (Escherichia coli)	no annotation	5	LEU A 431 ALA A 337 ASP A 335 ILE A 354 ILE A 443	ANP A1001 (-4.0A) None None None None	0.95A	2idwB-2a00A: undetectable	2idwB-2a00A: 18.99
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.	2a2f	EXOCYST COMPLEX COMPONENT SEC15 (Drosophila melanogaster)	PF04091 (Sec15)	6	LEU X 239 ALA X 185 ASP X 184 GLY X 190 ILE X 193 ILE X 242	None	1.43A	2idwB-2a2fX: undetectable	2idwB-2a2fX: 14.63
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.	2cav	PROTEIN (CANAVALIN) (Canavalia ensiformis)	PF00190 (Cupin_1)	5	GLY A 115 ASP A 133 ASP A 136 ILE A 149 ILE A 159	None	0.95A	2idwB-2cavA: undetectable	2idwB-2cavA: 12.90
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.	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	2idwB-2dwsA: undetectable	2idwB-2dwsA: 16.72
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.	2e4u	METABOTROPIC GLUTAMATE RECEPTOR 3 (Rattus norvegicus)	PF01094 (ANF_receptor) PF07562 (NCD3G)	5	LEU A 86 GLY A 92 ASP A 77 ILE A 146 ILE A 79	None	0.89A	2idwB-2e4uA: undetectable	2idwB-2e4uA: 11.73
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.	2ewn	BIRA BIFUNCTIONAL PROTEIN (Escherichia coli)	PF02237 (BPL_C) PF03099 (BPL_LplA_LipB) PF08279 (HTH_11)	6	LEU A 131 GLY A 186 ALA A 185 GLY A 154 ILE A 153 ILE A 207	None BTX A 501 (-3.3A) None None None None	1.08A	2idwB-2ewnA: undetectable	2idwB-2ewnA: 19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 55 ILE A 89	None LP1 A 201 (-2.3A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) LP1 A 201 (-3.4A) LP1 A 201 (-4.2A)	1.26A	2idwB-2fmbA: 15.2	2idwB-2fmbA: 33.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 54 ILE A 89	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) LP1 A 201 (-3.6A) LP1 A 201 (-4.2A)	0.78A	2idwB-2fmbA: 15.2	2idwB-2fmbA: 33.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 55 ILE A 89	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) LP1 A 201 (-3.4A) LP1 A 201 (-4.2A)	0.42A	2idwB-2fmbA: 15.2	2idwB-2fmbA: 33.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2hdn	ELONGATION FACTOR EF-TU (Escherichia coli)	PF00009 (GTP_EFTU) PF03143 (GTP_EFTU_D3) PF03144 (GTP_EFTU_D2)	5	GLY B 316 ASP B 314 GLY B 353 ILE B 310 ILE B 60	None	0.85A	2idwB-2hdnB: undetectable	2idwB-2hdnB: 16.73
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	0.89A	2idwB-2m1iA: undetectable	2idwB-2m1iA: 22.12
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.	2r7y	RIBONUCLEASE H (Bacillus halodurans)	no annotation	5	LEU A 161 GLY A 108 GLY A 79 ILE A 80 ILE A 158	None	0.95A	2idwB-2r7yA: undetectable	2idwB-2r7yA: 21.74
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.	2rfb	CYTOCHROME P450 (Picrophilus torridus)	PF00067 (p450)	5	LEU A 205 ALA A 317 ASP A 320 ILE A 115 ILE A 206	HEM A 410 ( 4.0A) None None None None	0.92A	2idwB-2rfbA: undetectable	2idwB-2rfbA: 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.	2ri6	2-HYDROXY-6-OXO-6-PH ENYLHEXA-2,4-DIENOAT E HYDROLASE (Paraburkholderia xenovorans)	PF12697 (Abhydrolase_6)	5	LEU A 283 GLY A 63 ALA A 62 GLY A 57 ILE A 280	None	0.93A	2idwB-2ri6A: undetectable	2idwB-2ri6A: 16.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ALA A 28 ASP A 29 ASP A 30 GLY A 48 ILE A 84	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)	0.80A	2idwB-2rkfA: 20.4	2idwB-2rkfA: 83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	None AB1 A 501 (-2.4A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 ( 4.2A)	1.24A	2idwB-2rkfA: 20.4	2idwB-2rkfA: 83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 ( 4.2A)	0.47A	2idwB-2rkfA: 20.4	2idwB-2rkfA: 83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	6	LEU A 35 ASP A 37 ALA A 40 ASP A 41 ILE A 71 ILE A 108	None	1.25A	2idwB-2rspA: 12.7	2idwB-2rspA: 33.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	6	LEU A 35 ASP A 37 GLY A 39 ALA A 40 ASP A 41 ILE A 108	None	0.46A	2idwB-2rspA: 12.7	2idwB-2rspA: 33.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.81A	2idwB-2vn8A: undetectable	2idwB-2vn8A: 15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2wsk	GLYCOGEN DEBRANCHING ENZYME (Escherichia coli)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	5	LEU A 188 GLY A 255 ALA A 254 ILE A 248 ILE A 185	None	0.89A	2idwB-2wskA: undetectable	2idwB-2wskA: 8.70
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.	2yfq	NAD-SPECIFIC GLUTAMATE DEHYDROGENASE (Peptoniphilus asaccharolyticus)	PF00208 (ELFV_dehydrog) PF02812 (ELFV_dehydrog_N)	6	LEU A 317 ALA A 213 ASP A 212 GLY A 236 ILE A 231 ILE A 208	None	1.35A	2idwB-2yfqA: undetectable	2idwB-2yfqA: 13.78
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.	3gf7	GLUTACONYL-COA DECARBOXYLASE SUBUNIT A ([Clostridium] symbiosum)	PF01039 (Carboxyl_trans)	5	LEU A 148 GLY A 191 ALA A 213 GLY A 256 ILE A 189	None	0.80A	2idwB-3gf7A: undetectable	2idwB-3gf7A: 10.67
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.	3gmi	UPF0348 PROTEIN MJ0951 (Methanocaldococcus jannaschii)	PF05636 (HIGH_NTase1) PF16581 (HIGH_NTase1_ass)	5	LEU A 62 GLY A 111 ALA A 112 ASP A 113 GLY A 73	None	0.93A	2idwB-3gmiA: undetectable	2idwB-3gmiA: 15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3gve	YFKN PROTEIN (Bacillus subtilis)	PF00149 (Metallophos)	5	GLY A 121 ALA A 122 ASP A 123 ILE A 89 ILE A 126	None	0.59A	2idwB-3gveA: undetectable	2idwB-3gveA: 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.	3hhd	FATTY ACID SYNTHASE (Homo sapiens)	PF00109 (ketoacyl-synt) PF00698 (Acyl_transf_1) PF02801 (Ketoacyl-synt_C) PF16197 (KAsynt_C_assoc)	6	LEU A 567 ALA A 590 ASP A 591 GLY A 579 ILE A 495 ILE A 564	None	1.40A	2idwB-3hhdA: undetectable	2idwB-3hhdA: 7.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3i5g	MYOSIN HEAVY CHAIN ISOFORM A (Doryteuthis pealeii)	PF00063 (Myosin_head) PF00612 (IQ) PF02736 (Myosin_N)	6	GLY A 264 ALA A 265 ASP A 266 GLY A 460 ILE A 459 ILE A 224	None	1.09A	2idwB-3i5gA: undetectable	2idwB-3i5gA: 8.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3icf	SERINE/THREONINE-PRO TEIN PHOSPHATASE T (Saccharomyces cerevisiae)	PF00149 (Metallophos) PF08321 (PPP5)	6	LEU A 356 GLY A 361 ASP A 395 GLY A 414 ILE A 417 ILE A 430	None	1.45A	2idwB-3icfA: undetectable	2idwB-3icfA: 15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.79A	2idwB-3jv7A: undetectable	2idwB-3jv7A: 16.47
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.	3kl7	PUTATIVE METAL-DEPENDENT HYDROLASE (Parabacteroides distasonis)	PF13483 (Lactamase_B_3)	5	LEU A 156 GLY A 153 ASP A 120 ILE A 77 ILE A 130	None	0.90A	2idwB-3kl7A: undetectable	2idwB-3kl7A: 17.41
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.	3mdo	PUTATIVE PHOSPHORIBOSYLFORMYL GLYCINAMIDINE CYCLO-LIGASE (Parabacteroides distasonis)	PF02769 (AIRS_C)	6	LEU A 251 GLY A 256 ALA A 255 ASP A 246 ILE A 319 ILE A 248	None	1.12A	2idwB-3mdoA: undetectable	2idwB-3mdoA: 13.92
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	GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 48 ILE A 84	None	0.71A	2idwB-3mwsA: 19.7	2idwB-3mwsA: 78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	None	1.21A	2idwB-3mwsA: 19.7	2idwB-3mwsA: 78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	None	0.41A	2idwB-3mwsA: 19.7	2idwB-3mwsA: 78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	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	0.40A	2idwB-3mwsA: 19.7	2idwB-3mwsA: 78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	5	LEU A 30 ASP A 32 GLY A 34 ALA A 35 GLY A 56	None 3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) 3TL A 126 (-3.4A)	0.29A	2idwB-3slzA: 11.0	2idwB-3slzA: 25.95
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.	3sm9	METABOTROPIC GLUTAMATE RECEPTOR 3 (Homo sapiens)	PF01094 (ANF_receptor)	5	LEU A 61 GLY A 67 ASP A 52 ILE A 121 ILE A 54	None	0.93A	2idwB-3sm9A: undetectable	2idwB-3sm9A: 13.49
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.	3t2y	SULFIDE-QUINONE REDUCTASE, PUTATIVE (Acidithiobacillus ferrooxidans)	PF07992 (Pyr_redox_2)	5	LEU A 7 GLY A 106 ALA A 303 GLY A 281 ILE A 103	FAD A 500 (-4.7A) FAD A 500 (-3.1A) None None None	0.71A	2idwB-3t2yA: undetectable	2idwB-3t2yA: 12.44
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 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) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	0.18A	2idwB-3t3cA: 18.8	2idwB-3t3cA: 75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3tl2	MALATE DEHYDROGENASE (Bacillus anthracis)	PF00056 (Ldh_1_N) PF02866 (Ldh_1_C)	5	LEU A 40 ASP A 36 GLY A 12 ILE A 85 ILE A 37	None EDO A 315 (-3.3A) EDO A 315 ( 4.1A) None None	0.94A	2idwB-3tl2A: undetectable	2idwB-3tl2A: 16.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	None 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-3.0A) 017 A 201 (-3.3A) 017 A 201 (-4.7A)	1.15A	2idwB-3ttpA: 19.3	2idwB-3ttpA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-4.6A) 017 A 201 (-3.0A) 017 A 201 (-3.3A) 017 A 201 (-4.7A)	0.46A	2idwB-3ttpA: 19.3	2idwB-3ttpA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	8	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)	0.31A	2idwB-3u7sA: 19.7	2idwB-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	2idwB-3uhlA: 16.3	2idwB-3uhlA: 79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.95A	2idwB-4bo6A: undetectable	2idwB-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.	4db1	MYOSIN-7 (Homo sapiens)	PF00063 (Myosin_head) PF02736 (Myosin_N)	5	ALA A 261 ASP A 262 GLY A 458 ILE A 457 ILE A 220	None	0.85A	2idwB-4db1A: undetectable	2idwB-4db1A: 7.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.82A	2idwB-4idaA: undetectable	2idwB-4idaA: 17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4na3	POLYKETIDE SYNTHASE PKSJ (Bacillus subtilis)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C) PF16197 (KAsynt_C_assoc)	5	LEU A 180 GLY A 201 ALA A 200 ILE A 12 ILE A 183	None	0.88A	2idwB-4na3A: undetectable	2idwB-4na3A: 11.13
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	GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 48 ILE A 84	RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) RIT A 500 (-4.8A) RIT A 500 (-4.3A)	0.68A	2idwB-4njvA: 20.2	2idwB-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	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) RIT A 500 (-4.3A)	1.22A	2idwB-4njvA: 20.2	2idwB-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) RIT A 500 (-4.3A)	0.42A	2idwB-4njvA: 20.2	2idwB-4njvA: 84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	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 RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-3.4A) RIT A 500 (-4.3A) RIT A 500 (-4.3A)	0.51A	2idwB-4njvA: 20.2	2idwB-4njvA: 84.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4nnm	TAX1-BINDING PROTEIN 3 (Homo sapiens)	PF00595 (PDZ)	5	LEU A 108 GLY A 71 ALA A 70 GLY A 65 ILE A 19	None	0.94A	2idwB-4nnmA: undetectable	2idwB-4nnmA: 18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4qpn	PROTEIN-LYSINE METHYLTRANSFERASE METTL21B (Homo sapiens)	PF10294 (Methyltransf_16)	5	LEU A 109 GLY A 83 ALA A 84 ILE A 80 ILE A 112	None SAH A 301 (-3.6A) None None None	0.88A	2idwB-4qpnA: undetectable	2idwB-4qpnA: 20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ttp	DEPHOSPHO-COA KINASE (Legionella pneumophila)	PF01121 (CoaE)	6	LEU A 168 ALA A 175 ASP A 176 ASP A 177 GLY A 12 ILE A 118	None	1.03A	2idwB-4ttpA: undetectable	2idwB-4ttpA: 18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4xib	E3 UBIQUITIN-PROTEIN LIGASE MIB1 (Homo sapiens)	PF00569 (ZZ) PF06701 (MIB_HERC2)	6	LEU A 215 GLY A 154 ALA A 155 ASP A 220 GLY A 223 ILE A 151	None	1.40A	2idwB-4xibA: undetectable	2idwB-4xibA: 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.	4y9w	ASPARTIC ACID ENDOPEPTIDASE SAPP2 (Candida parapsilosis)	PF00026 (Asp)	5	ASP A 32 GLY A 34 ASP A 37 GLY A 76 ILE A 116	None	0.72A	2idwB-4y9wA: 7.5	2idwB-4y9wA: 16.28
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 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) 4B1 A 201 (-3.4A) 4B1 A 201 (-4.8A)	0.60A	2idwB-4ydfA: 12.5	2idwB-4ydfA: 32.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5amq	RNA POLYMERASE L (California encephalitis orthobunyavirus)	PF04196 (Bunya_RdRp) PF15518 (L_protein_N)	6	LEU A 138 GLY A 38 ASP A 79 ASP A 92 ILE A 47 ILE A 129	None	1.38A	2idwB-5amqA: undetectable	2idwB-5amqA: 3.80
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 GLY A 49 ILE A 84	None	0.64A	2idwB-5b18A: 18.4	2idwB-5b18A: 73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5cni	METABOTROPIC GLUTAMATE RECEPTOR 2 (Homo sapiens)	PF01094 (ANF_receptor)	5	LEU A 79 GLY A 85 ASP A 70 ILE A 140 ILE A 72	None	0.94A	2idwB-5cniA: undetectable	2idwB-5cniA: 12.13
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.	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	0.94A	2idwB-5cw2C: undetectable	2idwB-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	0.91A	2idwB-5erbA: undetectable	2idwB-5erbA: 10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5g5g	PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT (Escherichia coli)	PF00111 (Fer2) PF01799 (Fer2_2)	5	GLY A 211 ALA A 212 ASP A 154 GLY A 159 ILE A 216	None None None FES A 230 (-4.2A) None	0.79A	2idwB-5g5gA: undetectable	2idwB-5g5gA: 24.00
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.	5kzn	METABOTROPIC GLUTAMATE RECEPTOR 2 (Homo sapiens)	PF01094 (ANF_receptor) PF07562 (NCD3G)	5	LEU A 79 GLY A 85 ASP A 70 ILE A 140 ILE A 72	None	0.91A	2idwB-5kznA: undetectable	2idwB-5kznA: 10.65
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)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	None	1.17A	2idwB-5t2zA: 19.8	2idwB-5t2zA: 80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None	0.44A	2idwB-5t2zA: 19.8	2idwB-5t2zA: 80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5w1a	MYOSIN HEAVY CHAIN, MUSCLE (Drosophila melanogaster)	no annotation	5	GLY A 259 ALA A 260 ASP A 261 GLY A 457 ILE A 456	None	0.90A	2idwB-5w1aA: undetectable	2idwB-5w1aA: 19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5x1n	VANILLATE/3-O-METHYL GALLATE O-DEMETHYLASE (Sphingobium sp. SYK-6)	PF01571 (GCV_T) PF08669 (GCV_T_C)	6	GLY A 168 ALA A 171 ASP A 173 GLY A 238 ILE A 240 ILE A 166	None	1.18A	2idwB-5x1nA: undetectable	2idwB-5x1nA: 14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5y6q	ALDEHYDE OXIDASE SMALL SUBUNIT (Methylobacillus sp. KY4400)	no annotation	5	GLY A 141 ALA A 142 ASP A 99 GLY A 104 ILE A 146	None None None FES A 202 (-4.1A) None	0.88A	2idwB-5y6qA: undetectable	2idwB-5y6qA: 20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	LEU A 28 ASP A 30 GLY A 32 ALA A 33 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)	0.28A	2idwB-6fivA: 15.3	2idwB-6fivA: 30.58
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.	6fq3	E3 UBIQUITIN-PROTEIN LIGASE TRIM71 (Danio rerio)	no annotation	5	GLY A 437 ALA A 438 ASP A 467 GLY A 502 ILE A 522	None	0.95A	2idwB-6fq3A: undetectable	2idwB-6fq3A: 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.	6fsa	- (-)	no annotation	5	ALA A 261 ASP A 262 GLY A 458 ILE A 457 ILE A 220	None	0.88A	2idwB-6fsaA: undetectable	2idwB-6fsaA: 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	0.82A	2idwB-6grwA: undetectable	2idwB-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)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-3.6A) None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	1.44A	2idwB-6upjA: 18.2	2idwB-6upjA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.65A	2idwB-6upjA: 18.2	2idwB-6upjA: 49.49

[["2IDW_B_017B401_2","1b4e","Escherichia coli","PROTEIN (5-AMINOLEVULINIC ACID DEHYDRATASE)","PF00490(ALAD)",5,"GLY A 305;ALA A 306;ASP A 307;ILE A 255;ILE A 301","None","0.95A","2idwB-1b4eA:undetectable","2idwB-1b4eA:14.56"],["2IDW_B_017B401_2","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"LEU E  30;ASP E  32;GLY E  34;ASP E  37;ILE E 120","None","0.70A","2idwB-1cziE:6.9","2idwB-1cziE:17.42"],["2IDW_B_017B401_2","1deu","Homo sapiens","PROCATHEPSIN X","PF00112(Peptidase_C1)",6,"LEU A  57;GLY A  87;ALA A  83;ASP A  81;GLY A 130;ILE A 241","None","1.28A","2idwB-1deuA:undetectable","2idwB-1deuA:16.42"],["2IDW_B_017B401_2","1ek6","Homo sapiens","UDP-GALACTOSE 4-EPIMERASE","PF16363(GDP_Man_Dehyd)",5,"LEU A  68;GLY A  90;ALA A  89;ILE A 164;ILE A  67","None;NAI A 400 (-4.1A);NAI A 400 (-3.7A);None;NAI A 400 (-3.8A)","0.82A","2idwB-1ek6A:undetectable","2idwB-1ek6A:14.83"],["2IDW_B_017B401_2","1ewk","Rattus norvegicus","METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 1","PF01094(ANF_receptor)",5,"LEU A  96;GLY A 102;ASP A  87;ILE A 160;ILE A  89"," MG A1001 (-4.8A);None;None;None;None","0.96A","2idwB-1ewkA:undetectable","2idwB-1ewkA:14.11"],["2IDW_B_017B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ALA A  28;ASP A  29;ASP A  30;GLY A  48;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 (-3.6A);A79 A 800 (-3.6A)","0.79A","2idwB-1hvcA:13.8","2idwB-1hvcA:46.31"],["2IDW_B_017B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ALA A  28;ASP A  29;ASP A  30;GLY A  48;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 (-4.1A);A79 A 800 (-3.8A)","0.73A","2idwB-1hvcA:13.8","2idwB-1hvcA:46.31"],["2IDW_B_017B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","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);A79 A 800 (-3.6A)","1.16A","2idwB-1hvcA:13.8","2idwB-1hvcA:46.31"],["2IDW_B_017B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","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);A79 A 800 (-3.8A)","1.17A","2idwB-1hvcA:13.8","2idwB-1hvcA:46.31"],["2IDW_B_017B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 (-3.8A)","0.84A","2idwB-1hvcA:13.8","2idwB-1hvcA:46.31"],["2IDW_B_017B401_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-3.6A)","0.86A","2idwB-1hvcA:13.8","2idwB-1hvcA:46.31"],["2IDW_B_017B401_2","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;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 ( 4.9A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 (-3.6A)","0.52A","2idwB-1hvcA:13.8","2idwB-1hvcA:46.31"],["2IDW_B_017B401_2","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;GLY A  49;ILE A  50;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A);A79 A 800 (-3.8A)","0.53A","2idwB-1hvcA:13.8","2idwB-1hvcA:46.31"],["2IDW_B_017B401_2","1lk5","Pyrococcus horikoshii","D-RIBOSE-5-PHOSPHATE ISOMERASE","PF06026(Rib_5-P_isom_A)",5,"GLY A 101;ALA A 102;GLY A 207;ILE A  97;ILE A 179"," CL A1001 (-3.4A);None;None;None;None","0.94A","2idwB-1lk5A:undetectable","2idwB-1lk5A:20.52"],["2IDW_B_017B401_2","1mpp","Rhizomucor pusillus","PEPSIN","PF00026(Asp)",5,"LEU A  30;ASP A  32;GLY A  34;ASP A  37;ILE A 120","None","0.90A","2idwB-1mppA:7.1","2idwB-1mppA:14.13"],["2IDW_B_017B401_2","1pix","Acidaminococcus fermentans","GLUTACONYL-COA DECARBOXYLASE A SUBUNIT","PF01039(Carboxyl_trans)",5,"LEU A 146;GLY A 189;ALA A 211;GLY A 252;ILE A 187","None","0.82A","2idwB-1pixA:undetectable","2idwB-1pixA:11.67"],["2IDW_B_017B401_2","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  84","None","0.54A","2idwB-1q9pA:10.0","2idwB-1q9pA:98.95"],["2IDW_B_017B401_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  48;ILE A  84","None","0.74A","2idwB-1sivA:18.0","2idwB-1sivA:51.96"],["2IDW_B_017B401_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","None","1.19A","2idwB-1sivA:18.0","2idwB-1sivA:51.96"],["2IDW_B_017B401_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None","0.60A","2idwB-1sivA:18.0","2idwB-1sivA:51.96"],["2IDW_B_017B401_2","1t5b","Salmonella enterica","ACYL CARRIER PROTEIN PHOSPHODIESTERASE","PF02525(Flavodoxin_2)",6,"LEU A   5;ALA A 135;ASP A 168;GLY A 165;ILE A 164;ILE A  90","None","1.49A","2idwB-1t5bA:undetectable","2idwB-1t5bA:21.51"],["2IDW_B_017B401_2","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","2idwB-1tlgA:undetectable","2idwB-1tlgA:17.27"],["2IDW_B_017B401_2","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","0.92A","2idwB-1to3A:undetectable","2idwB-1to3A:17.80"],["2IDW_B_017B401_2","1zap","Candida albicans","SECRETED ASPARTIC PROTEINASE","PF00026(Asp)",5,"ASP A  32;GLY A  34;ASP A  37;GLY A  83;ILE A 123","A70 A 500 ( 2.7A);A70 A 500 (-3.8A);None;None;A70 A 500 (-4.8A)","0.76A","2idwB-1zapA:6.5","2idwB-1zapA:16.46"],["2IDW_B_017B401_2","2a00","Escherichia coli","POTASSIUM-TRANSPORTING ATPASE B CHAIN","no annotation",5,"LEU A 431;ALA A 337;ASP A 335;ILE A 354;ILE A 443","ANP A1001 (-4.0A);None;None;None;None","0.95A","2idwB-2a00A:undetectable","2idwB-2a00A:18.99"],["2IDW_B_017B401_2","2a2f","Drosophila melanogaster","EXOCYST COMPLEX COMPONENT SEC15","PF04091(Sec15)",6,"LEU X 239;ALA X 185;ASP X 184;GLY X 190;ILE X 193;ILE X 242","None","1.43A","2idwB-2a2fX:undetectable","2idwB-2a2fX:14.63"],["2IDW_B_017B401_2","2cav","Canavalia ensiformis","PROTEIN (CANAVALIN)","PF00190(Cupin_1)",5,"GLY A 115;ASP A 133;ASP A 136;ILE A 149;ILE A 159","None","0.95A","2idwB-2cavA:undetectable","2idwB-2cavA:12.90"],["2IDW_B_017B401_2","2dws","Rhodobacter sphaeroides","COPPER-CONTAINING NITRITE REDUCTASE","PF00394(Cu-oxidase);PF07732(Cu-oxidase_3)",5,"LEU A  90;GLY A 254;ALA A 255;GLY A 347;ILE A 250","None","0.86A","2idwB-2dwsA:undetectable","2idwB-2dwsA:16.72"],["2IDW_B_017B401_2","2e4u","Rattus norvegicus","METABOTROPIC GLUTAMATE RECEPTOR 3","PF01094(ANF_receptor);PF07562(NCD3G)",5,"LEU A  86;GLY A  92;ASP A  77;ILE A 146;ILE A  79","None","0.89A","2idwB-2e4uA:undetectable","2idwB-2e4uA:11.73"],["2IDW_B_017B401_2","2ewn","Escherichia coli","BIRA BIFUNCTIONAL PROTEIN","PF02237(BPL_C);PF03099(BPL_LplA_LipB);PF08279(HTH_11)",6,"LEU A 131;GLY A 186;ALA A 185;GLY A 154;ILE A 153;ILE A 207","None;BTX A 501 (-3.3A);None;None;None;None","1.08A","2idwB-2ewnA:undetectable","2idwB-2ewnA:19.05"],["2IDW_B_017B401_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  55;ILE A  89","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);LP1 A 201 (-3.4A);LP1 A 201 (-4.2A)","1.26A","2idwB-2fmbA:15.2","2idwB-2fmbA:33.02"],["2IDW_B_017B401_2","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;GLY A  54;ILE A  89","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);LP1 A 201 (-3.6A);LP1 A 201 (-4.2A)","0.78A","2idwB-2fmbA:15.2","2idwB-2fmbA:33.02"],["2IDW_B_017B401_2","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;GLY A  55;ILE A  89","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);LP1 A 201 (-3.4A);LP1 A 201 (-4.2A)","0.42A","2idwB-2fmbA:15.2","2idwB-2fmbA:33.02"],["2IDW_B_017B401_2","2hdn","Escherichia coli","ELONGATION FACTOR EF-TU","PF00009(GTP_EFTU);PF03143(GTP_EFTU_D3);PF03144(GTP_EFTU_D2)",5,"GLY B 316;ASP B 314;GLY B 353;ILE B 310;ILE B  60","None","0.85A","2idwB-2hdnB:undetectable","2idwB-2hdnB:16.73"],["2IDW_B_017B401_2","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","0.89A","2idwB-2m1iA:undetectable","2idwB-2m1iA:22.12"],["2IDW_B_017B401_2","2r7y","Bacillus halodurans","RIBONUCLEASE H","no annotation",5,"LEU A 161;GLY A 108;GLY A  79;ILE A  80;ILE A 158","None","0.95A","2idwB-2r7yA:undetectable","2idwB-2r7yA:21.74"],["2IDW_B_017B401_2","2rfb","Picrophilus torridus","CYTOCHROME P450","PF00067(p450)",5,"LEU A 205;ALA A 317;ASP A 320;ILE A 115;ILE A 206","HEM A 410 ( 4.0A);None;None;None;None","0.92A","2idwB-2rfbA:undetectable","2idwB-2rfbA:17.04"],["2IDW_B_017B401_2","2ri6","Paraburkholderia xenovorans","2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE","PF12697(Abhydrolase_6)",5,"LEU A 283;GLY A  63;ALA A  62;GLY A  57;ILE A 280","None","0.93A","2idwB-2ri6A:undetectable","2idwB-2ri6A:16.37"],["2IDW_B_017B401_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",5,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;ILE A  84","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)","0.80A","2idwB-2rkfA:20.4","2idwB-2rkfA:83.84"],["2IDW_B_017B401_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 ( 4.2A)","1.24A","2idwB-2rkfA:20.4","2idwB-2rkfA:83.84"],["2IDW_B_017B401_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 ( 4.2A)","0.47A","2idwB-2rkfA:20.4","2idwB-2rkfA:83.84"],["2IDW_B_017B401_2","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",6,"LEU A  35;ASP A  37;ALA A  40;ASP A  41;ILE A  71;ILE A 108","None","1.25A","2idwB-2rspA:12.7","2idwB-2rspA:33.60"],["2IDW_B_017B401_2","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","0.46A","2idwB-2rspA:12.7","2idwB-2rspA:33.60"],["2IDW_B_017B401_2","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","0.81A","2idwB-2vn8A:undetectable","2idwB-2vn8A:15.86"],["2IDW_B_017B401_2","2wsk","Escherichia coli","GLYCOGEN DEBRANCHING ENZYME","PF00128(Alpha-amylase);PF02922(CBM_48)",5,"LEU A 188;GLY A 255;ALA A 254;ILE A 248;ILE A 185","None","0.89A","2idwB-2wskA:undetectable","2idwB-2wskA:8.70"],["2IDW_B_017B401_2","2yfq","Peptoniphilus asaccharolyticus","NAD-SPECIFIC GLUTAMATE DEHYDROGENASE","PF00208(ELFV_dehydrog);PF02812(ELFV_dehydrog_N)",6,"LEU A 317;ALA A 213;ASP A 212;GLY A 236;ILE A 231;ILE A 208","None","1.35A","2idwB-2yfqA:undetectable","2idwB-2yfqA:13.78"],["2IDW_B_017B401_2","3gf7","[Clostridium] symbiosum","GLUTACONYL-COA DECARBOXYLASE SUBUNIT A","PF01039(Carboxyl_trans)",5,"LEU A 148;GLY A 191;ALA A 213;GLY A 256;ILE A 189","None","0.80A","2idwB-3gf7A:undetectable","2idwB-3gf7A:10.67"],["2IDW_B_017B401_2","3gmi","Methanocaldococcus jannaschii","UPF0348 PROTEIN MJ0951","PF05636(HIGH_NTase1);PF16581(HIGH_NTase1_ass)",5,"LEU A  62;GLY A 111;ALA A 112;ASP A 113;GLY A  73","None","0.93A","2idwB-3gmiA:undetectable","2idwB-3gmiA:15.03"],["2IDW_B_017B401_2","3gve","Bacillus subtilis","YFKN PROTEIN","PF00149(Metallophos)",5,"GLY A 121;ALA A 122;ASP A 123;ILE A  89;ILE A 126","None","0.59A","2idwB-3gveA:undetectable","2idwB-3gveA:14.41"],["2IDW_B_017B401_2","3hhd","Homo sapiens","FATTY ACID SYNTHASE","PF00109(ketoacyl-synt);PF00698(Acyl_transf_1);PF02801(Ketoacyl-synt_C);PF16197(KAsynt_C_assoc)",6,"LEU A 567;ALA A 590;ASP A 591;GLY A 579;ILE A 495;ILE A 564","None","1.40A","2idwB-3hhdA:undetectable","2idwB-3hhdA:7.84"],["2IDW_B_017B401_2","3i5g","Doryteuthis pealeii","MYOSIN HEAVY CHAIN ISOFORM A","PF00063(Myosin_head);PF00612(IQ);PF02736(Myosin_N)",6,"GLY A 264;ALA A 265;ASP A 266;GLY A 460;ILE A 459;ILE A 224","None","1.09A","2idwB-3i5gA:undetectable","2idwB-3i5gA:8.00"],["2IDW_B_017B401_2","3icf","Saccharomyces cerevisiae","SERINE\/THREONINE-PROTEIN PHOSPHATASE T","PF00149(Metallophos);PF08321(PPP5)",6,"LEU A 356;GLY A 361;ASP A 395;GLY A 414;ILE A 417;ILE A 430","None","1.45A","2idwB-3icfA:undetectable","2idwB-3icfA:15.32"],["2IDW_B_017B401_2","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","0.79A","2idwB-3jv7A:undetectable","2idwB-3jv7A:16.47"],["2IDW_B_017B401_2","3kl7","Parabacteroides distasonis","PUTATIVE METAL-DEPENDENT HYDROLASE","PF13483(Lactamase_B_3)",5,"LEU A 156;GLY A 153;ASP A 120;ILE A  77;ILE A 130","None","0.90A","2idwB-3kl7A:undetectable","2idwB-3kl7A:17.41"],["2IDW_B_017B401_2","3mdo","Parabacteroides distasonis","PUTATIVE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE","PF02769(AIRS_C)",6,"LEU A 251;GLY A 256;ALA A 255;ASP A 246;ILE A 319;ILE A 248","None","1.12A","2idwB-3mdoA:undetectable","2idwB-3mdoA:13.92"],["2IDW_B_017B401_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  48;ILE A  84","None","0.71A","2idwB-3mwsA:19.7","2idwB-3mwsA:78.79"],["2IDW_B_017B401_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","None","1.21A","2idwB-3mwsA:19.7","2idwB-3mwsA:78.79"],["2IDW_B_017B401_2","3mws","Human immunodeficiency virus 1","HIV-1 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","0.41A","2idwB-3mwsA:19.7","2idwB-3mwsA:78.79"],["2IDW_B_017B401_2","3mws","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;GLY A  49;ILE A  50;ILE A  84","None","0.40A","2idwB-3mwsA:19.7","2idwB-3mwsA:78.79"],["2IDW_B_017B401_2","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;GLY A  56","None;3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);3TL A 126 (-3.4A)","0.29A","2idwB-3slzA:11.0","2idwB-3slzA:25.95"],["2IDW_B_017B401_2","3sm9","Homo sapiens","METABOTROPIC GLUTAMATE RECEPTOR 3","PF01094(ANF_receptor)",5,"LEU A  61;GLY A  67;ASP A  52;ILE A 121;ILE A  54","None","0.93A","2idwB-3sm9A:undetectable","2idwB-3sm9A:13.49"],["2IDW_B_017B401_2","3t2y","Acidithiobacillus ferrooxidans","SULFIDE-QUINONE REDUCTASE, PUTATIVE","PF07992(Pyr_redox_2)",5,"LEU A   7;GLY A 106;ALA A 303;GLY A 281;ILE A 103","FAD A 500 (-4.7A);FAD A 500 (-3.1A);None;None;None","0.71A","2idwB-3t2yA:undetectable","2idwB-3t2yA:12.44"],["2IDW_B_017B401_2","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;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);017 A 201 (-4.0A);017 A 201 (-3.3A)","0.18A","2idwB-3t3cA:18.8","2idwB-3t3cA:75.76"],["2IDW_B_017B401_2","3tl2","Bacillus anthracis","MALATE DEHYDROGENASE","PF00056(Ldh_1_N);PF02866(Ldh_1_C)",5,"LEU A  40;ASP A  36;GLY A  12;ILE A  85;ILE A  37","None;EDO A 315 (-3.3A);EDO A 315 ( 4.1A);None;None","0.94A","2idwB-3tl2A:undetectable","2idwB-3tl2A:16.13"],["2IDW_B_017B401_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","None;017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-3.0A);017 A 201 (-3.3A);017 A 201 (-4.7A)","1.15A","2idwB-3ttpA:19.3","2idwB-3ttpA:76.77"],["2IDW_B_017B401_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-4.6A);017 A 201 (-3.0A);017 A 201 (-3.3A);017 A 201 (-4.7A)","0.46A","2idwB-3ttpA:19.3","2idwB-3ttpA:76.77"],["2IDW_B_017B401_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  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)","0.31A","2idwB-3u7sA:19.7","2idwB-3u7sA:76.77"],["2IDW_B_017B401_2","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","2idwB-3uhlA:16.3","2idwB-3uhlA:79.80"],["2IDW_B_017B401_2","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","0.95A","2idwB-4bo6A:undetectable","2idwB-4bo6A:16.67"],["2IDW_B_017B401_2","4db1","Homo sapiens","MYOSIN-7","PF00063(Myosin_head);PF02736(Myosin_N)",5,"ALA A 261;ASP A 262;GLY A 458;ILE A 457;ILE A 220","None","0.85A","2idwB-4db1A:undetectable","2idwB-4db1A:7.79"],["2IDW_B_017B401_2","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","0.82A","2idwB-4idaA:undetectable","2idwB-4idaA:17.45"],["2IDW_B_017B401_2","4na3","Bacillus subtilis","POLYKETIDE SYNTHASE PKSJ","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C);PF16197(KAsynt_C_assoc)",5,"LEU A 180;GLY A 201;ALA A 200;ILE A  12;ILE A 183","None","0.88A","2idwB-4na3A:undetectable","2idwB-4na3A:11.13"],["2IDW_B_017B401_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  48;ILE A  84","RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);RIT A 500 (-4.8A);RIT A 500 (-4.3A)","0.68A","2idwB-4njvA:20.2","2idwB-4njvA:84.85"],["2IDW_B_017B401_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","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);RIT A 500 (-4.3A)","1.22A","2idwB-4njvA:20.2","2idwB-4njvA:84.85"],["2IDW_B_017B401_2","4njv","Human immunodeficiency virus 1","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;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);RIT A 500 (-4.3A)","0.42A","2idwB-4njvA:20.2","2idwB-4njvA:84.85"],["2IDW_B_017B401_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",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;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-3.4A);RIT A 500 (-4.3A);RIT A 500 (-4.3A)","0.51A","2idwB-4njvA:20.2","2idwB-4njvA:84.85"],["2IDW_B_017B401_2","4nnm","Homo sapiens","TAX1-BINDING PROTEIN 3","PF00595(PDZ)",5,"LEU A 108;GLY A  71;ALA A  70;GLY A  65;ILE A  19","None","0.94A","2idwB-4nnmA:undetectable","2idwB-4nnmA:18.80"],["2IDW_B_017B401_2","4qpn","Homo sapiens","PROTEIN-LYSINE METHYLTRANSFERASE METTL21B","PF10294(Methyltransf_16)",5,"LEU A 109;GLY A  83;ALA A  84;ILE A  80;ILE A 112","None;SAH A 301 (-3.6A);None;None;None","0.88A","2idwB-4qpnA:undetectable","2idwB-4qpnA:20.21"],["2IDW_B_017B401_2","4ttp","Legionella pneumophila","DEPHOSPHO-COA KINASE","PF01121(CoaE)",6,"LEU A 168;ALA A 175;ASP A 176;ASP A 177;GLY A  12;ILE A 118","None","1.03A","2idwB-4ttpA:undetectable","2idwB-4ttpA:18.04"],["2IDW_B_017B401_2","4xib","Homo sapiens","E3 UBIQUITIN-PROTEIN LIGASE MIB1","PF00569(ZZ);PF06701(MIB_HERC2)",6,"LEU A 215;GLY A 154;ALA A 155;ASP A 220;GLY A 223;ILE A 151","None","1.40A","2idwB-4xibA:undetectable","2idwB-4xibA:14.25"],["2IDW_B_017B401_2","4y9w","Candida parapsilosis","ASPARTIC ACID ENDOPEPTIDASE SAPP2","PF00026(Asp)",5,"ASP A  32;GLY A  34;ASP A  37;GLY A  76;ILE A 116","None","0.72A","2idwB-4y9wA:7.5","2idwB-4y9wA:16.28"],["2IDW_B_017B401_2","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;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);4B1 A 201 (-3.4A);4B1 A 201 (-4.8A)","0.60A","2idwB-4ydfA:12.5","2idwB-4ydfA:32.17"],["2IDW_B_017B401_2","5amq","California encephalitis orthobunyavirus","RNA POLYMERASE L","PF04196(Bunya_RdRp);PF15518(L_protein_N)",6,"LEU A 138;GLY A  38;ASP A  79;ASP A  92;ILE A  47;ILE A 129","None","1.38A","2idwB-5amqA:undetectable","2idwB-5amqA:3.80"],["2IDW_B_017B401_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  84","None","0.64A","2idwB-5b18A:18.4","2idwB-5b18A:73.74"],["2IDW_B_017B401_2","5cni","Homo sapiens","METABOTROPIC GLUTAMATE RECEPTOR 2","PF01094(ANF_receptor)",5,"LEU A  79;GLY A  85;ASP A  70;ILE A 140;ILE A  72","None","0.94A","2idwB-5cniA:undetectable","2idwB-5cniA:12.13"],["2IDW_B_017B401_2","5cw2","Mycolicibacterium thermoresistibile","PUTATIVE EPOXIDE HYDROLASE EPHA","no annotation",5,"LEU C 315;GLY C  53;ALA C  52;ILE C  46;ILE C 312","None","0.94A","2idwB-5cw2C:undetectable","2idwB-5cw2C:16.25"],["2IDW_B_017B401_2","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","0.91A","2idwB-5erbA:undetectable","2idwB-5erbA:10.80"],["2IDW_B_017B401_2","5g5g","Escherichia coli","PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT","PF00111(Fer2);PF01799(Fer2_2)",5,"GLY A 211;ALA A 212;ASP A 154;GLY A 159;ILE A 216","None;None;None;FES A 230 (-4.2A);None","0.79A","2idwB-5g5gA:undetectable","2idwB-5g5gA:24.00"],["2IDW_B_017B401_2","5kzn","Homo sapiens","METABOTROPIC GLUTAMATE RECEPTOR 2","PF01094(ANF_receptor);PF07562(NCD3G)",5,"LEU A  79;GLY A  85;ASP A  70;ILE A 140;ILE A  72","None","0.91A","2idwB-5kznA:undetectable","2idwB-5kznA:10.65"],["2IDW_B_017B401_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","None","1.17A","2idwB-5t2zA:19.8","2idwB-5t2zA:80.81"],["2IDW_B_017B401_2","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;GLY A  49;ILE A  50;ILE A  84","None","0.44A","2idwB-5t2zA:19.8","2idwB-5t2zA:80.81"],["2IDW_B_017B401_2","5w1a","Drosophila melanogaster","MYOSIN HEAVY CHAIN, MUSCLE","no annotation",5,"GLY A 259;ALA A 260;ASP A 261;GLY A 457;ILE A 456","None","0.90A","2idwB-5w1aA:undetectable","2idwB-5w1aA:19.42"],["2IDW_B_017B401_2","5x1n","Sphingobium sp. SYK-6","VANILLATE\/3-O-METHYLGALLATE O-DEMETHYLASE","PF01571(GCV_T);PF08669(GCV_T_C)",6,"GLY A 168;ALA A 171;ASP A 173;GLY A 238;ILE A 240;ILE A 166","None","1.18A","2idwB-5x1nA:undetectable","2idwB-5x1nA:14.36"],["2IDW_B_017B401_2","5y6q","Methylobacillus sp. KY4400","ALDEHYDE OXIDASE SMALL SUBUNIT","no annotation",5,"GLY A 141;ALA A 142;ASP A  99;GLY A 104;ILE A 146","None;None;None;FES A 202 (-4.1A);None","0.88A","2idwB-5y6qA:undetectable","2idwB-5y6qA:20.62"],["2IDW_B_017B401_2","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)","0.28A","2idwB-6fivA:15.3","2idwB-6fivA:30.58"],["2IDW_B_017B401_2","6fq3","Danio rerio","E3 UBIQUITIN-PROTEIN LIGASE TRIM71","no annotation",5,"GLY A 437;ALA A 438;ASP A 467;GLY A 502;ILE A 522","None","0.95A","2idwB-6fq3A:undetectable","2idwB-6fq3A:17.71"],["2IDW_B_017B401_2","6fsa","-","-","no annotation",5,"ALA A 261;ASP A 262;GLY A 458;ILE A 457;ILE A 220","None","0.88A","2idwB-6fsaA:undetectable","2idwB-6fsaA:undetectable"],["2IDW_B_017B401_2","6grw","-","-","no annotation",5,"LEU A 247;GLY A 277;ALA A 276;GLY A 265;ILE A 287","None","0.82A","2idwB-6grwA:undetectable","2idwB-6grwA:undetectable"],["2IDW_B_017B401_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-3.6A);None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","1.44A","2idwB-6upjA:18.2","2idwB-6upjA:49.49"],["2IDW_B_017B401_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.65A","2idwB-6upjA:18.2","2idwB-6upjA:49.49"]]