SIMILAR PATTERNS OF AMINO ACIDS FOR 3D20_A_017A201_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)

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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.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	LEU E 30 ASP E 32 GLY E 34 ASP E 37 ILE E 120	None	0.63A	3d20B-1cziE: 6.6	3d20B-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.	1fob	BETA-1,4-GALACTANASE (Aspergillus aculeatus)	PF07745 (Glyco_hydro_53)	5	GLY A 40 ALA A 39 ASP A 38 PRO A 299 ILE A 328	None	0.87A	3d20B-1fobA: undetectable	3d20B-1fobA: 13.39
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	ALA A 28 ASP A 29 GLY A 48 VAL A 82 ILE A 84	A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-4.1A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.71A	3d20B-1hvcA: 13.8	3d20B-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	ALA A 28 ASP A 29 VAL A 32 GLY A 48 ILE A 84	A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.4A) A79 A 800 (-3.6A) A79 A 800 (-3.6A)	0.80A	3d20B-1hvcA: 13.8	3d20B-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A)	1.21A	3d20B-1hvcA: 13.8	3d20B-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A)	1.23A	3d20B-1hvcA: 13.8	3d20B-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 30 VAL A 32 PRO A 81 VAL A 82	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 (-4.5A)	0.58A	3d20B-1hvcA: 13.8	3d20B-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	11	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 VAL A 82 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 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 (-4.5A) A79 A 800 (-3.6A)	0.44A	3d20B-1hvcA: 13.8	3d20B-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	11	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 VAL A 82 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 (-3.4A) A79 A 800 ( 4.0A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.41A	3d20B-1hvcA: 13.8	3d20B-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	11	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 VAL A 82 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 (-3.4A) A79 A 800 ( 3.4A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.40A	3d20B-1hvcA: 13.8	3d20B-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.	1j2b	ARCHAEOSINE TRNA-GUANINE TRANSGLYCOSYLASE (Pyrococcus horikoshii)	PF01472 (PUA) PF01702 (TGT) PF14809 (TGT_C1) PF14810 (TGT_C2)	5	ASP A 535 GLY A 537 ASP A 542 GLY A 449 PRO A 504	None	0.72A	3d20B-1j2bA: undetectable	3d20B-1j2bA: 11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1j9l	STATIONARY PHASE SURVIVAL PROTEIN (Thermotoga maritima)	PF01975 (SurE)	5	LEU A 4 GLY A 112 ALA A 113 VAL A 87 ILE A 90	None	0.93A	3d20B-1j9lA: undetectable	3d20B-1j9lA: 15.60
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.	1kae	HISTIDINOL DEHYDROGENASE (Escherichia coli)	PF00815 (Histidinol_dh)	5	GLY A 227 ALA A 228 ASP A 204 GLY A 196 ILE A 206	None	0.85A	3d20B-1kaeA: undetectable	3d20B-1kaeA: 11.66
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.	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	0.93A	3d20B-1lk5A: undetectable	3d20B-1lk5A: 20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1prs	DEVELOPMENT-SPECIFIC PROTEIN S (Myxococcus xanthus)	PF00030 (Crystall)	5	LEU A 19 GLY A 22 VAL A 44 VAL A 6 ILE A 4	None	0.90A	3d20B-1prsA: undetectable	3d20B-1prsA: 22.81
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	3d20B-1q9pA: 10.3	3d20B-1q9pA: 98.95
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.	1rcq	CATABOLIC ALANINE RACEMASE DADX (Pseudomonas aeruginosa)	PF00842 (Ala_racemase_C) PF01168 (Ala_racemase_N)	5	GLY A 315 ALA A 314 ILE A 265 VAL A 286 ILE A 288	None	0.80A	3d20B-1rcqA: undetectable	3d20B-1rcqA: 15.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.23A	3d20B-1sivA: 18.3	3d20B-1sivA: 50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	None	0.42A	3d20B-1sivA: 18.3	3d20B-1sivA: 50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 PRO A 81 ILE A 84	None	0.50A	3d20B-1sivA: 18.3	3d20B-1sivA: 50.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1tjr	BX1 (Zea mays)	PF00290 (Trp_syntA)	5	GLY A 307 ALA A 308 ASP A 309 VAL A 269 ILE A 303	None	0.85A	3d20B-1tjrA: undetectable	3d20B-1tjrA: 19.59
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.	1uww	ENDOGLUCANASE (Bacillus akibai)	PF03424 (CBM_17_28)	5	ALA A 122 VAL A 89 ILE A 169 VAL A 147 ILE A 149	None	0.91A	3d20B-1uwwA: undetectable	3d20B-1uwwA: 21.13
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.	1v5j	KIAA1355 PROTEIN (Homo sapiens)	PF00041 (fn3)	5	GLY A 85 ALA A 84 VAL A 33 GLY A 60 PRO A 11	None	0.91A	3d20B-1v5jA: undetectable	3d20B-1v5jA: 21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1wdt	ELONGATION FACTOR G HOMOLOG (Thermus thermophilus)	PF00009 (GTP_EFTU) PF00679 (EFG_C) PF03764 (EFG_IV) PF14492 (EFG_II)	5	ALA A 237 VAL A 213 GLY A 231 VAL A 208 ILE A 212	None	0.85A	3d20B-1wdtA: undetectable	3d20B-1wdtA: 9.02
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.	1wsv	AMINOMETHYLTRANSFERA SE (Homo sapiens)	PF01571 (GCV_T) PF08669 (GCV_T_C)	5	LEU A 152 VAL A 192 GLY A 166 VAL A 207 ILE A 205	LEU A 152 ( 0.6A) VAL A 192 ( 0.6A) GLY A 166 ( 0.0A) VAL A 207 ( 0.6A) ILE A 205 ( 0.4A)	0.81A	3d20B-1wsvA: undetectable	3d20B-1wsvA: 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.	2bc0	NADH OXIDASE (Streptococcus pyogenes)	PF02852 (Pyr_redox_dim) PF07992 (Pyr_redox_2)	5	GLY A 453 ALA A 454 ASP A 456 ILE A 387 ILE A 426	None	0.59A	3d20B-2bc0A: undetectable	3d20B-2bc0A: 12.70
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.	2cda	GLUCOSE DEHYDROGENASE (Sulfolobus solfataricus)	PF08240 (ADH_N) PF16912 (Glu_dehyd_C)	5	LEU A 261 GLY A 255 ALA A 256 VAL A 264 ILE A 260	None NAP A1367 (-3.3A) NAP A1367 (-3.3A) None NAP A1367 ( 4.5A)	0.92A	3d20B-2cdaA: undetectable	3d20B-2cdaA: 16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2dph	FORMALDEHYDE DISMUTASE (Pseudomonas putida)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	6	GLY A 174 ALA A 201 VAL A 189 GLY A 296 ILE A 297 ILE A 191	None	1.43A	3d20B-2dphA: undetectable	3d20B-2dphA: 14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.92A	3d20B-2e4uA: undetectable	3d20B-2e4uA: 11.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 55 PRO A 86 VAL A 87 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 ( 4.9A) LP1 A 201 (-4.2A)	0.45A	3d20B-2fmbA: 14.9	3d20B-2fmbA: 34.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2g28	PYRUVATE DEHYDROGENASE E1 COMPONENT (Escherichia coli)	PF00456 (Transketolase_N)	5	LEU A 565 GLY A 573 PRO A 594 VAL A 516 ILE A 518	None	0.73A	3d20B-2g28A: undetectable	3d20B-2g28A: 8.21
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.	2ph3	3-OXOACYL-[ACYL CARRIER PROTEIN] REDUCTASE (Thermus thermophilus)	PF13561 (adh_short_C2)	5	LEU A 28 GLY A 14 ALA A 9 VAL A 54 ILE A 30	None	0.95A	3d20B-2ph3A: undetectable	3d20B-2ph3A: 18.47
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.	2qdl	CHEMOTAXIS SIGNAL TRANSDUCTION PROTEIN (Caldanaerobacter subterraneus)	PF01584 (CheW)	5	LEU A 95 VAL A 34 ILE A 14 VAL A 86 ILE A 84	None GOL A 166 ( 4.5A) None None None	0.87A	3d20B-2qdlA: undetectable	3d20B-2qdlA: 22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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 VAL A 279 ILE A 280	None	0.85A	3d20B-2ri6A: undetectable	3d20B-2ri6A: 15.77
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)	10	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	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) AB1 A 501 ( 4.2A)	0.46A	3d20B-2rkfA: 20.3	3d20B-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	6	LEU A 35 ASP A 37 GLY A 39 ALA A 40 ASP A 41 ILE A 108	None	0.42A	3d20B-2rspA: 12.7	3d20B-2rspA: 32.80
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.	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	0.82A	3d20B-2wskA: undetectable	3d20B-2wskA: 8.85
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.	2y23	MYOMESIN (Homo sapiens)	PF07679 (I-set)	5	ASP A1401 GLY A1409 ILE A1410 VAL A1428 ILE A1389	None	0.75A	3d20B-2y23A: undetectable	3d20B-2y23A: 17.79
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.	3d43	SPHERICASE (Lysinibacillus sphaericus)	PF00082 (Peptidase_S8)	5	ALA A 97 ASP A 96 GLY A 92 PRO A 254 ILE A 30	None	0.91A	3d20B-3d43A: undetectable	3d20B-3d43A: 16.13
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.	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	0.88A	3d20B-3dbgA: undetectable	3d20B-3dbgA: 11.78
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.	3gve	YFKN PROTEIN (Bacillus subtilis)	PF00149 (Metallophos)	5	GLY A 121 ALA A 122 ASP A 123 ILE A 89 ILE A 126	None	0.60A	3d20B-3gveA: undetectable	3d20B-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.	3hdy	UDP-GALACTOPYRANOSE MUTASE (Deinococcus radiodurans)	PF03275 (GLF) PF13450 (NAD_binding_8)	5	GLY A 38 ALA A 37 VAL A 237 VAL A 55 ILE A 57	FAD A 450 (-3.3A) None None None None	0.80A	3d20B-3hdyA: undetectable	3d20B-3hdyA: 13.13
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.	3hh1	TETRAPYRROLE METHYLASE FAMILY PROTEIN (Chlorobaculum tepidum)	PF00590 (TP_methylase)	5	LEU A 79 GLY A 111 ALA A 110 VAL A 75 ILE A 76	None	0.89A	3d20B-3hh1A: undetectable	3d20B-3hh1A: 23.20
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.	3i5g	MYOSIN HEAVY CHAIN ISOFORM A (Doryteuthis pealeii)	PF00063 (Myosin_head) PF00612 (IQ) PF02736 (Myosin_N)	5	GLY A 264 ALA A 265 ASP A 266 GLY A 460 ILE A 459	None	0.76A	3d20B-3i5gA: undetectable	3d20B-3i5gA: 7.76
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.	3it4	ARGININE BIOSYNTHESIS BIFUNCTIONAL PROTEIN ARGJ ALPHA CHAIN (Mycobacterium tuberculosis)	PF01960 (ArgJ)	5	LEU A 66 GLY A 92 ASP A 98 ILE A 130 VAL A 65	None	0.78A	3d20B-3it4A: undetectable	3d20B-3it4A: 18.00
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.	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	0.87A	3d20B-3kl7A: undetectable	3d20B-3kl7A: 16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.93A	3d20B-3mq0A: undetectable	3d20B-3mq0A: 16.29
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)	5	ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 48	None	0.69A	3d20B-3mwsA: 19.6	3d20B-3mwsA: 78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.25A	3d20B-3mwsA: 19.6	3d20B-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)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 PRO A 81 VAL A 82 ILE A 84	None	0.40A	3d20B-3mwsA: 19.6	3d20B-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)	11	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 VAL A 82 ILE A 84	None	0.33A	3d20B-3mwsA: 19.6	3d20B-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.	3o8l	6-PHOSPHOFRUCTOKINAS E, MUSCLE TYPE (Oryctolagus cuniculus)	PF00365 (PFK)	5	GLY A 224 ALA A 225 ILE A 192 VAL A 207 ILE A 261	PO4 A 767 ( 4.6A) None None None None	0.95A	3d20B-3o8lA: undetectable	3d20B-3o8lA: 9.41
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)	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)	0.58A	3d20B-3slzA: 11.4	3d20B-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.	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)	0.49A	3d20B-3slzA: 11.4	3d20B-3slzA: 25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	1.23A	3d20B-3t3cA: 18.4	3d20B-3t3cA: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	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 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 017 A 201 (-4.0A) 017 A 201 (-3.3A) None	0.42A	3d20B-3t3cA: 18.4	3d20B-3t3cA: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	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	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)	0.34A	3d20B-3ttpA: 19.3	3d20B-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)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50 PRO A 81	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) 017 A 202 (-4.0A)	1.32A	3d20B-3u7sA: 19.8	3d20B-3u7sA: 76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	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 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 (-2.9A) 017 A 201 ( 3.5A) 017 A 202 (-4.0A)	0.31A	3d20B-3u7sA: 19.8	3d20B-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)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 PRO A 81 VAL A 82	None	0.27A	3d20B-3uhlA: 16.1	3d20B-3uhlA: 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.	4g6c	BETA-HEXOSAMINIDASE 1 (Burkholderia cenocepacia)	PF00933 (Glyco_hydro_3)	5	ASP A 128 GLY A 174 VAL A 136 ILE A 215 ILE A 137	None	0.92A	3d20B-4g6cA: undetectable	3d20B-4g6cA: 15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4gbr	BETA-2 ADRENERGIC RECEPTOR (Homo sapiens)	PF00001 (7tm_1)	5	VAL A 44 GLY A 90 ILE A 94 VAL A 39 ILE A 43	None	0.93A	3d20B-4gbrA: undetectable	3d20B-4gbrA: 14.81
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.	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	0.81A	3d20B-4idaA: undetectable	3d20B-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.	4inj	LMO1638 PROTEIN (Listeria monocytogenes)	PF02016 (Peptidase_S66)	5	LEU A 162 ALA A 309 GLY A 306 ILE A 305 ILE A 321	None	0.91A	3d20B-4injA: undetectable	3d20B-4injA: 15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4jlw	GLUTATHIONE-INDEPEND ENT FORMALDEHYDE DEHYDROGENASE (Pseudomonas aeruginosa)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	6	GLY A 175 ALA A 202 VAL A 190 GLY A 298 ILE A 299 ILE A 192	None	1.39A	3d20B-4jlwA: undetectable	3d20B-4jlwA: 12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4lom	IMIDAZOLEGLYCEROL-PH OSPHATE DEHYDRATASE (Mycobacterium tuberculosis)	PF00475 (IGPD)	5	LEU A 165 GLY A 84 ALA A 161 VAL A 116 ILE A 163	None	0.87A	3d20B-4lomA: undetectable	3d20B-4lomA: 18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4m75	U6 SNRNA-ASSOCIATED SM-LIKE PROTEIN LSM5 (Saccharomyces cerevisiae)	PF01423 (LSM)	5	LEU E 81 GLY E 75 ILE E 44 VAL E 20 ILE E 22	None	0.92A	3d20B-4m75E: undetectable	3d20B-4m75E: 21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.94A	3d20B-4na3A: undetectable	3d20B-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	ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 48 ILE A 84	RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 (-4.8A) RIT A 500 (-4.3A)	0.77A	3d20B-4njvA: 20.0	3d20B-4njvA: 85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None RIT A 500 (-2.4A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-3.4A) RIT A 500 (-4.3A)	1.26A	3d20B-4njvA: 20.0	3d20B-4njvA: 85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 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 (-3.9A) RIT A 500 (-4.3A)	0.56A	3d20B-4njvA: 20.0	3d20B-4njvA: 85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 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) None RIT A 500 (-3.4A) RIT A 500 (-4.3A) RIT A 500 (-4.3A)	0.37A	3d20B-4njvA: 20.0	3d20B-4njvA: 85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 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) None RIT A 500 (-3.4A) RIT A 500 (-3.9A) RIT A 500 (-4.3A)	0.49A	3d20B-4njvA: 20.0	3d20B-4njvA: 85.86
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.	4oh1	L-IDITOL 2-DEHYDROGENASE ([Clostridium] scindens)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 247 ASP A 204 VAL A 202 GLY A 183 ILE A 178	None	0.95A	3d20B-4oh1A: undetectable	3d20B-4oh1A: 14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4pyr	PUTATIVE BRANCHED-CHAIN AMINO ACID ABC TRANSPORTER (Chromobacterium violaceum)	PF04348 (LppC)	5	LEU A 166 VAL A 88 GLY A 107 ILE A 337 ILE A 146	None	0.78A	3d20B-4pyrA: undetectable	3d20B-4pyrA: 14.85
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.	4r1u	CINNAMOYL COA REDUCTASE (Medicago truncatula)	PF01370 (Epimerase)	5	GLY A 97 ASP A 59 GLY A 8 VAL A 70 ILE A 66	None	0.93A	3d20B-4r1uA: undetectable	3d20B-4r1uA: 13.17
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.	4rwe	SUGAR-BINDING TRANSPORT PROTEIN (Yersinia pestis)	PF13407 (Peripla_BP_4)	5	GLY A 196 ALA A 190 ILE A 223 VAL A 214 ILE A 156	None None GOL A 401 ( 4.2A) None None	0.90A	3d20B-4rweA: undetectable	3d20B-4rweA: 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.	4xpr	ALPHA-GLUCOSIDASE (Pseudopedobacter saltans)	PF01055 (Glyco_hydro_31) PF17137 (DUF5110)	5	LEU A 118 ASP A 49 VAL A 194 VAL A 156 ILE A 154	None	0.93A	3d20B-4xprA: undetectable	3d20B-4xprA: 8.57
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)	0.47A	3d20B-4ydfA: 12.6	3d20B-4ydfA: 32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ydf	HTLV-1 PROTEASE (Primate T-lymphotropic virus 1)	PF00077 (RVP)	7	LEU A 30 ASP A 32 GLY A 34 ALA A 35 ASP A 36 VAL A 39 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 (-4.8A)	0.46A	3d20B-4ydfA: 12.6	3d20B-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.	4z26	PUTATIVE GMC-TYPE OXIDOREDUCTASE R135 (Acanthamoeba polyphaga mimivirus)	PF00732 (GMC_oxred_N) PF05199 (GMC_oxred_C)	5	LEU A 36 VAL A 296 ILE A 267 VAL A 10 ILE A 12	None	0.92A	3d20B-4z26A: undetectable	3d20B-4z26A: 10.50
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	0.42A	3d20B-5b18A: 18.2	3d20B-5b18A: 74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	GLY A 27 ALA A 28 ASP A 29 GLY A 49 PRO A 81 ILE A 84	None	0.97A	3d20B-5b18A: 18.2	3d20B-5b18A: 74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5cw5	BRCA1/BRCA2-CONTAINI NG COMPLEX SUBUNIT 3 (Camponotus floridanus)	PF01398 (JAB)	5	LEU A 79 VAL A 89 GLY A 33 ILE A 51 ILE A 36	None	0.95A	3d20B-5cw5A: undetectable	3d20B-5cw5A: 14.90
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.	5dlq	EXPORTIN-4 (Mus musculus)	no annotation	5	LEU B 608 ALA B 667 ILE B 660 VAL B 604 ILE B 605	None	0.94A	3d20B-5dlqB: undetectable	3d20B-5dlqB: 6.81
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.	5e84	78 KDA GLUCOSE-REGULATED PROTEIN (Homo sapiens)	PF00012 (HSP70)	5	LEU A 35 ASP A 391 VAL A 394 GLY A 226 PRO A 173	None None None ATP A 801 (-3.3A) ZN A 806 ( 4.6A)	0.90A	3d20B-5e84A: undetectable	3d20B-5e84A: 11.21
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.	5fmg	PROTEASOME, PUTATIVE (Plasmodium falciparum)	PF00227 (Proteasome)	5	ASP H 157 VAL H 12 ILE H 37 VAL H 231 ILE H 233	None	0.94A	3d20B-5fmgH: undetectable	3d20B-5fmgH: 14.80
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.	5h1k	GEM-ASSOCIATED PROTEIN 5 (Homo sapiens)	PF00400 (WD40) PF12894 (ANAPC4_WD40)	5	LEU A 157 GLY A 132 VAL A 177 VAL A 167 ILE A 169	None	0.83A	3d20B-5h1kA: undetectable	3d20B-5h1kA: 8.89
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.	5mz9	- (-)	no annotation	5	ALA A 303 GLY A 387 ILE A 385 VAL A 547 ILE A 395	None	0.89A	3d20B-5mz9A: undetectable	3d20B-5mz9A: undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.23A	3d20B-5t2zA: 20.2	3d20B-5t2zA: 81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	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	0.32A	3d20B-5t2zA: 20.2	3d20B-5t2zA: 81.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5tky	PUTATIVE UNCHARACTERIZED PROTEIN (Chaetomium thermophilum)	PF00012 (HSP70)	5	LEU A 14 ASP A 370 VAL A 373 GLY A 205 PRO A 150	None None None ATP A 700 (-3.5A) None	0.89A	3d20B-5tkyA: undetectable	3d20B-5tkyA: 9.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ve3	BPPRF (Paraburkholderia phytofirmans)	no annotation	5	GLY B 88 ALA B 89 ASP B 90 VAL B 59 ILE B 80	None	0.90A	3d20B-5ve3B: undetectable	3d20B-5ve3B: 12.85
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.	5vm2	ALCOHOL DEHYDROGENASE (Escherichia coli)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 237 ALA A 238 ASP A 239 VAL A 199 ILE A 173	None	0.82A	3d20B-5vm2A: undetectable	3d20B-5vm2A: 15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.92A	3d20B-5xj1A: undetectable	3d20B-5xj1A: 14.75
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.	5z2e	DIHYDRODIPICOLINATE REDUCTASE (Paenisporosarcina sp. TG-14)	no annotation	5	LEU A 73 ASP A 34 VAL A 32 VAL A 4 ILE A 6	None	0.95A	3d20B-5z2eA: undetectable	3d20B-5z2eA: 22.86
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)	7	LEU A 28 ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58 VAL A 99	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) None	0.42A	3d20B-6fivA: 15.6	3d20B-6fivA: 30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) None	0.61A	3d20B-6upjA: 17.6	3d20B-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)	8	LEU A 23 ASP A 25 GLY A 27 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) None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.70A	3d20B-6upjA: 17.6	3d20B-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	0.88A	3d20B-6upjA: 17.6	3d20B-6upjA: 48.48

[["3D20_A_017A201_2","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"LEU E  30;ASP E  32;GLY E  34;ASP E  37;ILE E 120","None","0.63A","3d20B-1cziE:6.6","3d20B-1cziE:17.42"],["3D20_A_017A201_2","1fob","Aspergillus aculeatus","BETA-1,4-GALACTANASE","PF07745(Glyco_hydro_53)",5,"GLY A  40;ALA A  39;ASP A  38;PRO A 299;ILE A 328","None","0.87A","3d20B-1fobA:undetectable","3d20B-1fobA:13.39"],["3D20_A_017A201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;GLY A  48;VAL A  82;ILE A  84","A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-4.1A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.71A","3d20B-1hvcA:13.8","3d20B-1hvcA:46.31"],["3D20_A_017A201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;VAL A  32;GLY A  48;ILE A  84","A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.4A);A79 A 800 (-3.6A);A79 A 800 (-3.6A)","0.80A","3d20B-1hvcA:13.8","3d20B-1hvcA:46.31"],["3D20_A_017A201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A)","1.21A","3d20B-1hvcA:13.8","3d20B-1hvcA:46.31"],["3D20_A_017A201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A)","1.23A","3d20B-1hvcA:13.8","3d20B-1hvcA:46.31"],["3D20_A_017A201_2","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;VAL A  82","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 (-4.5A)","0.58A","3d20B-1hvcA:13.8","3d20B-1hvcA:46.31"],["3D20_A_017A201_2","1hvc","Human immunodeficiency virus 1","HIV-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;VAL A  82;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 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 (-4.5A);A79 A 800 (-3.6A)","0.44A","3d20B-1hvcA:13.8","3d20B-1hvcA:46.31"],["3D20_A_017A201_2","1hvc","Human immunodeficiency virus 1","HIV-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;VAL A  82;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 (-3.4A);A79 A 800 ( 4.0A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.41A","3d20B-1hvcA:13.8","3d20B-1hvcA:46.31"],["3D20_A_017A201_2","1hvc","Human immunodeficiency virus 1","HIV-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;PRO A  81;VAL A  82;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 (-3.4A);A79 A 800 ( 3.4A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.40A","3d20B-1hvcA:13.8","3d20B-1hvcA:46.31"],["3D20_A_017A201_2","1j2b","Pyrococcus horikoshii","ARCHAEOSINE TRNA-GUANINE TRANSGLYCOSYLASE","PF01472(PUA);PF01702(TGT);PF14809(TGT_C1);PF14810(TGT_C2)",5,"ASP A 535;GLY A 537;ASP A 542;GLY A 449;PRO A 504","None","0.72A","3d20B-1j2bA:undetectable","3d20B-1j2bA:11.94"],["3D20_A_017A201_2","1j9l","Thermotoga maritima","STATIONARY PHASE SURVIVAL PROTEIN","PF01975(SurE)",5,"LEU A   4;GLY A 112;ALA A 113;VAL A  87;ILE A  90","None","0.93A","3d20B-1j9lA:undetectable","3d20B-1j9lA:15.60"],["3D20_A_017A201_2","1kae","Escherichia coli","HISTIDINOL DEHYDROGENASE","PF00815(Histidinol_dh)",5,"GLY A 227;ALA A 228;ASP A 204;GLY A 196;ILE A 206","None","0.85A","3d20B-1kaeA:undetectable","3d20B-1kaeA:11.66"],["3D20_A_017A201_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","0.93A","3d20B-1lk5A:undetectable","3d20B-1lk5A:20.09"],["3D20_A_017A201_2","1prs","Myxococcus xanthus","DEVELOPMENT-SPECIFIC PROTEIN S","PF00030(Crystall)",5,"LEU A  19;GLY A  22;VAL A  44;VAL A   6;ILE A   4","None","0.90A","3d20B-1prsA:undetectable","3d20B-1prsA:22.81"],["3D20_A_017A201_2","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","3d20B-1q9pA:10.3","3d20B-1q9pA:98.95"],["3D20_A_017A201_2","1rcq","Pseudomonas aeruginosa","CATABOLIC ALANINE RACEMASE DADX","PF00842(Ala_racemase_C);PF01168(Ala_racemase_N)",5,"GLY A 315;ALA A 314;ILE A 265;VAL A 286;ILE A 288","None","0.80A","3d20B-1rcqA:undetectable","3d20B-1rcqA:15.65"],["3D20_A_017A201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None","1.23A","3d20B-1sivA:18.3","3d20B-1sivA:50.98"],["3D20_A_017A201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","None","0.42A","3d20B-1sivA:18.3","3d20B-1sivA:50.98"],["3D20_A_017A201_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;PRO A  81;ILE A  84","None","0.50A","3d20B-1sivA:18.3","3d20B-1sivA:50.98"],["3D20_A_017A201_2","1tjr","Zea mays","BX1","PF00290(Trp_syntA)",5,"GLY A 307;ALA A 308;ASP A 309;VAL A 269;ILE A 303","None","0.85A","3d20B-1tjrA:undetectable","3d20B-1tjrA:19.59"],["3D20_A_017A201_2","1uww","Bacillus akibai","ENDOGLUCANASE","PF03424(CBM_17_28)",5,"ALA A 122;VAL A  89;ILE A 169;VAL A 147;ILE A 149","None","0.91A","3d20B-1uwwA:undetectable","3d20B-1uwwA:21.13"],["3D20_A_017A201_2","1v5j","Homo sapiens","KIAA1355 PROTEIN","PF00041(fn3)",5,"GLY A  85;ALA A  84;VAL A  33;GLY A  60;PRO A  11","None","0.91A","3d20B-1v5jA:undetectable","3d20B-1v5jA:21.05"],["3D20_A_017A201_2","1wdt","Thermus thermophilus","ELONGATION FACTOR G HOMOLOG","PF00009(GTP_EFTU);PF00679(EFG_C);PF03764(EFG_IV);PF14492(EFG_II)",5,"ALA A 237;VAL A 213;GLY A 231;VAL A 208;ILE A 212","None","0.85A","3d20B-1wdtA:undetectable","3d20B-1wdtA:9.02"],["3D20_A_017A201_2","1wsv","Homo sapiens","AMINOMETHYLTRANSFERASE","PF01571(GCV_T);PF08669(GCV_T_C)",5,"LEU A 152;VAL A 192;GLY A 166;VAL A 207;ILE A 205","LEU A 152 ( 0.6A);VAL A 192 ( 0.6A);GLY A 166 ( 0.0A);VAL A 207 ( 0.6A);ILE A 205 ( 0.4A)","0.81A","3d20B-1wsvA:undetectable","3d20B-1wsvA:15.20"],["3D20_A_017A201_2","2bc0","Streptococcus pyogenes","NADH OXIDASE","PF02852(Pyr_redox_dim);PF07992(Pyr_redox_2)",5,"GLY A 453;ALA A 454;ASP A 456;ILE A 387;ILE A 426","None","0.59A","3d20B-2bc0A:undetectable","3d20B-2bc0A:12.70"],["3D20_A_017A201_2","2cda","Sulfolobus solfataricus","GLUCOSE DEHYDROGENASE","PF08240(ADH_N);PF16912(Glu_dehyd_C)",5,"LEU A 261;GLY A 255;ALA A 256;VAL A 264;ILE A 260","None;NAP A1367 (-3.3A);NAP A1367 (-3.3A);None;NAP A1367 ( 4.5A)","0.92A","3d20B-2cdaA:undetectable","3d20B-2cdaA:16.91"],["3D20_A_017A201_2","2dph","Pseudomonas putida","FORMALDEHYDE DISMUTASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",6,"GLY A 174;ALA A 201;VAL A 189;GLY A 296;ILE A 297;ILE A 191","None","1.43A","3d20B-2dphA:undetectable","3d20B-2dphA:14.51"],["3D20_A_017A201_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","0.92A","3d20B-2e4uA:undetectable","3d20B-2e4uA:11.73"],["3D20_A_017A201_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  55;PRO A  86;VAL A  87;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 ( 4.9A);LP1 A 201 (-4.2A)","0.45A","3d20B-2fmbA:14.9","3d20B-2fmbA:34.91"],["3D20_A_017A201_2","2g28","Escherichia coli","PYRUVATE DEHYDROGENASE E1 COMPONENT","PF00456(Transketolase_N)",5,"LEU A 565;GLY A 573;PRO A 594;VAL A 516;ILE A 518","None","0.73A","3d20B-2g28A:undetectable","3d20B-2g28A:8.21"],["3D20_A_017A201_2","2ph3","Thermus thermophilus","3-OXOACYL-[ACYL CARRIER PROTEIN] REDUCTASE","PF13561(adh_short_C2)",5,"LEU A  28;GLY A  14;ALA A   9;VAL A  54;ILE A  30","None","0.95A","3d20B-2ph3A:undetectable","3d20B-2ph3A:18.47"],["3D20_A_017A201_2","2qdl","Caldanaerobacter subterraneus","CHEMOTAXIS SIGNAL TRANSDUCTION PROTEIN","PF01584(CheW)",5,"LEU A  95;VAL A  34;ILE A  14;VAL A  86;ILE A  84","None;GOL A 166 ( 4.5A);None;None;None","0.87A","3d20B-2qdlA:undetectable","3d20B-2qdlA:22.44"],["3D20_A_017A201_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;VAL A 279;ILE A 280","None","0.85A","3d20B-2ri6A:undetectable","3d20B-2ri6A:15.77"],["3D20_A_017A201_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",10,"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","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);AB1 A 501 ( 4.2A)","0.46A","3d20B-2rkfA:20.3","3d20B-2rkfA:82.83"],["3D20_A_017A201_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","0.42A","3d20B-2rspA:12.7","3d20B-2rspA:32.80"],["3D20_A_017A201_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","0.82A","3d20B-2wskA:undetectable","3d20B-2wskA:8.85"],["3D20_A_017A201_2","2y23","Homo sapiens","MYOMESIN","PF07679(I-set)",5,"ASP A1401;GLY A1409;ILE A1410;VAL A1428;ILE A1389","None","0.75A","3d20B-2y23A:undetectable","3d20B-2y23A:17.79"],["3D20_A_017A201_2","3d43","Lysinibacillus sphaericus","SPHERICASE","PF00082(Peptidase_S8)",5,"ALA A  97;ASP A  96;GLY A  92;PRO A 254;ILE A  30","None","0.91A","3d20B-3d43A:undetectable","3d20B-3d43A:16.13"],["3D20_A_017A201_2","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","0.88A","3d20B-3dbgA:undetectable","3d20B-3dbgA:11.78"],["3D20_A_017A201_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","0.60A","3d20B-3gveA:undetectable","3d20B-3gveA:14.41"],["3D20_A_017A201_2","3hdy","Deinococcus radiodurans","UDP-GALACTOPYRANOSE MUTASE","PF03275(GLF);PF13450(NAD_binding_8)",5,"GLY A  38;ALA A  37;VAL A 237;VAL A  55;ILE A  57","FAD A 450 (-3.3A);None;None;None;None","0.80A","3d20B-3hdyA:undetectable","3d20B-3hdyA:13.13"],["3D20_A_017A201_2","3hh1","Chlorobaculum tepidum","TETRAPYRROLE METHYLASE FAMILY PROTEIN","PF00590(TP_methylase)",5,"LEU A  79;GLY A 111;ALA A 110;VAL A  75;ILE A  76","None","0.89A","3d20B-3hh1A:undetectable","3d20B-3hh1A:23.20"],["3D20_A_017A201_2","3i5g","Doryteuthis pealeii","MYOSIN HEAVY CHAIN ISOFORM A","PF00063(Myosin_head);PF00612(IQ);PF02736(Myosin_N)",5,"GLY A 264;ALA A 265;ASP A 266;GLY A 460;ILE A 459","None","0.76A","3d20B-3i5gA:undetectable","3d20B-3i5gA:7.76"],["3D20_A_017A201_2","3it4","Mycobacterium tuberculosis","ARGININE BIOSYNTHESIS BIFUNCTIONAL PROTEIN ARGJ ALPHA CHAIN","PF01960(ArgJ)",5,"LEU A  66;GLY A  92;ASP A  98;ILE A 130;VAL A  65","None","0.78A","3d20B-3it4A:undetectable","3d20B-3it4A:18.00"],["3D20_A_017A201_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","0.87A","3d20B-3kl7A:undetectable","3d20B-3kl7A:16.96"],["3D20_A_017A201_2","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","0.93A","3d20B-3mq0A:undetectable","3d20B-3mq0A:16.29"],["3D20_A_017A201_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48","None","0.69A","3d20B-3mwsA:19.6","3d20B-3mwsA:78.79"],["3D20_A_017A201_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None","1.25A","3d20B-3mwsA:19.6","3d20B-3mwsA:78.79"],["3D20_A_017A201_2","3mws","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;PRO A  81;VAL A  82;ILE A  84","None","0.40A","3d20B-3mwsA:19.6","3d20B-3mwsA:78.79"],["3D20_A_017A201_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"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;VAL A  82;ILE A  84","None","0.33A","3d20B-3mwsA:19.6","3d20B-3mwsA:78.79"],["3D20_A_017A201_2","3o8l","Oryctolagus cuniculus","6-PHOSPHOFRUCTOKINASE, MUSCLE TYPE","PF00365(PFK)",5,"GLY A 224;ALA A 225;ILE A 192;VAL A 207;ILE A 261","PO4 A 767 ( 4.6A);None;None;None;None","0.95A","3d20B-3o8lA:undetectable","3d20B-3o8lA:9.41"],["3D20_A_017A201_2","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)","0.58A","3d20B-3slzA:11.4","3d20B-3slzA:25.95"],["3D20_A_017A201_2","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)","0.49A","3d20B-3slzA:11.4","3d20B-3slzA:25.95"],["3D20_A_017A201_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);017 A 201 (-3.3A)","1.23A","3d20B-3t3cA:18.4","3d20B-3t3cA:75.76"],["3D20_A_017A201_2","3t3c","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;GLY A  49;ILE A  50;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;017 A 201 (-4.0A);017 A 201 (-3.3A);None","0.42A","3d20B-3t3cA:18.4","3d20B-3t3cA:75.76"],["3D20_A_017A201_2","3ttp","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;GLY A  49;ILE A  50;PRO A  81;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 (-4.1A);017 A 201 (-4.7A)","0.34A","3d20B-3ttpA:19.3","3d20B-3ttpA:76.77"],["3D20_A_017A201_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50;PRO A  81","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);017 A 202 (-4.0A)","1.32A","3d20B-3u7sA:19.8","3d20B-3u7sA:76.77"],["3D20_A_017A201_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","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;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 (-2.9A);017 A 201 ( 3.5A);017 A 202 (-4.0A)","0.31A","3d20B-3u7sA:19.8","3d20B-3u7sA:76.77"],["3D20_A_017A201_2","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;PRO A  81;VAL A  82","None","0.27A","3d20B-3uhlA:16.1","3d20B-3uhlA:80.81"],["3D20_A_017A201_2","4g6c","Burkholderia cenocepacia","BETA-HEXOSAMINIDASE 1","PF00933(Glyco_hydro_3)",5,"ASP A 128;GLY A 174;VAL A 136;ILE A 215;ILE A 137","None","0.92A","3d20B-4g6cA:undetectable","3d20B-4g6cA:15.48"],["3D20_A_017A201_2","4gbr","Homo sapiens","BETA-2 ADRENERGIC RECEPTOR","PF00001(7tm_1)",5,"VAL A  44;GLY A  90;ILE A  94;VAL A  39;ILE A  43","None","0.93A","3d20B-4gbrA:undetectable","3d20B-4gbrA:14.81"],["3D20_A_017A201_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","0.81A","3d20B-4idaA:undetectable","3d20B-4idaA:17.45"],["3D20_A_017A201_2","4inj","Listeria monocytogenes","LMO1638 PROTEIN","PF02016(Peptidase_S66)",5,"LEU A 162;ALA A 309;GLY A 306;ILE A 305;ILE A 321","None","0.91A","3d20B-4injA:undetectable","3d20B-4injA:15.41"],["3D20_A_017A201_2","4jlw","Pseudomonas aeruginosa","GLUTATHIONE-INDEPENDENT FORMALDEHYDE DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",6,"GLY A 175;ALA A 202;VAL A 190;GLY A 298;ILE A 299;ILE A 192","None","1.39A","3d20B-4jlwA:undetectable","3d20B-4jlwA:12.21"],["3D20_A_017A201_2","4lom","Mycobacterium tuberculosis","IMIDAZOLEGLYCEROL-PHOSPHATE DEHYDRATASE","PF00475(IGPD)",5,"LEU A 165;GLY A  84;ALA A 161;VAL A 116;ILE A 163","None","0.87A","3d20B-4lomA:undetectable","3d20B-4lomA:18.43"],["3D20_A_017A201_2","4m75","Saccharomyces cerevisiae","U6 SNRNA-ASSOCIATED SM-LIKE PROTEIN LSM5","PF01423(LSM)",5,"LEU E  81;GLY E  75;ILE E  44;VAL E  20;ILE E  22","None","0.92A","3d20B-4m75E:undetectable","3d20B-4m75E:21.50"],["3D20_A_017A201_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","0.94A","3d20B-4na3A:undetectable","3d20B-4na3A:11.13"],["3D20_A_017A201_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48;ILE A  84","RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 (-4.8A);RIT A 500 (-4.3A)","0.77A","3d20B-4njvA:20.0","3d20B-4njvA:85.86"],["3D20_A_017A201_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None;RIT A 500 (-2.4A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-3.4A);RIT A 500 (-4.3A)","1.26A","3d20B-4njvA:20.0","3d20B-4njvA:85.86"],["3D20_A_017A201_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;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 (-3.9A);RIT A 500 (-4.3A)","0.56A","3d20B-4njvA:20.0","3d20B-4njvA:85.86"],["3D20_A_017A201_2","4njv","Human immunodeficiency virus 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","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);None;RIT A 500 (-3.4A);RIT A 500 (-4.3A);RIT A 500 (-4.3A)","0.37A","3d20B-4njvA:20.0","3d20B-4njvA:85.86"],["3D20_A_017A201_2","4njv","Human immunodeficiency virus 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;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);None;RIT A 500 (-3.4A);RIT A 500 (-3.9A);RIT A 500 (-4.3A)","0.49A","3d20B-4njvA:20.0","3d20B-4njvA:85.86"],["3D20_A_017A201_2","4oh1","[Clostridium] scindens","L-IDITOL 2-DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 247;ASP A 204;VAL A 202;GLY A 183;ILE A 178","None","0.95A","3d20B-4oh1A:undetectable","3d20B-4oh1A:14.16"],["3D20_A_017A201_2","4pyr","Chromobacterium violaceum","PUTATIVE BRANCHED-CHAIN AMINO ACID ABC TRANSPORTER","PF04348(LppC)",5,"LEU A 166;VAL A  88;GLY A 107;ILE A 337;ILE A 146","None","0.78A","3d20B-4pyrA:undetectable","3d20B-4pyrA:14.85"],["3D20_A_017A201_2","4r1u","Medicago truncatula","CINNAMOYL COA REDUCTASE","PF01370(Epimerase)",5,"GLY A  97;ASP A  59;GLY A   8;VAL A  70;ILE A  66","None","0.93A","3d20B-4r1uA:undetectable","3d20B-4r1uA:13.17"],["3D20_A_017A201_2","4rwe","Yersinia pestis","SUGAR-BINDING TRANSPORT PROTEIN","PF13407(Peripla_BP_4)",5,"GLY A 196;ALA A 190;ILE A 223;VAL A 214;ILE A 156","None;None;GOL A 401 ( 4.2A);None;None","0.90A","3d20B-4rweA:undetectable","3d20B-4rweA:18.18"],["3D20_A_017A201_2","4xpr","Pseudopedobacter saltans","ALPHA-GLUCOSIDASE","PF01055(Glyco_hydro_31);PF17137(DUF5110)",5,"LEU A 118;ASP A  49;VAL A 194;VAL A 156;ILE A 154","None","0.93A","3d20B-4xprA:undetectable","3d20B-4xprA:8.57"],["3D20_A_017A201_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)","0.47A","3d20B-4ydfA:12.6","3d20B-4ydfA:32.17"],["3D20_A_017A201_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;VAL A  39;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 (-4.8A)","0.46A","3d20B-4ydfA:12.6","3d20B-4ydfA:32.17"],["3D20_A_017A201_2","4z26","Acanthamoeba polyphaga mimivirus","PUTATIVE GMC-TYPE OXIDOREDUCTASE R135","PF00732(GMC_oxred_N);PF05199(GMC_oxred_C)",5,"LEU A  36;VAL A 296;ILE A 267;VAL A  10;ILE A  12","None","0.92A","3d20B-4z26A:undetectable","3d20B-4z26A:10.50"],["3D20_A_017A201_2","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","0.42A","3d20B-5b18A:18.2","3d20B-5b18A:74.75"],["3D20_A_017A201_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;GLY A  49;PRO A  81;ILE A  84","None","0.97A","3d20B-5b18A:18.2","3d20B-5b18A:74.75"],["3D20_A_017A201_2","5cw5","Camponotus floridanus","BRCA1\/BRCA2-CONTAINING COMPLEX SUBUNIT 3","PF01398(JAB)",5,"LEU A  79;VAL A  89;GLY A  33;ILE A  51;ILE A  36","None","0.95A","3d20B-5cw5A:undetectable","3d20B-5cw5A:14.90"],["3D20_A_017A201_2","5dlq","Mus musculus","EXPORTIN-4","no annotation",5,"LEU B 608;ALA B 667;ILE B 660;VAL B 604;ILE B 605","None","0.94A","3d20B-5dlqB:undetectable","3d20B-5dlqB:6.81"],["3D20_A_017A201_2","5e84","Homo sapiens","78 KDA GLUCOSE-REGULATED PROTEIN","PF00012(HSP70)",5,"LEU A  35;ASP A 391;VAL A 394;GLY A 226;PRO A 173","None;None;None;ATP A 801 (-3.3A); ZN A 806 ( 4.6A)","0.90A","3d20B-5e84A:undetectable","3d20B-5e84A:11.21"],["3D20_A_017A201_2","5fmg","Plasmodium falciparum","PROTEASOME, PUTATIVE","PF00227(Proteasome)",5,"ASP H 157;VAL H  12;ILE H  37;VAL H 231;ILE H 233","None","0.94A","3d20B-5fmgH:undetectable","3d20B-5fmgH:14.80"],["3D20_A_017A201_2","5h1k","Homo sapiens","GEM-ASSOCIATED PROTEIN 5","PF00400(WD40);PF12894(ANAPC4_WD40)",5,"LEU A 157;GLY A 132;VAL A 177;VAL A 167;ILE A 169","None","0.83A","3d20B-5h1kA:undetectable","3d20B-5h1kA:8.89"],["3D20_A_017A201_2","5mz9","-","-","no annotation",5,"ALA A 303;GLY A 387;ILE A 385;VAL A 547;ILE A 395","None","0.89A","3d20B-5mz9A:undetectable","3d20B-5mz9A:undetectable"],["3D20_A_017A201_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None","1.23A","3d20B-5t2zA:20.2","3d20B-5t2zA:81.82"],["3D20_A_017A201_2","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","0.32A","3d20B-5t2zA:20.2","3d20B-5t2zA:81.82"],["3D20_A_017A201_2","5tky","Chaetomium thermophilum","PUTATIVE UNCHARACTERIZED PROTEIN","PF00012(HSP70)",5,"LEU A  14;ASP A 370;VAL A 373;GLY A 205;PRO A 150","None;None;None;ATP A 700 (-3.5A);None","0.89A","3d20B-5tkyA:undetectable","3d20B-5tkyA:9.34"],["3D20_A_017A201_2","5ve3","Paraburkholderia phytofirmans","BPPRF","no annotation",5,"GLY B  88;ALA B  89;ASP B  90;VAL B  59;ILE B  80","None","0.90A","3d20B-5ve3B:undetectable","3d20B-5ve3B:12.85"],["3D20_A_017A201_2","5vm2","Escherichia coli","ALCOHOL DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 237;ALA A 238;ASP A 239;VAL A 199;ILE A 173","None","0.82A","3d20B-5vm2A:undetectable","3d20B-5vm2A:15.47"],["3D20_A_017A201_2","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","0.92A","3d20B-5xj1A:undetectable","3d20B-5xj1A:14.75"],["3D20_A_017A201_2","5z2e","Paenisporosarcina sp. TG-14","DIHYDRODIPICOLINATE REDUCTASE","no annotation",5,"LEU A  73;ASP A  34;VAL A  32;VAL A   4;ILE A   6","None","0.95A","3d20B-5z2eA:undetectable","3d20B-5z2eA:22.86"],["3D20_A_017A201_2","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",7,"LEU A  28;ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58;VAL A  99","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);None","0.42A","3d20B-6fivA:15.6","3d20B-6fivA:30.25"],["3D20_A_017A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);None","0.61A","3d20B-6upjA:17.6","3d20B-6upjA:48.48"],["3D20_A_017A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;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);None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.70A","3d20B-6upjA:17.6","3d20B-6upjA:48.48"],["3D20_A_017A201_2","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","0.88A","3d20B-6upjA:17.6","3d20B-6upjA:48.48"]]