SIMILAR PATTERNS OF AMINO ACIDS FOR 2Q5K_A_AB1A201_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.	1bou	4,5-DIOXYGENASE BETA CHAIN (Sphingomonas paucimobilis)	PF02900 (LigB)	5	GLY B 274 ALA B 275 ILE B 8 GLY B 189 VAL B 131	None	0.75A	2q5kB-1bouB: undetectable	2q5kB-1bouB: 15.18
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.	1dms	DMSO REDUCTASE (Rhodobacter capsulatus)	PF00384 (Molybdopterin) PF01568 (Molydop_binding)	5	GLY A 754 ASP A 441 GLY A 744 PRO A 398 VAL A 399	PGD A 782 (-3.8A) None None None None	0.87A	2q5kB-1dmsA: undetectable	2q5kB-1dmsA: 8.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1e6v	METHYL-COENZYME M REDUCTASE I ALPHA SUBUNIT (Methanopyrus kandleri)	PF02249 (MCR_alpha) PF02745 (MCR_alpha_N)	5	ASP A 181 ASP A 180 ILE A 179 ILE A 187 VAL A 210	None	0.90A	2q5kB-1e6vA: undetectable	2q5kB-1e6vA: 11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1fob	BETA-1,4-GALACTANASE (Aspergillus aculeatus)	PF07745 (Glyco_hydro_53)	6	GLY A 40 ALA A 39 ASP A 38 VAL A 324 ILE A 35 ILE A 44	None	1.22A	2q5kB-1fobA: undetectable	2q5kB-1fobA: 13.21
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 47 GLY A 49 ILE A 50 PRO A 81 VAL A 82	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 ( 3.2A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 ( 3.9A) A79 A 800 (-4.5A)	0.78A	2q5kB-1hvcA: 13.9	2q5kB-1hvcA: 48.28
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	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 47 GLY A 49 ILE A 50 PRO A 81 VAL A 82	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 ( 4.0A) A79 A 800 ( 3.4A) A79 A 800 (-4.5A)	0.66A	2q5kB-1hvcA: 13.9	2q5kB-1hvcA: 48.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1p2f	RESPONSE REGULATOR (Thermotoga maritima)	PF00072 (Response_reg) PF00486 (Trans_reg_C)	5	GLY A 93 ALA A 94 ASP A 95 ILE A 75 ILE A 61	None	0.84A	2q5kB-1p2fA: undetectable	2q5kB-1p2fA: 16.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1q9p	HIV-1 PROTEASE (Homo sapiens)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32	None	0.53A	2q5kB-1q9pA: 10.2	2q5kB-1q9pA: 92.63
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 30 VAL A 32 PRO A 81	None	0.78A	2q5kB-1q9pA: 10.2	2q5kB-1q9pA: 92.63
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.	1rjw	ALCOHOL DEHYDROGENASE (Geobacillus stearothermophilus)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	6	GLY A 36 ALA A 144 ILE A 134 GLY A 84 ILE A 85 VAL A 151	None	1.45A	2q5kB-1rjwA: undetectable	2q5kB-1rjwA: 18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	ARG A 8 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	0.81A	2q5kB-1sivA: 18.9	2q5kB-1sivA: 50.51
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.	1vrg	PROPIONYL-COA CARBOXYLASE, BETA SUBUNIT (Thermotoga maritima)	PF01039 (Carboxyl_trans)	6	GLY A 416 ALA A 417 ASP A 418 ILE A 395 ILE A 346 VAL A 360	None	1.13A	2q5kB-1vrgA: undetectable	2q5kB-1vrgA: 12.42
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.	1x0u	HYPOTHETICAL METHYLMALONYL-COA DECARBOXYLASE ALPHA SUBUNIT (Sulfurisphaera tokodaii)	PF01039 (Carboxyl_trans)	5	GLY A 424 ALA A 425 ASP A 426 ILE A 403 ILE A 354	None	0.87A	2q5kB-1x0uA: undetectable	2q5kB-1x0uA: 11.84
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.	1xa0	PUTATIVE NADPH DEPENDENT OXIDOREDUCTASES (Geobacillus stearothermophilus)	PF00107 (ADH_zinc_N)	5	GLY A 131 ALA A 130 ILE A 66 ILE A 87 VAL A 324	None SO4 A 329 ( 4.2A) None None None	0.88A	2q5kB-1xa0A: undetectable	2q5kB-1xa0A: 16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1xqi	NUCLEOSIDE DIPHOSPHATE KINASE (Pyrobaculum aerophilum)	PF00334 (NDK)	6	ARG A 165 ASP A 25 ALA A 26 VAL A 171 ILE A 148 ILE A 154	None	1.43A	2q5kB-1xqiA: undetectable	2q5kB-1xqiA: 22.34
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.	1yr2	PROLYL OLIGOPEPTIDASE (Novosphingobium capsulatum)	PF00326 (Peptidase_S9) PF02897 (Peptidase_S9_N)	6	GLY A 539 ALA A 538 ASP A 537 GLY A 529 PRO A 475 VAL A 474	None	1.10A	2q5kB-1yr2A: undetectable	2q5kB-1yr2A: 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.	1yw6	SUCCINYLGLUTAMATE DESUCCINYLASE (Escherichia coli)	PF04952 (AstE_AspA)	5	ARG A 250 GLY A 180 ALA A 179 GLY A 242 ILE A 243	None	0.85A	2q5kB-1yw6A: undetectable	2q5kB-1yw6A: 17.59
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.	1yy3	S-ADENOSYLMETHIONINE :TRNA RIBOSYLTRANSFERASE-I SOMERASE (Bacillus subtilis)	PF02547 (Queuosine_synth)	5	ASP A 54 VAL A 57 ILE A 249 GLY A 293 ILE A 341	None	0.91A	2q5kB-1yy3A: undetectable	2q5kB-1yy3A: 14.49
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.	2bkl	PROLYL ENDOPEPTIDASE (Myxococcus xanthus)	PF00326 (Peptidase_S9) PF02897 (Peptidase_S9_N)	6	GLY A 497 ALA A 496 ASP A 495 GLY A 487 PRO A 431 VAL A 430	None	1.10A	2q5kB-2bklA: undetectable	2q5kB-2bklA: 10.04
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.	2czd	OROTIDINE 5'-PHOSPHATE DECARBOXYLASE (Pyrococcus horikoshii)	PF00215 (OMPdecase)	5	GLY A 78 ALA A 79 ASP A 80 ILE A 55 ILE A 42	None	0.94A	2q5kB-2czdA: undetectable	2q5kB-2czdA: 20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2eja	UROPORPHYRINOGEN DECARBOXYLASE (Aquifex aeolicus)	PF01208 (URO-D)	5	GLY A 192 ALA A 193 ASP A 194 ILE A 134 ILE A 120	None	0.81A	2q5kB-2ejaA: undetectable	2q5kB-2ejaA: 13.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	7	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 53 PRO A 86	LP1 A 201 (-3.5A) LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) LP1 A 201 (-4.6A) LP1 A 201 (-3.9A)	0.55A	2q5kB-2fmbA: 14.9	2q5kB-2fmbA: 33.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 ILE A 53 GLY A 55 PRO A 86 VAL A 87	LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) None LP1 A 201 (-4.6A) LP1 A 201 (-3.4A) LP1 A 201 (-3.9A) LP1 A 201 ( 4.9A)	0.62A	2q5kB-2fmbA: 14.9	2q5kB-2fmbA: 33.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	5	GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 54	LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) None LP1 A 201 (-3.6A)	0.92A	2q5kB-2fmbA: 14.9	2q5kB-2fmbA: 33.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2isq	CYSTEINE SYNTHASE (Arabidopsis thaliana)	PF00291 (PALP)	5	GLY A 190 ALA A 189 GLY A 183 ILE A 180 PRO A 296	None None PLP A 400 (-3.4A) PLP A 400 (-4.9A) PLP A 400 (-4.0A)	0.88A	2q5kB-2isqA: undetectable	2q5kB-2isqA: 16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2qjg	PUTATIVE ALDOLASE MJ0400 (Methanocaldococcus jannaschii)	PF01791 (DeoC)	5	GLY A 179 ALA A 180 ASP A 181 ILE A 149 VAL A 120	None	0.91A	2q5kB-2qjgA: undetectable	2q5kB-2qjgA: 15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2qma	DIAMINOBUTYRATE-PYRU VATE TRANSAMINASE AND L-2,4-DIAMINOBUTYRAT E DECARBOXYLASE (Vibrio parahaemolyticus)	PF00282 (Pyridoxal_deC)	5	GLY A 728 ALA A 727 ASP A 755 VAL A 774 ILE A 780	None	0.88A	2q5kB-2qmaA: undetectable	2q5kB-2qmaA: 10.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 PRO A 81	AB1 A 501 ( 4.7A) 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 (-4.2A)	0.68A	2q5kB-2rkfA: 20.5	2q5kB-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 PRO A 81	AB1 A 501 ( 4.7A) AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 (-4.2A)	0.55A	2q5kB-2rkfA: 20.5	2q5kB-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	5	ARG A 10 ASP A 37 GLY A 39 ALA A 40 ASP A 41	None	0.84A	2q5kB-2rspA: 12.8	2q5kB-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.	3aqp	PROBABLE SECDF PROTEIN-EXPORT MEMBRANE PROTEIN (Thermus thermophilus)	PF02355 (SecD_SecF) PF07549 (Sec_GG)	5	GLY A 327 ALA A 329 GLY A 274 ILE A 271 VAL A 693	None	0.88A	2q5kB-3aqpA: undetectable	2q5kB-3aqpA: 8.86
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.	3c8l	FTSZ-LIKE PROTEIN OF UNKNOWN FUNCTION (Nostoc punctiforme)	PF09585 (Lin0512_fam)	6	GLY A 11 ALA A 112 VAL A 85 GLY A 89 ILE A 109 PRO A 21	None	1.39A	2q5kB-3c8lA: undetectable	2q5kB-3c8lA: 23.02
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.	3cu2	RIBULOSE-5-PHOSPHATE 3-EPIMERASE (Histophilus somni)	PF00834 (Ribul_P_3_epim)	6	GLY A 91 ALA A 92 ASP A 72 GLY A 61 ILE A 60 VAL A 83	None	1.47A	2q5kB-3cu2A: undetectable	2q5kB-3cu2A: 19.13
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.	3dlc	PUTATIVE S-ADENOSYL-L-METHION INE-DEPENDENT METHYLTRANSFERASE (Methanococcus maripaludis)	PF08241 (Methyltransf_11)	5	ASP A 72 GLY A 52 ASP A 48 VAL A 101 GLY A 118	SAM A 220 (-2.9A) SAM A 220 (-3.2A) SAM A 220 ( 4.9A) SAM A 220 ( 4.2A) SAM A 220 (-4.7A)	0.94A	2q5kB-3dlcA: undetectable	2q5kB-3dlcA: 18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3fs2	2-DEHYDRO-3-DEOXYPHO SPHOOCTONATE ALDOLASE (Brucella melitensis)	PF00793 (DAHP_synth_1)	5	GLY A 75 ASP A 61 ILE A 98 PRO A 109 VAL A 110	None	0.92A	2q5kB-3fs2A: undetectable	2q5kB-3fs2A: 14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.87A	2q5kB-3i5gA: undetectable	2q5kB-3i5gA: 8.34
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.	3iay	DNA POLYMERASE DELTA CATALYTIC SUBUNIT (Saccharomyces cerevisiae)	PF00136 (DNA_pol_B) PF03104 (DNA_pol_B_exo1)	5	ASP A 976 GLY A 975 ALA A 971 ILE A 811 GLY A 598	None	0.95A	2q5kB-3iayA: undetectable	2q5kB-3iayA: 7.72
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.	3igs	N-ACETYLMANNOSAMINE- 6-PHOSPHATE 2-EPIMERASE 2 (Salmonella enterica)	PF04131 (NanE)	5	GLY A 146 ALA A 147 ASP A 148 VAL A 104 ILE A 122	None	0.86A	2q5kB-3igsA: undetectable	2q5kB-3igsA: 15.04
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.	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	PF00415 (RCC1)	5	GLY A4099 ALA A4098 VAL A4042 ILE A3991 GLY A3993	None	0.82A	2q5kB-3kciA: undetectable	2q5kB-3kciA: 12.47
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.	3kf3	INVERTASE (Schwanniomyces occidentalis)	PF00251 (Glyco_hydro_32N) PF08244 (Glyco_hydro_32C)	5	ASP A 287 GLY A 289 ASP A 291 ILE A 485 PRO A 355	None None None None NAG A5001 ( 4.9A)	0.88A	2q5kB-3kf3A: undetectable	2q5kB-3kf3A: 12.63
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)	12	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 47 GLY A 49 ILE A 50 PRO A 81 VAL A 82	None	0.42A	2q5kB-3mwsA: 20.1	2q5kB-3mwsA: 77.78
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.	3nns	DNA BINDING RESPONSE REGULATOR B (Thermotoga maritima)	PF00072 (Response_reg)	5	GLY A 93 ALA A 94 ASP A 95 ILE A 75 ILE A 61	None	0.84A	2q5kB-3nnsA: undetectable	2q5kB-3nnsA: 22.13
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.	3o21	GLUTAMATE RECEPTOR 3 (Rattus norvegicus)	PF01094 (ANF_receptor)	5	GLY A 119 ALA A 120 VAL A 357 PRO A 379 VAL A 378	None	0.93A	2q5kB-3o21A: undetectable	2q5kB-3o21A: 15.79
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.	3pqs	TRANSFERRIN-BINDING PROTEIN (Actinobacillus pleuropneumoniae)	PF01298 (TbpB_B_D) PF17483 (TbpB_C) PF17484 (TbpB_A)	5	GLY A 463 ALA A 454 VAL A 429 ILE A 456 GLY A 460	None	0.92A	2q5kB-3pqsA: undetectable	2q5kB-3pqsA: 11.59
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.	3qe7	URACIL PERMEASE (Escherichia coli)	PF00860 (Xan_ur_permease)	5	GLY A 93 ALA A 90 GLY A 281 PRO A 36 VAL A 35	None	0.95A	2q5kB-3qe7A: undetectable	2q5kB-3qe7A: 13.79
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	ASP A 32 GLY A 34 ALA A 35 VAL A 39 GLY A 56	3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) None 3TL A 126 (-3.4A)	0.55A	2q5kB-3slzA: 11.3	2q5kB-3slzA: 26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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)	0.75A	2q5kB-3slzA: 11.3	2q5kB-3slzA: 26.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 ILE A 47 GLY A 49 ILE A 50	SO4 A 101 (-3.8A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) None None 017 A 201 (-4.0A) 017 A 201 (-3.3A)	0.85A	2q5kB-3t3cA: 18.4	2q5kB-3t3cA: 77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ARG A 8 GLY A 27 ALA A 28 ASP A 29 VAL A 32 ILE A 47 GLY A 49 ILE A 50 PRO A 81	SO4 A 101 (-3.8A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) None None 017 A 201 (-4.0A) 017 A 201 (-3.3A) None	1.10A	2q5kB-3t3cA: 18.4	2q5kB-3t3cA: 77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 47	017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) None None	0.79A	2q5kB-3t3cA: 18.4	2q5kB-3t3cA: 77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 47 PRO A 81	017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) None None None	0.98A	2q5kB-3t3cA: 18.4	2q5kB-3t3cA: 77.78
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.	3t44	INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE (Mycobacterium tuberculosis)	PF00218 (IGPS)	5	GLY A 235 ALA A 236 ASP A 237 ILE A 217 ILE A 206	None	0.81A	2q5kB-3t44A: undetectable	2q5kB-3t44A: 15.24
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	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81	017 A 201 ( 4.8A) 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)	0.54A	2q5kB-3ttpA: 19.6	2q5kB-3ttpA: 79.80
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	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 47 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 (-3.6A) 017 A 202 (-4.0A)	0.68A	2q5kB-3u7sA: 19.8	2q5kB-3u7sA: 78.79
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	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 47 GLY A 49 ILE A 50 PRO A 81	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 202 (-3.6A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A) 017 A 202 (-4.0A)	0.77A	2q5kB-3u7sA: 19.8	2q5kB-3u7sA: 78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3uhl	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 PRO A 81 VAL A 82	None	0.63A	2q5kB-3uhlA: 16.1	2q5kB-3uhlA: 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.	3zwf	ZINC PHOSPHODIESTERASE ELAC PROTEIN 1 (Homo sapiens)	PF00753 (Lactamase_B) PF12706 (Lactamase_B_2)	5	GLY A 188 ALA A 177 ILE A 156 GLY A 95 ILE A 60	None	0.89A	2q5kB-3zwfA: undetectable	2q5kB-3zwfA: 14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3zyy	IRON-SULFUR CLUSTER BINDING PROTEIN (Carboxydothermus hydrogenoformans)	PF00111 (Fer2) PF14574 (DUF4445)	5	GLY X 577 ALA X 578 ILE X 345 GLY X 355 ILE X 357	None	0.88A	2q5kB-3zyyX: undetectable	2q5kB-3zyyX: 10.41
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.	4b2o	YMDB PHOSPHODIESTERASE (Bacillus subtilis)	PF13277 (YmdB)	5	GLY A 59 ALA A 60 ASP A 61 ILE A 35 VAL A 9	None	0.79A	2q5kB-4b2oA: undetectable	2q5kB-4b2oA: 16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4c3y	3-KETOSTEROID DEHYDROGENASE (Rhodococcus erythropolis)	PF00890 (FAD_binding_2)	6	GLY A 459 ALA A 504 ASP A 507 VAL A 10 GLY A 471 ILE A 469	None	1.43A	2q5kB-4c3yA: undetectable	2q5kB-4c3yA: 12.43
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.	4dzh	AMIDOHYDROLASE (Xanthomonas campestris)	PF01979 (Amidohydro_1)	5	ALA A 355 ILE A 25 GLY A 370 ILE A 369 VAL A 381	None	0.95A	2q5kB-4dzhA: undetectable	2q5kB-4dzhA: 12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ex6	ALNB (Streptomyces sp. CM020)	PF13419 (HAD_2)	6	GLY A 207 ALA A 208 ASP A 209 VAL A 212 ILE A 191 GLY A 174	None	1.48A	2q5kB-4ex6A: undetectable	2q5kB-4ex6A: 19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4fi4	MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN (Caulobacter sp. K31)	PF02746 (MR_MLE_N) PF13378 (MR_MLE_C)	5	GLY A 33 ALA A 89 GLY A 292 ILE A 293 VAL A 67	None	0.95A	2q5kB-4fi4A: undetectable	2q5kB-4fi4A: 12.47
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.	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	PF00067 (p450)	5	ARG A 184 GLY A 191 ALA A 190 ASP A 220 GLY A 227	None	0.75A	2q5kB-4ictA: undetectable	2q5kB-4ictA: 17.20
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.	4ilk	STARVATION SENSING PROTEIN RSPB (Escherichia coli)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 206 ALA A 207 ASP A 208 ILE A 190 ILE A 176	None	0.80A	2q5kB-4ilkA: undetectable	2q5kB-4ilkA: 14.91
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.	4j5u	SERINE HYDROXYMETHYLTRANSFE RASE (Rickettsia rickettsii)	PF00464 (SHMT)	5	ALA A 173 ASP A 201 VAL A 224 ILE A 202 PRO A 219	None LLP A 230 ( 2.9A) None None None	0.81A	2q5kB-4j5uA: undetectable	2q5kB-4j5uA: 13.81
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.	4jga	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Rickettsia rickettsii)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C)	5	GLY A 276 ALA A 301 ASP A 304 ILE A 273 ILE A 184	None	0.90A	2q5kB-4jgaA: undetectable	2q5kB-4jgaA: 11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4jyj	ENOYL-COA HYDRATASE/ISOMERASE (Novosphingobium aromaticivorans)	PF00378 (ECH_1)	5	ALA A 120 ASP A 121 GLY A 54 ILE A 19 VAL A 105	None	0.90A	2q5kB-4jyjA: undetectable	2q5kB-4jyjA: 18.95
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.	4kpu	ELECTRON TRANSFER FLAVOPROTEIN ALPHA/BETA-SUBUNIT (Acidaminococcus fermentans)	PF01012 (ETF)	5	GLY B 77 ALA B 78 ASP B 79 VAL B 5 ILE B 3	None	0.94A	2q5kB-4kpuB: undetectable	2q5kB-4kpuB: 15.59
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.	4kri	PHOSPHOLETHANOLAMINE N-METHYLTRANSFERASE 2 (Haemonchus contortus)	PF08241 (Methyltransf_11)	5	GLY A 234 ASP A 268 VAL A 263 GLY A 248 VAL A 258	None	0.93A	2q5kB-4kriA: undetectable	2q5kB-4kriA: 13.61
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)	5	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 30	RIT A 500 (-3.2A) RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-4.8A)	0.59A	2q5kB-4njvA: 20.2	2q5kB-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)	10	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 47 GLY A 49 ILE A 50 PRO A 81	RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 ( 4.5A) RIT A 500 (-3.4A) RIT A 500 (-4.3A) RIT A 500 (-3.9A)	0.50A	2q5kB-4njvA: 20.2	2q5kB-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.	4o1e	DIHYDROPTEROATE SYNTHASE DHPS (Desulfitobacterium hafniense)	PF00809 (Pterin_bind)	5	ARG A 34 GLY A 39 ALA A 40 ASP A 41 ILE A 5	None	0.95A	2q5kB-4o1eA: undetectable	2q5kB-4o1eA: 17.82
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.	4pcg	VP1 (Human polyomavirus 6)	PF00718 (Polyoma_coat)	6	ALA A 194 ASP A 144 VAL A 182 GLY A 147 ILE A 148 PRO A 188	None	1.44A	2q5kB-4pcgA: undetectable	2q5kB-4pcgA: 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.	4pcg	VP1 (Human polyomavirus 6)	PF00718 (Polyoma_coat)	6	ALA A 194 ASP A 195 ASP A 144 VAL A 182 GLY A 147 PRO A 188	None	1.24A	2q5kB-4pcgA: undetectable	2q5kB-4pcgA: 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.	4pch	VP1 (Human polyomavirus 7)	PF00718 (Polyoma_coat)	6	ALA A 191 ASP A 192 ASP A 144 VAL A 179 GLY A 147 PRO A 185	None	1.25A	2q5kB-4pchA: undetectable	2q5kB-4pchA: 17.18
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.	4phq	HEMOLYSIN E, CHROMOSOMAL (Escherichia coli)	PF06109 (HlyE)	5	GLY A 22 ALA A 23 ILE A 247 ILE A 253 VAL A 119	None	0.86A	2q5kB-4phqA: undetectable	2q5kB-4phqA: 14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4tqk	LECTIN 2 (Agrocybe aegerita)	PF13517 (VCBS)	5	ASP A 345 GLY A 350 ASP A 290 VAL A 343 GLY A 371	None	0.92A	2q5kB-4tqkA: undetectable	2q5kB-4tqkA: 13.98
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.	4ur2	TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (Sulfurospirillum multivorans)	PF13484 (Fer4_16) PF13486 (Dehalogenase)	5	GLY A 155 ALA A 156 ASP A 157 VAL A 220 VAL A 309	None	0.91A	2q5kB-4ur2A: undetectable	2q5kB-4ur2A: 13.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4xvo	L,D-TRANSPEPTIDASE (Mycolicibacterium smegmatis)	PF03734 (YkuD)	5	ASP A 107 ALA A 91 ASP A 88 ILE A 84 PRO A 63	None	0.92A	2q5kB-4xvoA: undetectable	2q5kB-4xvoA: 17.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ydf	HTLV-1 PROTEASE (Primate T-lymphotropic virus 1)	PF00077 (RVP)	6	ARG A 10 ASP A 32 GLY A 34 ALA A 35 ASP A 36 VAL A 39	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) None	0.58A	2q5kB-4ydfA: 12.6	2q5kB-4ydfA: 31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ydf	HTLV-1 PROTEASE (Primate T-lymphotropic virus 1)	PF00077 (RVP)	6	ASP A 32 GLY A 34 ALA A 35 ASP A 36 VAL A 39 GLY A 58	4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) None 4B1 A 201 (-3.4A)	0.55A	2q5kB-4ydfA: 12.6	2q5kB-4ydfA: 31.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ywl	CELL DIVISION CONTROL PROTEIN 21 (Pyrococcus furiosus)	PF14551 (MCM_N) PF17207 (MCM_OB)	5	ARG A 94 VAL A 221 ILE A 187 GLY A 205 ILE A 206	None	0.88A	2q5kB-4ywlA: undetectable	2q5kB-4ywlA: 18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ywl	CELL DIVISION CONTROL PROTEIN 21 (Pyrococcus furiosus)	PF14551 (MCM_N) PF17207 (MCM_OB)	6	GLY A 225 VAL A 221 ILE A 187 GLY A 205 ILE A 206 VAL A 214	None	1.04A	2q5kB-4ywlA: undetectable	2q5kB-4ywlA: 18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ARG A 8 ALA A 28 ASP A 29 ASP A 30 PRO A 81	None	0.90A	2q5kB-5b18A: 18.0	2q5kB-5b18A: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ARG A 8 GLY A 27 ALA A 28 ASP A 29 ASP A 30	None	0.58A	2q5kB-5b18A: 18.0	2q5kB-5b18A: 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.	5dmp	UNCHARACTERIZED PROTEIN (Methanocella paludicola)	PF13298 (LigD_N)	5	GLY A 198 ASP A 192 GLY A 101 ILE A 93 VAL A 105	None	0.80A	2q5kB-5dmpA: undetectable	2q5kB-5dmpA: 21.76
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.	5inf	CARBOXYL TRANSFERASE (Streptomyces ambofaciens)	PF01039 (Carboxyl_trans)	5	GLY A 431 ALA A 432 ASP A 433 ILE A 410 ILE A 361	None	0.85A	2q5kB-5infA: undetectable	2q5kB-5infA: 11.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5k3w	CPUTA1 (Curtobacterium pusillum)	PF01063 (Aminotran_4)	5	GLY A 192 ALA A 193 ASP A 194 ASP A 195 ILE A 278	None	0.91A	2q5kB-5k3wA: undetectable	2q5kB-5k3wA: 19.31
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.	5n4l	CERULOPLASMIN (Rattus norvegicus)	no annotation	5	ALA A 102 VAL A 88 ILE A 78 GLY A 175 ILE A 174	None	0.87A	2q5kB-5n4lA: undetectable	2q5kB-5n4lA: 19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ovl	3-OXOACYL-[ACYL-CARR IER-PROTEIN] REDUCTASE FABG (Mycolicibacterium smegmatis)	no annotation	5	GLY A 123 ALA A 124 ILE A 146 GLY A 98 ILE A 99	None None NAP A1001 (-4.6A) NAP A1001 (-3.4A) NAP A1001 (-4.5A)	0.93A	2q5kB-5ovlA: undetectable	2q5kB-5ovlA: 18.18
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	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 50 PRO A 81	None	0.72A	2q5kB-5t2zA: 20.0	2q5kB-5t2zA: 78.79
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)	10	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 ILE A 47 GLY A 49 ILE A 50 PRO A 81	None	0.62A	2q5kB-5t2zA: 20.0	2q5kB-5t2zA: 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.	5ufm	METHYLTRANSFERASE DOMAIN PROTEIN (Burkholderia thailandensis)	no annotation	5	ASP A 95 GLY A 76 ASP A 72 VAL A 120 GLY A 136	SAH A 301 (-2.7A) SAH A 301 (-3.6A) None SAH A 301 (-4.1A) AZ8 A 302 ( 3.5A)	0.87A	2q5kB-5ufmA: undetectable	2q5kB-5ufmA: 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.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	ARG A 13 ASP A 30 GLY A 32 ALA A 33 ASP A 34 VAL A 99	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) None	0.64A	2q5kB-6fivA: 15.4	2q5kB-6fivA: 29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	5	ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58	3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) 3TL A 201 (-3.4A)	0.21A	2q5kB-6fivA: 15.4	2q5kB-6fivA: 29.57
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	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 PRO A 81	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None None	0.80A	2q5kB-6upjA: 18.2	2q5kB-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)	7	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 50 PRO A 81	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None NIU A 100 (-3.9A) None	0.90A	2q5kB-6upjA: 18.2	2q5kB-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)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 PRO A 81	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) None	0.81A	2q5kB-6upjA: 18.2	2q5kB-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)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 PRO A 81	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.77A	2q5kB-6upjA: 18.2	2q5kB-6upjA: 49.49

[["2Q5K_A_AB1A201_2","1bou","Sphingomonas paucimobilis","4,5-DIOXYGENASE BETA CHAIN","PF02900(LigB)",5,"GLY B 274;ALA B 275;ILE B   8;GLY B 189;VAL B 131","None","0.75A","2q5kB-1bouB:undetectable","2q5kB-1bouB:15.18"],["2Q5K_A_AB1A201_2","1dms","Rhodobacter capsulatus","DMSO REDUCTASE","PF00384(Molybdopterin);PF01568(Molydop_binding)",5,"GLY A 754;ASP A 441;GLY A 744;PRO A 398;VAL A 399","PGD A 782 (-3.8A);None;None;None;None","0.87A","2q5kB-1dmsA:undetectable","2q5kB-1dmsA:8.53"],["2Q5K_A_AB1A201_2","1e6v","Methanopyrus kandleri","METHYL-COENZYME M REDUCTASE I ALPHA SUBUNIT","PF02249(MCR_alpha);PF02745(MCR_alpha_N)",5,"ASP A 181;ASP A 180;ILE A 179;ILE A 187;VAL A 210","None","0.90A","2q5kB-1e6vA:undetectable","2q5kB-1e6vA:11.68"],["2Q5K_A_AB1A201_2","1fob","Aspergillus aculeatus","BETA-1,4-GALACTANASE","PF07745(Glyco_hydro_53)",6,"GLY A  40;ALA A  39;ASP A  38;VAL A 324;ILE A  35;ILE A  44","None","1.22A","2q5kB-1fobA:undetectable","2q5kB-1fobA:13.21"],["2Q5K_A_AB1A201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  47;GLY A  49;ILE A  50;PRO A  81;VAL A  82","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 ( 3.2A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 ( 3.9A);A79 A 800 (-4.5A)","0.78A","2q5kB-1hvcA:13.9","2q5kB-1hvcA:48.28"],["2Q5K_A_AB1A201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  47;GLY A  49;ILE A  50;PRO A  81;VAL A  82","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 ( 4.0A);A79 A 800 ( 3.4A);A79 A 800 (-4.5A)","0.66A","2q5kB-1hvcA:13.9","2q5kB-1hvcA:48.28"],["2Q5K_A_AB1A201_2","1p2f","Thermotoga maritima","RESPONSE REGULATOR","PF00072(Response_reg);PF00486(Trans_reg_C)",5,"GLY A  93;ALA A  94;ASP A  95;ILE A  75;ILE A  61","None","0.84A","2q5kB-1p2fA:undetectable","2q5kB-1p2fA:16.96"],["2Q5K_A_AB1A201_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;VAL A  32","None","0.53A","2q5kB-1q9pA:10.2","2q5kB-1q9pA:92.63"],["2Q5K_A_AB1A201_2","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;PRO A  81","None","0.78A","2q5kB-1q9pA:10.2","2q5kB-1q9pA:92.63"],["2Q5K_A_AB1A201_2","1rjw","Geobacillus stearothermophilus","ALCOHOL DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",6,"GLY A  36;ALA A 144;ILE A 134;GLY A  84;ILE A  85;VAL A 151","None","1.45A","2q5kB-1rjwA:undetectable","2q5kB-1rjwA:18.75"],["2Q5K_A_AB1A201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"ARG A   8;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","0.81A","2q5kB-1sivA:18.9","2q5kB-1sivA:50.51"],["2Q5K_A_AB1A201_2","1vrg","Thermotoga maritima","PROPIONYL-COA CARBOXYLASE, BETA SUBUNIT","PF01039(Carboxyl_trans)",6,"GLY A 416;ALA A 417;ASP A 418;ILE A 395;ILE A 346;VAL A 360","None","1.13A","2q5kB-1vrgA:undetectable","2q5kB-1vrgA:12.42"],["2Q5K_A_AB1A201_2","1x0u","Sulfurisphaera tokodaii","HYPOTHETICAL METHYLMALONYL-COA DECARBOXYLASE ALPHA SUBUNIT","PF01039(Carboxyl_trans)",5,"GLY A 424;ALA A 425;ASP A 426;ILE A 403;ILE A 354","None","0.87A","2q5kB-1x0uA:undetectable","2q5kB-1x0uA:11.84"],["2Q5K_A_AB1A201_2","1xa0","Geobacillus stearothermophilus","PUTATIVE NADPH DEPENDENT OXIDOREDUCTASES","PF00107(ADH_zinc_N)",5,"GLY A 131;ALA A 130;ILE A  66;ILE A  87;VAL A 324","None;SO4 A 329 ( 4.2A);None;None;None","0.88A","2q5kB-1xa0A:undetectable","2q5kB-1xa0A:16.35"],["2Q5K_A_AB1A201_2","1xqi","Pyrobaculum aerophilum","NUCLEOSIDE DIPHOSPHATE KINASE","PF00334(NDK)",6,"ARG A 165;ASP A  25;ALA A  26;VAL A 171;ILE A 148;ILE A 154","None","1.43A","2q5kB-1xqiA:undetectable","2q5kB-1xqiA:22.34"],["2Q5K_A_AB1A201_2","1yr2","Novosphingobium capsulatum","PROLYL OLIGOPEPTIDASE","PF00326(Peptidase_S9);PF02897(Peptidase_S9_N)",6,"GLY A 539;ALA A 538;ASP A 537;GLY A 529;PRO A 475;VAL A 474","None","1.10A","2q5kB-1yr2A:undetectable","2q5kB-1yr2A:9.02"],["2Q5K_A_AB1A201_2","1yw6","Escherichia coli","SUCCINYLGLUTAMATE DESUCCINYLASE","PF04952(AstE_AspA)",5,"ARG A 250;GLY A 180;ALA A 179;GLY A 242;ILE A 243","None","0.85A","2q5kB-1yw6A:undetectable","2q5kB-1yw6A:17.59"],["2Q5K_A_AB1A201_2","1yy3","Bacillus subtilis","S-ADENOSYLMETHIONINE:TRNA RIBOSYLTRANSFERASE-ISOMERASE","PF02547(Queuosine_synth)",5,"ASP A  54;VAL A  57;ILE A 249;GLY A 293;ILE A 341","None","0.91A","2q5kB-1yy3A:undetectable","2q5kB-1yy3A:14.49"],["2Q5K_A_AB1A201_2","2bkl","Myxococcus xanthus","PROLYL ENDOPEPTIDASE","PF00326(Peptidase_S9);PF02897(Peptidase_S9_N)",6,"GLY A 497;ALA A 496;ASP A 495;GLY A 487;PRO A 431;VAL A 430","None","1.10A","2q5kB-2bklA:undetectable","2q5kB-2bklA:10.04"],["2Q5K_A_AB1A201_2","2czd","Pyrococcus horikoshii","OROTIDINE 5'-PHOSPHATE DECARBOXYLASE","PF00215(OMPdecase)",5,"GLY A  78;ALA A  79;ASP A  80;ILE A  55;ILE A  42","None","0.94A","2q5kB-2czdA:undetectable","2q5kB-2czdA:20.10"],["2Q5K_A_AB1A201_2","2eja","Aquifex aeolicus","UROPORPHYRINOGEN DECARBOXYLASE","PF01208(URO-D)",5,"GLY A 192;ALA A 193;ASP A 194;ILE A 134;ILE A 120","None","0.81A","2q5kB-2ejaA:undetectable","2q5kB-2ejaA:13.17"],["2Q5K_A_AB1A201_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",7,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  53;PRO A  86","LP1 A 201 (-3.5A);LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);LP1 A 201 (-4.6A);LP1 A 201 (-3.9A)","0.55A","2q5kB-2fmbA:14.9","2q5kB-2fmbA:33.65"],["2Q5K_A_AB1A201_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;ILE A  53;GLY A  55;PRO A  86;VAL A  87","LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);None;LP1 A 201 (-4.6A);LP1 A 201 (-3.4A);LP1 A 201 (-3.9A);LP1 A 201 ( 4.9A)","0.62A","2q5kB-2fmbA:14.9","2q5kB-2fmbA:33.65"],["2Q5K_A_AB1A201_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",5,"GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  54","LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);None;LP1 A 201 (-3.6A)","0.92A","2q5kB-2fmbA:14.9","2q5kB-2fmbA:33.65"],["2Q5K_A_AB1A201_2","2isq","Arabidopsis thaliana","CYSTEINE SYNTHASE","PF00291(PALP)",5,"GLY A 190;ALA A 189;GLY A 183;ILE A 180;PRO A 296","None;None;PLP A 400 (-3.4A);PLP A 400 (-4.9A);PLP A 400 (-4.0A)","0.88A","2q5kB-2isqA:undetectable","2q5kB-2isqA:16.88"],["2Q5K_A_AB1A201_2","2qjg","Methanocaldococcus jannaschii","PUTATIVE ALDOLASE MJ0400","PF01791(DeoC)",5,"GLY A 179;ALA A 180;ASP A 181;ILE A 149;VAL A 120","None","0.91A","2q5kB-2qjgA:undetectable","2q5kB-2qjgA:15.38"],["2Q5K_A_AB1A201_2","2qma","Vibrio parahaemolyticus","DIAMINOBUTYRATE-PYRUVATE TRANSAMINASE AND L-2,4-DIAMINOBUTYRATE DECARBOXYLASE","PF00282(Pyridoxal_deC)",5,"GLY A 728;ALA A 727;ASP A 755;VAL A 774;ILE A 780","None","0.88A","2q5kB-2qmaA:undetectable","2q5kB-2qmaA:10.64"],["2Q5K_A_AB1A201_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",8,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;PRO A  81","AB1 A 501 ( 4.7A);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 (-4.2A)","0.68A","2q5kB-2rkfA:20.5","2q5kB-2rkfA:82.83"],["2Q5K_A_AB1A201_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",8,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;PRO A  81","AB1 A 501 ( 4.7A);AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 (-4.2A)","0.55A","2q5kB-2rkfA:20.5","2q5kB-2rkfA:82.83"],["2Q5K_A_AB1A201_2","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",5,"ARG A  10;ASP A  37;GLY A  39;ALA A  40;ASP A  41","None","0.84A","2q5kB-2rspA:12.8","2q5kB-2rspA:32.80"],["2Q5K_A_AB1A201_2","3aqp","Thermus thermophilus","PROBABLE SECDF PROTEIN-EXPORT MEMBRANE PROTEIN","PF02355(SecD_SecF);PF07549(Sec_GG)",5,"GLY A 327;ALA A 329;GLY A 274;ILE A 271;VAL A 693","None","0.88A","2q5kB-3aqpA:undetectable","2q5kB-3aqpA:8.86"],["2Q5K_A_AB1A201_2","3c8l","Nostoc punctiforme","FTSZ-LIKE PROTEIN OF UNKNOWN FUNCTION","PF09585(Lin0512_fam)",6,"GLY A  11;ALA A 112;VAL A  85;GLY A  89;ILE A 109;PRO A  21","None","1.39A","2q5kB-3c8lA:undetectable","2q5kB-3c8lA:23.02"],["2Q5K_A_AB1A201_2","3cu2","Histophilus somni","RIBULOSE-5-PHOSPHATE 3-EPIMERASE","PF00834(Ribul_P_3_epim)",6,"GLY A  91;ALA A  92;ASP A  72;GLY A  61;ILE A  60;VAL A  83","None","1.47A","2q5kB-3cu2A:undetectable","2q5kB-3cu2A:19.13"],["2Q5K_A_AB1A201_2","3dlc","Methanococcus maripaludis","PUTATIVE S-ADENOSYL-L-METHIONINE-DEPENDENT METHYLTRANSFERASE","PF08241(Methyltransf_11)",5,"ASP A  72;GLY A  52;ASP A  48;VAL A 101;GLY A 118","SAM A 220 (-2.9A);SAM A 220 (-3.2A);SAM A 220 ( 4.9A);SAM A 220 ( 4.2A);SAM A 220 (-4.7A)","0.94A","2q5kB-3dlcA:undetectable","2q5kB-3dlcA:18.35"],["2Q5K_A_AB1A201_2","3fs2","Brucella melitensis","2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE","PF00793(DAHP_synth_1)",5,"GLY A  75;ASP A  61;ILE A  98;PRO A 109;VAL A 110","None","0.92A","2q5kB-3fs2A:undetectable","2q5kB-3fs2A:14.38"],["2Q5K_A_AB1A201_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","0.87A","2q5kB-3i5gA:undetectable","2q5kB-3i5gA:8.34"],["2Q5K_A_AB1A201_2","3iay","Saccharomyces cerevisiae","DNA POLYMERASE DELTA CATALYTIC SUBUNIT","PF00136(DNA_pol_B);PF03104(DNA_pol_B_exo1)",5,"ASP A 976;GLY A 975;ALA A 971;ILE A 811;GLY A 598","None","0.95A","2q5kB-3iayA:undetectable","2q5kB-3iayA:7.72"],["2Q5K_A_AB1A201_2","3igs","Salmonella enterica","N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE 2","PF04131(NanE)",5,"GLY A 146;ALA A 147;ASP A 148;VAL A 104;ILE A 122","None","0.86A","2q5kB-3igsA:undetectable","2q5kB-3igsA:15.04"],["2Q5K_A_AB1A201_2","3kci","Homo sapiens","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","PF00415(RCC1)",5,"GLY A4099;ALA A4098;VAL A4042;ILE A3991;GLY A3993","None","0.82A","2q5kB-3kciA:undetectable","2q5kB-3kciA:12.47"],["2Q5K_A_AB1A201_2","3kf3","Schwanniomyces occidentalis","INVERTASE","PF00251(Glyco_hydro_32N);PF08244(Glyco_hydro_32C)",5,"ASP A 287;GLY A 289;ASP A 291;ILE A 485;PRO A 355","None;None;None;None;NAG A5001 ( 4.9A)","0.88A","2q5kB-3kf3A:undetectable","2q5kB-3kf3A:12.63"],["2Q5K_A_AB1A201_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",12,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  47;GLY A  49;ILE A  50;PRO A  81;VAL A  82","None","0.42A","2q5kB-3mwsA:20.1","2q5kB-3mwsA:77.78"],["2Q5K_A_AB1A201_2","3nns","Thermotoga maritima","DNA BINDING RESPONSE REGULATOR B","PF00072(Response_reg)",5,"GLY A  93;ALA A  94;ASP A  95;ILE A  75;ILE A  61","None","0.84A","2q5kB-3nnsA:undetectable","2q5kB-3nnsA:22.13"],["2Q5K_A_AB1A201_2","3o21","Rattus norvegicus","GLUTAMATE RECEPTOR 3","PF01094(ANF_receptor)",5,"GLY A 119;ALA A 120;VAL A 357;PRO A 379;VAL A 378","None","0.93A","2q5kB-3o21A:undetectable","2q5kB-3o21A:15.79"],["2Q5K_A_AB1A201_2","3pqs","Actinobacillus pleuropneumoniae","TRANSFERRIN-BINDING PROTEIN","PF01298(TbpB_B_D);PF17483(TbpB_C);PF17484(TbpB_A)",5,"GLY A 463;ALA A 454;VAL A 429;ILE A 456;GLY A 460","None","0.92A","2q5kB-3pqsA:undetectable","2q5kB-3pqsA:11.59"],["2Q5K_A_AB1A201_2","3qe7","Escherichia coli","URACIL PERMEASE","PF00860(Xan_ur_permease)",5,"GLY A  93;ALA A  90;GLY A 281;PRO A  36;VAL A  35","None","0.95A","2q5kB-3qe7A:undetectable","2q5kB-3qe7A:13.79"],["2Q5K_A_AB1A201_2","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"ASP A  32;GLY A  34;ALA A  35;VAL A  39;GLY A  56","3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);None;3TL A 126 (-3.4A)","0.55A","2q5kB-3slzA:11.3","2q5kB-3slzA:26.67"],["2Q5K_A_AB1A201_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)","0.75A","2q5kB-3slzA:11.3","2q5kB-3slzA:26.67"],["2Q5K_A_AB1A201_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;ILE A  47;GLY A  49;ILE A  50","SO4 A 101 (-3.8A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);None;None;017 A 201 (-4.0A);017 A 201 (-3.3A)","0.85A","2q5kB-3t3cA:18.4","2q5kB-3t3cA:77.78"],["2Q5K_A_AB1A201_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ARG A   8;GLY A  27;ALA A  28;ASP A  29;VAL A  32;ILE A  47;GLY A  49;ILE A  50;PRO A  81","SO4 A 101 (-3.8A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);None;None;017 A 201 (-4.0A);017 A 201 (-3.3A);None","1.10A","2q5kB-3t3cA:18.4","2q5kB-3t3cA:77.78"],["2Q5K_A_AB1A201_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  47","017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);None;None","0.79A","2q5kB-3t3cA:18.4","2q5kB-3t3cA:77.78"],["2Q5K_A_AB1A201_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  47;PRO A  81","017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);None;None;None","0.98A","2q5kB-3t3cA:18.4","2q5kB-3t3cA:77.78"],["2Q5K_A_AB1A201_2","3t44","Mycobacterium tuberculosis","INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE","PF00218(IGPS)",5,"GLY A 235;ALA A 236;ASP A 237;ILE A 217;ILE A 206","None","0.81A","2q5kB-3t44A:undetectable","2q5kB-3t44A:15.24"],["2Q5K_A_AB1A201_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81","017 A 201 ( 4.8A);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)","0.54A","2q5kB-3ttpA:19.6","2q5kB-3ttpA:79.80"],["2Q5K_A_AB1A201_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  47;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 (-3.6A);017 A 202 (-4.0A)","0.68A","2q5kB-3u7sA:19.8","2q5kB-3u7sA:78.79"],["2Q5K_A_AB1A201_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  47;GLY A  49;ILE A  50;PRO A  81","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 202 (-3.6A);017 A 202 (-2.9A);017 A 201 ( 3.5A);017 A 202 (-4.0A)","0.77A","2q5kB-3u7sA:19.8","2q5kB-3u7sA:78.79"],["2Q5K_A_AB1A201_2","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;PRO A  81;VAL A  82","None","0.63A","2q5kB-3uhlA:16.1","2q5kB-3uhlA:78.79"],["2Q5K_A_AB1A201_2","3zwf","Homo sapiens","ZINC PHOSPHODIESTERASE ELAC PROTEIN 1","PF00753(Lactamase_B);PF12706(Lactamase_B_2)",5,"GLY A 188;ALA A 177;ILE A 156;GLY A  95;ILE A  60","None","0.89A","2q5kB-3zwfA:undetectable","2q5kB-3zwfA:14.93"],["2Q5K_A_AB1A201_2","3zyy","Carboxydothermus hydrogenoformans","IRON-SULFUR CLUSTER BINDING PROTEIN","PF00111(Fer2);PF14574(DUF4445)",5,"GLY X 577;ALA X 578;ILE X 345;GLY X 355;ILE X 357","None","0.88A","2q5kB-3zyyX:undetectable","2q5kB-3zyyX:10.41"],["2Q5K_A_AB1A201_2","4b2o","Bacillus subtilis","YMDB PHOSPHODIESTERASE","PF13277(YmdB)",5,"GLY A  59;ALA A  60;ASP A  61;ILE A  35;VAL A   9","None","0.79A","2q5kB-4b2oA:undetectable","2q5kB-4b2oA:16.54"],["2Q5K_A_AB1A201_2","4c3y","Rhodococcus erythropolis","3-KETOSTEROID DEHYDROGENASE","PF00890(FAD_binding_2)",6,"GLY A 459;ALA A 504;ASP A 507;VAL A  10;GLY A 471;ILE A 469","None","1.43A","2q5kB-4c3yA:undetectable","2q5kB-4c3yA:12.43"],["2Q5K_A_AB1A201_2","4dzh","Xanthomonas campestris","AMIDOHYDROLASE","PF01979(Amidohydro_1)",5,"ALA A 355;ILE A  25;GLY A 370;ILE A 369;VAL A 381","None","0.95A","2q5kB-4dzhA:undetectable","2q5kB-4dzhA:12.58"],["2Q5K_A_AB1A201_2","4ex6","Streptomyces sp. CM020","ALNB","PF13419(HAD_2)",6,"GLY A 207;ALA A 208;ASP A 209;VAL A 212;ILE A 191;GLY A 174","None","1.48A","2q5kB-4ex6A:undetectable","2q5kB-4ex6A:19.35"],["2Q5K_A_AB1A201_2","4fi4","Caulobacter sp. K31","MANDELATE RACEMASE\/MUCONATE LACTONIZING PROTEIN","PF02746(MR_MLE_N);PF13378(MR_MLE_C)",5,"GLY A  33;ALA A  89;GLY A 292;ILE A 293;VAL A  67","None","0.95A","2q5kB-4fi4A:undetectable","2q5kB-4fi4A:12.47"],["2Q5K_A_AB1A201_2","4ict","Mycobacterium tuberculosis","CYTOCHROME P450 121","PF00067(p450)",5,"ARG A 184;GLY A 191;ALA A 190;ASP A 220;GLY A 227","None","0.75A","2q5kB-4ictA:undetectable","2q5kB-4ictA:17.20"],["2Q5K_A_AB1A201_2","4ilk","Escherichia coli","STARVATION SENSING PROTEIN RSPB","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 206;ALA A 207;ASP A 208;ILE A 190;ILE A 176","None","0.80A","2q5kB-4ilkA:undetectable","2q5kB-4ilkA:14.91"],["2Q5K_A_AB1A201_2","4j5u","Rickettsia rickettsii","SERINE HYDROXYMETHYLTRANSFERASE","PF00464(SHMT)",5,"ALA A 173;ASP A 201;VAL A 224;ILE A 202;PRO A 219","None;LLP A 230 ( 2.9A);None;None;None","0.81A","2q5kB-4j5uA:undetectable","2q5kB-4j5uA:13.81"],["2Q5K_A_AB1A201_2","4jga","Rickettsia rickettsii","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C)",5,"GLY A 276;ALA A 301;ASP A 304;ILE A 273;ILE A 184","None","0.90A","2q5kB-4jgaA:undetectable","2q5kB-4jgaA:11.90"],["2Q5K_A_AB1A201_2","4jyj","Novosphingobium aromaticivorans","ENOYL-COA HYDRATASE\/ISOMERASE","PF00378(ECH_1)",5,"ALA A 120;ASP A 121;GLY A  54;ILE A  19;VAL A 105","None","0.90A","2q5kB-4jyjA:undetectable","2q5kB-4jyjA:18.95"],["2Q5K_A_AB1A201_2","4kpu","Acidaminococcus fermentans","ELECTRON TRANSFER FLAVOPROTEIN ALPHA\/BETA-SUBUNIT","PF01012(ETF)",5,"GLY B  77;ALA B  78;ASP B  79;VAL B   5;ILE B   3","None","0.94A","2q5kB-4kpuB:undetectable","2q5kB-4kpuB:15.59"],["2Q5K_A_AB1A201_2","4kri","Haemonchus contortus","PHOSPHOLETHANOLAMINE N-METHYLTRANSFERASE 2","PF08241(Methyltransf_11)",5,"GLY A 234;ASP A 268;VAL A 263;GLY A 248;VAL A 258","None","0.93A","2q5kB-4kriA:undetectable","2q5kB-4kriA:13.61"],["2Q5K_A_AB1A201_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  30","RIT A 500 (-3.2A);RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-4.8A)","0.59A","2q5kB-4njvA:20.2","2q5kB-4njvA:85.86"],["2Q5K_A_AB1A201_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  47;GLY A  49;ILE A  50;PRO A  81","RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 ( 4.5A);RIT A 500 (-3.4A);RIT A 500 (-4.3A);RIT A 500 (-3.9A)","0.50A","2q5kB-4njvA:20.2","2q5kB-4njvA:85.86"],["2Q5K_A_AB1A201_2","4o1e","Desulfitobacterium hafniense","DIHYDROPTEROATE SYNTHASE DHPS","PF00809(Pterin_bind)",5,"ARG A  34;GLY A  39;ALA A  40;ASP A  41;ILE A   5","None","0.95A","2q5kB-4o1eA:undetectable","2q5kB-4o1eA:17.82"],["2Q5K_A_AB1A201_2","4pcg","Human polyomavirus 6","VP1","PF00718(Polyoma_coat)",6,"ALA A 194;ASP A 144;VAL A 182;GLY A 147;ILE A 148;PRO A 188","None","1.44A","2q5kB-4pcgA:undetectable","2q5kB-4pcgA:16.67"],["2Q5K_A_AB1A201_2","4pcg","Human polyomavirus 6","VP1","PF00718(Polyoma_coat)",6,"ALA A 194;ASP A 195;ASP A 144;VAL A 182;GLY A 147;PRO A 188","None","1.24A","2q5kB-4pcgA:undetectable","2q5kB-4pcgA:16.67"],["2Q5K_A_AB1A201_2","4pch","Human polyomavirus 7","VP1","PF00718(Polyoma_coat)",6,"ALA A 191;ASP A 192;ASP A 144;VAL A 179;GLY A 147;PRO A 185","None","1.25A","2q5kB-4pchA:undetectable","2q5kB-4pchA:17.18"],["2Q5K_A_AB1A201_2","4phq","Escherichia coli","HEMOLYSIN E, CHROMOSOMAL","PF06109(HlyE)",5,"GLY A  22;ALA A  23;ILE A 247;ILE A 253;VAL A 119","None","0.86A","2q5kB-4phqA:undetectable","2q5kB-4phqA:14.38"],["2Q5K_A_AB1A201_2","4tqk","Agrocybe aegerita","LECTIN 2","PF13517(VCBS)",5,"ASP A 345;GLY A 350;ASP A 290;VAL A 343;GLY A 371","None","0.92A","2q5kB-4tqkA:undetectable","2q5kB-4tqkA:13.98"],["2Q5K_A_AB1A201_2","4ur2","Sulfurospirillum multivorans","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA","PF13484(Fer4_16);PF13486(Dehalogenase)",5,"GLY A 155;ALA A 156;ASP A 157;VAL A 220;VAL A 309","None","0.91A","2q5kB-4ur2A:undetectable","2q5kB-4ur2A:13.07"],["2Q5K_A_AB1A201_2","4xvo","Mycolicibacterium smegmatis","L,D-TRANSPEPTIDASE","PF03734(YkuD)",5,"ASP A 107;ALA A  91;ASP A  88;ILE A  84;PRO A  63","None","0.92A","2q5kB-4xvoA:undetectable","2q5kB-4xvoA:17.76"],["2Q5K_A_AB1A201_2","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",6,"ARG A  10;ASP A  32;GLY A  34;ALA A  35;ASP A  36;VAL A  39","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);None","0.58A","2q5kB-4ydfA:12.6","2q5kB-4ydfA:31.62"],["2Q5K_A_AB1A201_2","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",6,"ASP A  32;GLY A  34;ALA A  35;ASP A  36;VAL A  39;GLY A  58","4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);None;4B1 A 201 (-3.4A)","0.55A","2q5kB-4ydfA:12.6","2q5kB-4ydfA:31.62"],["2Q5K_A_AB1A201_2","4ywl","Pyrococcus furiosus","CELL DIVISION CONTROL PROTEIN 21","PF14551(MCM_N);PF17207(MCM_OB)",5,"ARG A  94;VAL A 221;ILE A 187;GLY A 205;ILE A 206","None","0.88A","2q5kB-4ywlA:undetectable","2q5kB-4ywlA:18.26"],["2Q5K_A_AB1A201_2","4ywl","Pyrococcus furiosus","CELL DIVISION CONTROL PROTEIN 21","PF14551(MCM_N);PF17207(MCM_OB)",6,"GLY A 225;VAL A 221;ILE A 187;GLY A 205;ILE A 206;VAL A 214","None","1.04A","2q5kB-4ywlA:undetectable","2q5kB-4ywlA:18.26"],["2Q5K_A_AB1A201_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"ARG A   8;ALA A  28;ASP A  29;ASP A  30;PRO A  81","None","0.90A","2q5kB-5b18A:18.0","2q5kB-5b18A:75.76"],["2Q5K_A_AB1A201_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"ARG A   8;GLY A  27;ALA A  28;ASP A  29;ASP A  30","None","0.58A","2q5kB-5b18A:18.0","2q5kB-5b18A:75.76"],["2Q5K_A_AB1A201_2","5dmp","Methanocella paludicola","UNCHARACTERIZED PROTEIN","PF13298(LigD_N)",5,"GLY A 198;ASP A 192;GLY A 101;ILE A  93;VAL A 105","None","0.80A","2q5kB-5dmpA:undetectable","2q5kB-5dmpA:21.76"],["2Q5K_A_AB1A201_2","5inf","Streptomyces ambofaciens","CARBOXYL TRANSFERASE","PF01039(Carboxyl_trans)",5,"GLY A 431;ALA A 432;ASP A 433;ILE A 410;ILE A 361","None","0.85A","2q5kB-5infA:undetectable","2q5kB-5infA:11.92"],["2Q5K_A_AB1A201_2","5k3w","Curtobacterium pusillum","CPUTA1","PF01063(Aminotran_4)",5,"GLY A 192;ALA A 193;ASP A 194;ASP A 195;ILE A 278","None","0.91A","2q5kB-5k3wA:undetectable","2q5kB-5k3wA:19.31"],["2Q5K_A_AB1A201_2","5n4l","Rattus norvegicus","CERULOPLASMIN","no annotation",5,"ALA A 102;VAL A  88;ILE A  78;GLY A 175;ILE A 174","None","0.87A","2q5kB-5n4lA:undetectable","2q5kB-5n4lA:19.81"],["2Q5K_A_AB1A201_2","5ovl","Mycolicibacterium smegmatis","3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG","no annotation",5,"GLY A 123;ALA A 124;ILE A 146;GLY A  98;ILE A  99","None;None;NAP A1001 (-4.6A);NAP A1001 (-3.4A);NAP A1001 (-4.5A)","0.93A","2q5kB-5ovlA:undetectable","2q5kB-5ovlA:18.18"],["2Q5K_A_AB1A201_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  50;PRO A  81","None","0.72A","2q5kB-5t2zA:20.0","2q5kB-5t2zA:78.79"],["2Q5K_A_AB1A201_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;ILE A  47;GLY A  49;ILE A  50;PRO A  81","None","0.62A","2q5kB-5t2zA:20.0","2q5kB-5t2zA:78.79"],["2Q5K_A_AB1A201_2","5ufm","Burkholderia thailandensis","METHYLTRANSFERASE DOMAIN PROTEIN","no annotation",5,"ASP A  95;GLY A  76;ASP A  72;VAL A 120;GLY A 136","SAH A 301 (-2.7A);SAH A 301 (-3.6A);None;SAH A 301 (-4.1A);AZ8 A 302 ( 3.5A)","0.87A","2q5kB-5ufmA:undetectable","2q5kB-5ufmA:16.67"],["2Q5K_A_AB1A201_2","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"ARG A  13;ASP A  30;GLY A  32;ALA A  33;ASP A  34;VAL A  99","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);None","0.64A","2q5kB-6fivA:15.4","2q5kB-6fivA:29.57"],["2Q5K_A_AB1A201_2","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",5,"ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58","3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);3TL A 201 (-3.4A)","0.21A","2q5kB-6fivA:15.4","2q5kB-6fivA:29.57"],["2Q5K_A_AB1A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;None","0.80A","2q5kB-6upjA:18.2","2q5kB-6upjA:49.49"],["2Q5K_A_AB1A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  50;PRO A  81","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;NIU A 100 (-3.9A);None","0.90A","2q5kB-6upjA:18.2","2q5kB-6upjA:49.49"],["2Q5K_A_AB1A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;PRO A  81","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);None","0.81A","2q5kB-6upjA:18.2","2q5kB-6upjA:49.49"],["2Q5K_A_AB1A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;PRO A  81","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.77A","2q5kB-6upjA:18.2","2q5kB-6upjA:49.49"]]