SIMILAR PATTERNS OF AMINO ACIDS FOR 2AVS_B_MK1B902_1

List of similar pattern of amino acids derived from ASSAM search

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

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

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	Hit	Macromolecule/ Organism	Pfam	Res.	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1b3n	PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2) (Escherichia coli)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C)	5	ASP A 233 GLY A 232 ILE A 108 GLY A 198 VAL A 199	None None CER A 413 (-3.3A) CER A 413 (-3.4A) None	0.84A	2avsA-1b3nA: undetectable	2avsA-1b3nA: 14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	ASP E 215 GLY E 217 VAL E 222 GLY E 76 ILE E 300	None	0.68A	2avsA-1cziE: 6.9	2avsA-1cziE: 17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	LEU E 30 ASP E 32 GLY E 34 ASP E 37 ILE E 120	None	0.49A	2avsA-1cziE: 6.9	2avsA-1cziE: 17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1fsu	N-ACETYLGALACTOSAMIN E-4-SULFATASE (Homo sapiens)	PF00884 (Sulfatase)	5	GLY A 268 ALA A 267 GLY A 309 GLY A 308 ILE A 258	None	0.68A	2avsA-1fsuA: undetectable	2avsA-1fsuA: 13.70
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 48 GLY A 49	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 (-3.6A) A79 A 800 ( 3.7A)	1.30A	2avsA-1hvcA: 14.1	2avsA-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 48 GLY A 49	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-4.1A) A79 A 800 (-3.4A)	1.32A	2avsA-1hvcA: 14.1	2avsA-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)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 VAL A 32 ILE A 47 GLY A 48 GLY A 49 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 ( 4.9A) A79 A 800 ( 4.4A) A79 A 800 ( 3.2A) A79 A 800 (-3.6A) A79 A 800 ( 3.7A) A79 A 800 (-3.6A)	0.34A	2avsA-1hvcA: 14.1	2avsA-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)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 VAL A 32 ILE A 47 GLY A 48 GLY A 49 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 ( 4.7A) A79 A 800 ( 4.3A) A79 A 800 ( 3.4A) A79 A 800 (-4.1A) A79 A 800 (-3.4A) A79 A 800 (-3.8A)	0.36A	2avsA-1hvcA: 14.1	2avsA-1hvcA: 46.31
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 ILE A 84	None	0.43A	2avsA-1q9pA: 10.1	2avsA-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.	1s4f	RNA-DEPENDENT RNA POLYMERASE (Pestivirus A)	PF00998 (RdRP_3)	5	LEU A 669 GLY A 666 ALA A 590 ILE A 595 GLY A 596	None	0.66A	2avsA-1s4fA: undetectable	2avsA-1s4fA: 11.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	7	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 48 GLY A 49	None	1.44A	2avsA-1sivA: 18.6	2avsA-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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 GLY A 48 GLY A 49 ILE A 84	None	0.48A	2avsA-1sivA: 18.6	2avsA-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.	1uz5	402AA LONG HYPOTHETICAL MOLYBDOPTERIN BIOSYNTHESIS MOEA PROTEIN (Pyrococcus horikoshii)	PF00994 (MoCF_biosynth) PF03453 (MoeA_N) PF03454 (MoeA_C)	5	ASP A 206 GLY A 209 GLY A 255 GLY A 302 ILE A 192	None	0.84A	2avsA-1uz5A: undetectable	2avsA-1uz5A: 12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1v5f	PYRUVATE OXIDASE (Aerococcus viridans)	PF00205 (TPP_enzyme_M) PF02775 (TPP_enzyme_C) PF02776 (TPP_enzyme_N)	5	ASP A 388 ALA A 444 ASP A 442 VAL A 466 ILE A 440	None TPP A1602 (-3.7A) MG A1603 ( 2.8A) None None	0.87A	2avsA-1v5fA: undetectable	2avsA-1v5fA: 10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1vcg	ISOPENTENYL-DIPHOSPH ATE DELTA-ISOMERASE (Thermus thermophilus)	PF01070 (FMN_dh)	5	ASP A 210 ALA A 212 GLY A 216 GLY A 264 VAL A 265	None FMN A 501 ( 3.8A) FMN A 501 ( 4.0A) FMN A 501 (-4.3A) None	0.89A	2avsA-1vcgA: undetectable	2avsA-1vcgA: 14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1vlj	NADH-DEPENDENT BUTANOL DEHYDROGENASE (Thermotoga maritima)	PF00465 (Fe-ADH)	5	GLY A 41 ILE A 140 GLY A 98 GLY A 97 VAL A 96	NAP A 800 (-4.1A) NAP A 800 (-3.8A) NAP A 800 (-3.2A) None None	0.87A	2avsA-1vljA: undetectable	2avsA-1vljA: 13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1xru	4-DEOXY-L-THREO-5-HE XOSULOSE-URONATE KETOL-ISOMERASE (Escherichia coli)	PF04962 (KduI)	6	GLY A 79 VAL A 59 ILE A 50 GLY A 49 GLY A 48 VAL A 47	None	1.07A	2avsA-1xruA: undetectable	2avsA-1xruA: 13.43
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.	1y56	HYPOTHETICAL PROTEIN PH1363 (Pyrococcus horikoshii)	PF07992 (Pyr_redox_2) PF13510 (Fer2_4)	5	ALA A 476 ILE A 316 GLY A 321 GLY A 320 ILE A 480	None	0.82A	2avsA-1y56A: undetectable	2avsA-1y56A: 12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1yp4	GLUCOSE-1-PHOSPHATE ADENYLYLTRANSFERASE SMALL SUBUNIT (Solanum tuberosum)	PF00483 (NTP_transferase)	5	GLY A 358 ALA A 359 ILE A 408 GLY A 409 ILE A 355	None	0.77A	2avsA-1yp4A: undetectable	2avsA-1yp4A: 12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1zap	SECRETED ASPARTIC PROTEINASE (Candida albicans)	PF00026 (Asp)	5	ASP A 32 GLY A 34 ASP A 37 GLY A 83 ILE A 123	A70 A 500 ( 2.7A) A70 A 500 (-3.8A) None None A70 A 500 (-4.8A)	0.63A	2avsA-1zapA: 7.5	2avsA-1zapA: 16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1zo1	TRANSLATION INITIATION FACTOR 1 (Escherichia coli)	PF01176 (eIF-1a)	5	LEU W 26 GLY W 65 ALA W 34 VAL W 13 ILE W 47	None	0.88A	2avsA-1zo1W: undetectable	2avsA-1zo1W: 22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1zo1	TRANSLATION INITIATION FACTOR 1 (Escherichia coli)	PF01176 (eIF-1a)	5	LEU W 26 GLY W 65 ALA W 34 VAL W 13 VAL W 68	None	0.74A	2avsA-1zo1W: undetectable	2avsA-1zo1W: 22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2a5z	HYPOTHETICAL PROTEIN SO2946 (Shewanella oneidensis)	no annotation	5	ALA A 105 VAL A 122 ILE A 138 GLY A 139 ILE A 249	None	0.88A	2avsA-2a5zA: undetectable	2avsA-2a5zA: 16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2cjq	RNA-DIRECTED RNA POLYMERASE (Pestivirus A)	PF00998 (RdRP_3)	5	LEU A 669 GLY A 666 ALA A 590 ILE A 595 GLY A 596	None	0.74A	2avsA-2cjqA: undetectable	2avsA-2cjqA: 11.85
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.	2e9y	CARBAMATE KINASE (Aeropyrum pernix)	PF00696 (AA_kinase)	5	LEU A 178 ALA A 191 GLY A 195 GLY A 196 VAL A 197	None	0.85A	2avsA-2e9yA: undetectable	2avsA-2e9yA: 14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2eb0	MANGANESE-DEPENDENT INORGANIC PYROPHOSPHATASE (Methanocaldococcus jannaschii)	PF01368 (DHH) PF02833 (DHHA2)	5	ALA A 263 VAL A 297 ILE A 215 GLY A 216 VAL A 218	None	0.86A	2avsA-2eb0A: undetectable	2avsA-2eb0A: 16.44
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.	2ewn	BIRA BIFUNCTIONAL PROTEIN (Escherichia coli)	PF02237 (BPL_C) PF03099 (BPL_LplA_LipB) PF08279 (HTH_11)	5	ARG A 121 GLY A 206 VAL A 189 ILE A 153 GLY A 154	BTX A 501 (-4.1A) BTX A 501 (-3.5A) None None None	0.88A	2avsA-2ewnA: undetectable	2avsA-2ewnA: 19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	6	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ILE A 53 ILE A 89	LP1 A 201 (-3.5A) None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-4.6A) LP1 A 201 (-4.2A)	0.65A	2avsA-2fmbA: 15.0	2avsA-2fmbA: 34.91
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 VAL A 32 ILE A 53 GLY A 54 GLY A 55 VAL A 56 ILE A 89	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) None LP1 A 201 (-4.6A) LP1 A 201 (-3.6A) LP1 A 201 (-3.4A) LP1 A 201 ( 4.7A) LP1 A 201 (-4.2A)	0.55A	2avsA-2fmbA: 15.0	2avsA-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.	2h6e	D-ARABINOSE 1-DEHYDROGENASE (Sulfolobus solfataricus)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 269 VAL A 176 ILE A 179 GLY A 180 GLY A 181	None	0.89A	2avsA-2h6eA: undetectable	2avsA-2h6eA: 14.94
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.	2hqb	TRANSCRIPTIONAL ACTIVATOR OF COMK GENE (Bacillus halodurans)	PF02608 (Bmp)	6	ALA A 201 VAL A 190 ILE A 126 GLY A 124 VAL A 123 ILE A 194	None	1.34A	2avsA-2hqbA: undetectable	2avsA-2hqbA: 16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2q0l	THIOREDOXIN REDUCTASE (Helicobacter pylori)	PF07992 (Pyr_redox_2)	5	ALA A 5 VAL A 84 ILE A 108 GLY A 8 ILE A 93	None None None FAD A 400 (-3.2A) None	0.82A	2avsA-2q0lA: undetectable	2avsA-2q0lA: 15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2qpz	NAPHTHALENE 1,2-DIOXYGENASE SYSTEM FERREDOXIN SUBUNIT (Pseudomonas putida)	PF00355 (Rieske)	5	LEU A 102 ALA A 7 VAL A 91 ILE A 37 ILE A 100	None	0.84A	2avsA-2qpzA: undetectable	2avsA-2qpzA: 22.02
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.	2qzw	CANDIDAPEPSIN-1 (Candida albicans)	PF00026 (Asp)	5	ASP A 32 GLY A 34 ASP A 37 GLY A 83 ILE A 123	None	0.56A	2avsA-2qzwA: 7.8	2avsA-2qzwA: 14.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 GLY A 48 GLY A 49 ILE A 84	AB1 A 501 ( 4.7A) None AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 (-4.2A) AB1 A 501 (-3.5A) AB1 A 501 ( 4.2A)	0.49A	2avsA-2rkfA: 21.0	2avsA-2rkfA: 81.82
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	ARG A 10 LEU A 35 ASP A 37 GLY A 39 ALA A 40 ILE A 108	None	0.87A	2avsA-2rspA: 12.9	2avsA-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.	2uv8	FATTY ACID SYNTHASE SUBUNIT BETA (FAS1) (Saccharomyces cerevisiae)	PF00698 (Acyl_transf_1) PF01575 (MaoC_dehydratas) PF08354 (DUF1729) PF13452 (MaoC_dehydrat_N) PF16073 (SAT)	5	LEU G 679 GLY G 662 GLY G 623 GLY G 622 ILE G 649	None None None FMN G3051 ( 4.5A) None	0.89A	2avsA-2uv8G: undetectable	2avsA-2uv8G: 4.50
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.	2vca	ALPHA-N-ACETYLGLUCOS AMINIDASE (Clostridium perfringens)	PF00754 (F5_F8_type_C) PF05089 (NAGLU) PF12971 (NAGLU_N) PF12972 (NAGLU_C)	5	GLY A 32 VAL A 152 ILE A 132 GLY A 130 ILE A 29	None	0.81A	2avsA-2vcaA: undetectable	2avsA-2vcaA: 8.10
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.	2vdc	GLUTAMATE SYNTHASE [NADPH] LARGE CHAIN (Azospirillum brasilense)	PF00310 (GATase_2) PF01493 (GXGXG) PF01645 (Glu_synthase) PF04898 (Glu_syn_central)	5	LEU A1286 ALA A1272 ASP A1291 VAL A1307 GLY A1324	None	0.81A	2avsA-2vdcA: undetectable	2avsA-2vdcA: 6.45
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.	2yb6	UBIQUITIN-CONJUGATIN G ENZYME E2 B (Homo sapiens)	PF00179 (UQ_con)	5	GLY A 26 ALA A 38 VAL A 70 ILE A 109 ILE A 57	None	0.84A	2avsA-2yb6A: undetectable	2avsA-2yb6A: 19.75
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.	3cj8	2,3,4,5-TETRAHYDROPY RIDINE-2,6-DICARBOXY LATE N-ACETYLTRANSFERASE (Enterococcus faecalis)	PF00132 (Hexapep) PF08503 (DapH_N) PF14602 (Hexapep_2)	5	GLY A 112 ALA A 113 ILE A 145 GLY A 146 ILE A 109	None	0.83A	2avsA-3cj8A: undetectable	2avsA-3cj8A: 21.67
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.	3cj8	2,3,4,5-TETRAHYDROPY RIDINE-2,6-DICARBOXY LATE N-ACETYLTRANSFERASE (Enterococcus faecalis)	PF00132 (Hexapep) PF08503 (DapH_N) PF14602 (Hexapep_2)	5	GLY A 130 ALA A 131 ILE A 171 GLY A 172 ILE A 127	None	0.76A	2avsA-3cj8A: undetectable	2avsA-3cj8A: 21.67
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.	3dwb	ENDOTHELIN-CONVERTIN G ENZYME 1 (Homo sapiens)	PF01431 (Peptidase_M13) PF05649 (Peptidase_M13_N)	5	GLY A 674 ILE A 601 GLY A 600 GLY A 599 ILE A 471	None	0.73A	2avsA-3dwbA: undetectable	2avsA-3dwbA: 9.94
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.	3fbs	OXIDOREDUCTASE (Agrobacterium fabrum)	PF07992 (Pyr_redox_2)	5	GLY A 284 ALA A 17 ILE A 66 GLY A 22 ILE A 7	None	0.88A	2avsA-3fbsA: undetectable	2avsA-3fbsA: 17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3gh8	IODOTYROSINE DEHALOGENASE 1 (Mus musculus)	PF00881 (Nitroreductase)	5	LEU A 256 GLY A 218 ILE A 116 GLY A 120 ILE A 190	None	0.79A	2avsA-3gh8A: undetectable	2avsA-3gh8A: 20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3i3l	ALKYLHALIDASE CMLS (Streptomyces venezuelae)	PF04820 (Trp_halogenase)	5	GLY A 19 ALA A 18 GLY A 12 GLY A 11 ILE A 161	None None FAD A 600 (-3.6A) None None	0.83A	2avsA-3i3lA: undetectable	2avsA-3i3lA: 11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3ico	6-PHOSPHOGLUCONOLACT ONASE (Mycobacterium tuberculosis)	PF01182 (Glucosamine_iso)	5	LEU A 67 ALA A 36 VAL A 142 GLY A 24 ILE A 38	None	0.87A	2avsA-3icoA: undetectable	2avsA-3icoA: 16.79
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.	3j7a	40S RIBOSOMAL PROTEIN ES6 (Plasmodium falciparum)	PF01092 (Ribosomal_S6e)	5	LEU H 111 GLY H 55 ILE H 101 GLY H 103 ILE H 52	None G A 160 ( 3.9A) None None None	0.75A	2avsA-3j7aH: undetectable	2avsA-3j7aH: 16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	PF00415 (RCC1)	5	GLY A4099 ALA A4098 ILE A3991 GLY A3992 GLY A3993	None	0.77A	2avsA-3kciA: undetectable	2avsA-3kciA: 12.79
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.	3la4	UREASE (Canavalia ensiformis)	PF00449 (Urease_alpha) PF00547 (Urease_gamma) PF00699 (Urease_beta) PF01979 (Amidohydro_1)	5	ARG A 245 ALA A 228 ASP A 229 GLY A 224 VAL A 176	None	0.89A	2avsA-3la4A: undetectable	2avsA-3la4A: 8.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3lnp	AMIDOHYDROLASE FAMILY PROTEIN OLEI01672_1_465 (Oleispira antarctica)	PF01979 (Amidohydro_1)	5	GLY A 207 ILE A 55 GLY A 54 VAL A 430 ILE A 384	None	0.84A	2avsA-3lnpA: undetectable	2avsA-3lnpA: 13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3mqt	MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN (Shewanella pealeana)	PF02746 (MR_MLE_N) PF13378 (MR_MLE_C)	5	GLY A 41 ILE A 102 GLY A 287 GLY A 288 VAL A 289	None	0.87A	2avsA-3mqtA: undetectable	2avsA-3mqtA: 14.32
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	ARG A 8 LEU A 23 ALA A 28 ASP A 29 GLY A 48 GLY A 49	None	1.44A	2avsA-3mwsA: 19.6	2avsA-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)	9	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 VAL A 32 ILE A 47 ILE A 84	None	0.56A	2avsA-3mwsA: 19.6	2avsA-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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 VAL A 32 ILE A 47 GLY A 48 GLY A 49 ILE A 84	None	0.40A	2avsA-3mwsA: 19.6	2avsA-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.	3rko	NADH-QUINONE OXIDOREDUCTASE SUBUNIT M (Escherichia coli)	no annotation	5	LEU M 6 VAL M 127 GLY M 98 VAL M 99 ILE M 128	None	0.88A	2avsA-3rkoM: undetectable	2avsA-3rkoM: 14.39
Potential target for repurposing, i.e. matched protein structure has less than 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)	0.62A	2avsA-3slzA: 11.1	2avsA-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.	3t2y	SULFIDE-QUINONE REDUCTASE, PUTATIVE (Acidithiobacillus ferrooxidans)	PF07992 (Pyr_redox_2)	5	LEU A 7 GLY A 106 ALA A 303 GLY A 281 ILE A 103	FAD A 500 (-4.7A) FAD A 500 (-3.1A) None None None	0.73A	2avsA-3t2yA: undetectable	2avsA-3t2yA: 12.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 VAL A 32 ILE A 47 GLY A 49	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) None None 017 A 201 (-4.0A)	0.43A	2avsA-3t3cA: 18.8	2avsA-3t3cA: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 48 GLY A 49	017 A 201 ( 4.8A) None 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) None 017 A 201 (-3.0A)	1.43A	2avsA-3ttpA: 19.5	2avsA-3ttpA: 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)	8	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 GLY A 48 ILE A 84	017 A 201 ( 4.8A) None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-4.6A) None 017 A 201 (-4.7A)	0.42A	2avsA-3ttpA: 19.5	2avsA-3ttpA: 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)	8	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 GLY A 48 GLY A 49 ILE A 84	017 A 201 ( 4.8A) None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) None 017 A 201 (-3.0A) 017 A 201 (-4.7A)	0.39A	2avsA-3ttpA: 19.5	2avsA-3ttpA: 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)	5	ASP A 25 GLY A 27 ALA A 28 GLY A 49 ILE A 84	017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.0A) 017 A 201 (-4.7A)	0.70A	2avsA-3ttpA: 19.5	2avsA-3ttpA: 75.76
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 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 47 GLY A 49	None None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 ( 4.0A) 017 A 202 (-3.6A) 017 A 202 (-2.9A)	0.50A	2avsA-3u7sA: 20.1	2avsA-3u7sA: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 48 GLY A 49	None 017 A 202 ( 2.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 202 ( 4.6A) 017 A 202 (-2.9A)	1.29A	2avsA-3u7sA: 20.1	2avsA-3u7sA: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 ILE A 47 GLY A 48 GLY A 49	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 ( 4.0A) 017 A 202 (-3.6A) 017 A 202 ( 4.6A) 017 A 202 (-2.9A)	0.41A	2avsA-3u7sA: 20.1	2avsA-3u7sA: 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.	3vcy	UDP-N-ACETYLGLUCOSAM INE 1-CARBOXYVINYLTRANSF ERASE (Aliivibrio fischeri)	PF00275 (EPSP_synthase)	5	GLY A 134 ALA A 135 GLY A 99 VAL A 170 ILE A 137	None	0.76A	2avsA-3vcyA: undetectable	2avsA-3vcyA: 14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4bhd	SERINE HYDROXYMETHYLTRANSFE RASE (Methanocaldococcus jannaschii)	PF00464 (SHMT)	5	ASP A 196 GLY A 197 ALA A 198 GLY A 233 GLY A 234	None	0.84A	2avsA-4bhdA: undetectable	2avsA-4bhdA: 12.65
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.	4bru	ATP-DEPENDENT RNA HELICASE DHH1 (Saccharomyces cerevisiae)	PF00270 (DEAD) PF00271 (Helicase_C)	5	LEU A 337 VAL A 355 ILE A 371 GLY A 372 ILE A 287	None	0.88A	2avsA-4bruA: undetectable	2avsA-4bruA: 13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ccd	GALACTOCEREBROSIDASE (Mus musculus)	PF02057 (Glyco_hydro_59) PF17387 (Glyco_hydro_59M)	5	LEU A 154 VAL A 159 ILE A 86 GLY A 87 GLY A 88	None	0.77A	2avsA-4ccdA: undetectable	2avsA-4ccdA: 10.34
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.	4dn7	ABC TRANSPORTER, ATP-BINDING PROTEIN (Methanosarcina mazei)	PF01458 (UPF0051)	5	GLY A 255 ALA A 256 ILE A 196 GLY A 200 GLY A 199	None	0.83A	2avsA-4dn7A: undetectable	2avsA-4dn7A: 13.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ehc	PE-PGRS FAMILY PROTEIN (Mycobacterium tuberculosis)	no annotation	5	LEU A 34 ASP A 36 GLY A 38 VAL A 43 GLY A 63	None ZN A 301 (-2.3A) ZN A 301 ( 3.9A) None EDO A 319 (-3.2A)	0.78A	2avsA-4ehcA: 8.0	2avsA-4ehcA: 18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4f32	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Burkholderia vietnamiensis)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C)	5	GLY A 97 ALA A 96 VAL A 7 ILE A 10 GLY A 11	None	0.80A	2avsA-4f32A: undetectable	2avsA-4f32A: 13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4fr2	1,3-PROPANEDIOL DEHYDROGENASE (Oenococcus oeni)	PF00465 (Fe-ADH)	5	LEU A 137 GLY A 110 ALA A 111 VAL A 72 ILE A 96	None	0.88A	2avsA-4fr2A: undetectable	2avsA-4fr2A: 17.04
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 48 GLY A 49	None RIT A 500 (-2.4A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) RIT A 500 (-3.4A)	1.29A	2avsA-4njvA: 20.5	2avsA-4njvA: 83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 VAL A 32 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-4.8A) None RIT A 500 (-4.3A)	0.42A	2avsA-4njvA: 20.5	2avsA-4njvA: 83.84
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 VAL A 32 ILE A 47 GLY A 48 GLY A 49 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) None RIT A 500 ( 4.5A) RIT A 500 (-4.8A) RIT A 500 (-3.4A) RIT A 500 (-4.3A)	0.27A	2avsA-4njvA: 20.5	2avsA-4njvA: 83.84
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.	4nk6	POLY(BETA-D-MANNURON ATE) C5 EPIMERASE (Pseudomonas syringae group genomosp. 3)	PF13229 (Beta_helix)	5	VAL A 303 ILE A 316 GLY A 315 GLY A 292 ILE A 281	MLY A 304 ( 3.2A) None None None None	0.86A	2avsA-4nk6A: undetectable	2avsA-4nk6A: 10.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4r2b	EXTRACELLULAR SOLUTE-BINDING PROTEIN FAMILY 1 (Ochrobactrum anthropi)	PF01547 (SBP_bac_1)	5	GLY A 281 ALA A 280 GLY A 42 GLY A 43 ILE A 260	None	0.70A	2avsA-4r2bA: undetectable	2avsA-4r2bA: 13.57
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.	4y9w	ASPARTIC ACID ENDOPEPTIDASE SAPP2 (Candida parapsilosis)	PF00026 (Asp)	5	ASP A 32 GLY A 34 ASP A 37 GLY A 76 ILE A 116	None	0.71A	2avsA-4y9wA: 8.0	2avsA-4y9wA: 16.94
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	ARG A 10 LEU A 30 ASP A 32 GLY A 34 ALA A 35 VAL A 39 ILE A 100	None None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) None 4B1 A 201 (-4.8A)	0.58A	2avsA-4ydfA: 12.9	2avsA-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)	5	ASP A 32 GLY A 34 ALA A 35 GLY A 58 ILE A 100	4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-3.4A) 4B1 A 201 (-4.8A)	0.80A	2avsA-4ydfA: 12.9	2avsA-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)	5	LEU A 30 ASP A 32 GLY A 34 ALA A 35 GLY A 58	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-3.4A)	0.40A	2avsA-4ydfA: 12.9	2avsA-4ydfA: 32.17
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 30 GLY A 48 GLY A 49 ILE A 84	None	0.82A	2avsA-5b18A: 18.0	2avsA-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.	5b3j	NMDA GLUTAMATE RECEPTOR SUBUNIT (Xenopus laevis)	PF01094 (ANF_receptor)	5	GLY A 120 VAL A 306 ILE A 29 GLY A 30 VAL A 32	None	0.88A	2avsA-5b3jA: undetectable	2avsA-5b3jA: 12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5dvj	BINDING PROTEIN COMPONENT OF ABC SUGAR TRANSPORTER (Pseudomonas putida)	PF01547 (SBP_bac_1)	5	GLY A 279 ALA A 278 GLY A 39 GLY A 40 ILE A 258	None	0.70A	2avsA-5dvjA: undetectable	2avsA-5dvjA: 12.60
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.	5elz	TYPE II PANTOTHENATE KINASE (Staphylococcus aureus)	PF03630 (Fumble)	5	ALA A 95 ILE A 117 GLY A 116 GLY A 115 VAL A 114	None None 3V9 A 303 (-3.2A) None None	0.88A	2avsA-5elzA: undetectable	2avsA-5elzA: 19.62
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.	5ihe	DNA POLYMERASE II SMALL SUBUNIT (Pyrococcus abyssi)	PF00149 (Metallophos)	5	GLY A 500 ALA A 530 GLY A 534 GLY A 535 ILE A 458	None None None None ACT A 705 (-3.9A)	0.89A	2avsA-5iheA: undetectable	2avsA-5iheA: 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.	5ijz	NADP-SPECIFIC GLUTAMATE DEHYDROGENASE (Corynebacterium glutamicum)	PF00208 (ELFV_dehydrog) PF02812 (ELFV_dehydrog_N)	5	ARG A 96 VAL A 376 ILE A 124 GLY A 125 GLY A 126	NAP A 501 (-4.0A) AKG A 502 (-4.1A) None None None	0.80A	2avsA-5ijzA: undetectable	2avsA-5ijzA: 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.	5j60	THIOREDOXIN REDUCTASE (Gloeobacter violaceus)	PF07992 (Pyr_redox_2)	5	GLY A 113 ALA A 114 GLY A 258 GLY A 259 VAL A 260	FAD A 401 (-3.5A) None None None None	0.87A	2avsA-5j60A: undetectable	2avsA-5j60A: 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.	5jpn	COMPLEMENT C4-A (Homo sapiens)	PF00207 (A2M) PF01821 (ANATO) PF07678 (A2M_comp) PF10569 (Thiol-ester_cl)	5	ARG B1026 GLY B 990 GLY B 998 GLY B 999 VAL B1000	None	0.88A	2avsA-5jpnB: undetectable	2avsA-5jpnB: 8.96
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.	5kf7	BIFUNCTIONAL PROTEIN PUTA (Sinorhizobium meliloti)	PF00171 (Aldedh) PF01619 (Pro_dh) PF14850 (Pro_dh-DNA_bdg)	5	LEU A 697 VAL A 727 ILE A 717 GLY A 715 ILE A 700	None	0.82A	2avsA-5kf7A: undetectable	2avsA-5kf7A: 6.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 30 VAL A 32 ILE A 47 GLY A 49 ILE A 84	None	0.43A	2avsA-5t2zA: 20.1	2avsA-5t2zA: 79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5tc4	BIFUNCTIONAL METHYLENETETRAHYDROF OLATE DEHYDROGENASE/CYCLOH YDROLASE, MITOCHONDRIAL (Homo sapiens)	PF00763 (THF_DHG_CYH) PF02882 (THF_DHG_CYH_C)	5	ASP A 292 GLY A 255 ALA A 254 GLY A 206 VAL A 205	None NAD A 401 (-3.2A) NAD A 401 (-3.4A) None NAD A 401 (-4.1A)	0.85A	2avsA-5tc4A: undetectable	2avsA-5tc4A: 17.09
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.	5zgb	PSAL (Cyanidioschyzon merolae)	no annotation	5	LEU L 89 GLY L 51 ALA L 125 GLY L 130 ILE L 86	BCR L 205 (-3.7A) None None None None	0.88A	2avsA-5zgbL: undetectable	2avsA-5zgbL: 25.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6f9s	PROBABLE ATP-DEPENDENT RNA HELICASE DDX6 (Homo sapiens)	no annotation	5	LEU A 388 VAL A 406 ILE A 422 GLY A 423 ILE A 338	None	0.85A	2avsA-6f9sA: undetectable	2avsA-6f9sA: 16.67
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)	5	ARG A 13 LEU A 28 ASP A 30 GLY A 32 VAL A 59	None None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.3A)	0.55A	2avsA-6fivA: 15.2	2avsA-6fivA: 31.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	LEU A 28 ASP A 30 GLY A 32 ALA A 33 GLY A 58 VAL A 59	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.4A) 3TL A 201 (-4.3A)	0.47A	2avsA-6fivA: 15.2	2avsA-6fivA: 31.67
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	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ILE A 84	None None NIU A 100 (-2.8A) NIU A 100 (-4.5A) None	0.69A	2avsA-6upjA: 17.9	2avsA-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 ALA A 28 ASP A 30 GLY A 48 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	2avsA-6upjA: 17.9	2avsA-6upjA: 48.48

[["2AVS_B_MK1B902_1","1b3n","Escherichia coli","PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2)","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C)",5,"ASP A 233;GLY A 232;ILE A 108;GLY A 198;VAL A 199","None;None;CER A 413 (-3.3A);CER A 413 (-3.4A);None","0.84A","2avsA-1b3nA:undetectable","2avsA-1b3nA:14.01"],["2AVS_B_MK1B902_1","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"ASP E 215;GLY E 217;VAL E 222;GLY E  76;ILE E 300","None","0.68A","2avsA-1cziE:6.9","2avsA-1cziE:17.07"],["2AVS_B_MK1B902_1","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"LEU E  30;ASP E  32;GLY E  34;ASP E  37;ILE E 120","None","0.49A","2avsA-1cziE:6.9","2avsA-1cziE:17.07"],["2AVS_B_MK1B902_1","1fsu","Homo sapiens","N-ACETYLGALACTOSAMINE-4-SULFATASE","PF00884(Sulfatase)",5,"GLY A 268;ALA A 267;GLY A 309;GLY A 308;ILE A 258","None","0.68A","2avsA-1fsuA:undetectable","2avsA-1fsuA:13.70"],["2AVS_B_MK1B902_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  48;GLY A  49","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 (-3.6A);A79 A 800 ( 3.7A)","1.30A","2avsA-1hvcA:14.1","2avsA-1hvcA:46.31"],["2AVS_B_MK1B902_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  48;GLY A  49","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-4.1A);A79 A 800 (-3.4A)","1.32A","2avsA-1hvcA:14.1","2avsA-1hvcA:46.31"],["2AVS_B_MK1B902_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;ILE A  47;GLY A  48;GLY A  49;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 ( 4.9A);A79 A 800 ( 4.4A);A79 A 800 ( 3.2A);A79 A 800 (-3.6A);A79 A 800 ( 3.7A);A79 A 800 (-3.6A)","0.34A","2avsA-1hvcA:14.1","2avsA-1hvcA:46.31"],["2AVS_B_MK1B902_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;ILE A  47;GLY A  48;GLY A  49;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 ( 4.7A);A79 A 800 ( 4.3A);A79 A 800 ( 3.4A);A79 A 800 (-4.1A);A79 A 800 (-3.4A);A79 A 800 (-3.8A)","0.36A","2avsA-1hvcA:14.1","2avsA-1hvcA:46.31"],["2AVS_B_MK1B902_1","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;ILE A  84","None","0.43A","2avsA-1q9pA:10.1","2avsA-1q9pA:98.95"],["2AVS_B_MK1B902_1","1s4f","Pestivirus A","RNA-DEPENDENT RNA POLYMERASE","PF00998(RdRP_3)",5,"LEU A 669;GLY A 666;ALA A 590;ILE A 595;GLY A 596","None","0.66A","2avsA-1s4fA:undetectable","2avsA-1s4fA:11.00"],["2AVS_B_MK1B902_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",7,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  48;GLY A  49","None","1.44A","2avsA-1sivA:18.6","2avsA-1sivA:50.98"],["2AVS_B_MK1B902_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;GLY A  48;GLY A  49;ILE A  84","None","0.48A","2avsA-1sivA:18.6","2avsA-1sivA:50.98"],["2AVS_B_MK1B902_1","1uz5","Pyrococcus horikoshii","402AA LONG HYPOTHETICAL MOLYBDOPTERIN BIOSYNTHESIS MOEA PROTEIN","PF00994(MoCF_biosynth);PF03453(MoeA_N);PF03454(MoeA_C)",5,"ASP A 206;GLY A 209;GLY A 255;GLY A 302;ILE A 192","None","0.84A","2avsA-1uz5A:undetectable","2avsA-1uz5A:12.97"],["2AVS_B_MK1B902_1","1v5f","Aerococcus viridans","PYRUVATE OXIDASE","PF00205(TPP_enzyme_M);PF02775(TPP_enzyme_C);PF02776(TPP_enzyme_N)",5,"ASP A 388;ALA A 444;ASP A 442;VAL A 466;ILE A 440","None;TPP A1602 (-3.7A); MG A1603 ( 2.8A);None;None","0.87A","2avsA-1v5fA:undetectable","2avsA-1v5fA:10.80"],["2AVS_B_MK1B902_1","1vcg","Thermus thermophilus","ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE","PF01070(FMN_dh)",5,"ASP A 210;ALA A 212;GLY A 216;GLY A 264;VAL A 265","None;FMN A 501 ( 3.8A);FMN A 501 ( 4.0A);FMN A 501 (-4.3A);None","0.89A","2avsA-1vcgA:undetectable","2avsA-1vcgA:14.24"],["2AVS_B_MK1B902_1","1vlj","Thermotoga maritima","NADH-DEPENDENT BUTANOL DEHYDROGENASE","PF00465(Fe-ADH)",5,"GLY A  41;ILE A 140;GLY A  98;GLY A  97;VAL A  96","NAP A 800 (-4.1A);NAP A 800 (-3.8A);NAP A 800 (-3.2A);None;None","0.87A","2avsA-1vljA:undetectable","2avsA-1vljA:13.27"],["2AVS_B_MK1B902_1","1xru","Escherichia coli","4-DEOXY-L-THREO-5-HEXOSULOSE-URONATE KETOL-ISOMERASE","PF04962(KduI)",6,"GLY A  79;VAL A  59;ILE A  50;GLY A  49;GLY A  48;VAL A  47","None","1.07A","2avsA-1xruA:undetectable","2avsA-1xruA:13.43"],["2AVS_B_MK1B902_1","1y56","Pyrococcus horikoshii","HYPOTHETICAL PROTEIN PH1363","PF07992(Pyr_redox_2);PF13510(Fer2_4)",5,"ALA A 476;ILE A 316;GLY A 321;GLY A 320;ILE A 480","None","0.82A","2avsA-1y56A:undetectable","2avsA-1y56A:12.66"],["2AVS_B_MK1B902_1","1yp4","Solanum tuberosum","GLUCOSE-1-PHOSPHATE ADENYLYLTRANSFERASE SMALL SUBUNIT","PF00483(NTP_transferase)",5,"GLY A 358;ALA A 359;ILE A 408;GLY A 409;ILE A 355","None","0.77A","2avsA-1yp4A:undetectable","2avsA-1yp4A:12.56"],["2AVS_B_MK1B902_1","1zap","Candida albicans","SECRETED ASPARTIC PROTEINASE","PF00026(Asp)",5,"ASP A  32;GLY A  34;ASP A  37;GLY A  83;ILE A 123","A70 A 500 ( 2.7A);A70 A 500 (-3.8A);None;None;A70 A 500 (-4.8A)","0.63A","2avsA-1zapA:7.5","2avsA-1zapA:16.77"],["2AVS_B_MK1B902_1","1zo1","Escherichia coli","TRANSLATION INITIATION FACTOR 1","PF01176(eIF-1a)",5,"LEU W  26;GLY W  65;ALA W  34;VAL W  13;ILE W  47","None","0.88A","2avsA-1zo1W:undetectable","2avsA-1zo1W:22.22"],["2AVS_B_MK1B902_1","1zo1","Escherichia coli","TRANSLATION INITIATION FACTOR 1","PF01176(eIF-1a)",5,"LEU W  26;GLY W  65;ALA W  34;VAL W  13;VAL W  68","None","0.74A","2avsA-1zo1W:undetectable","2avsA-1zo1W:22.22"],["2AVS_B_MK1B902_1","2a5z","Shewanella oneidensis","HYPOTHETICAL PROTEIN SO2946","no annotation",5,"ALA A 105;VAL A 122;ILE A 138;GLY A 139;ILE A 249","None","0.88A","2avsA-2a5zA:undetectable","2avsA-2a5zA:16.33"],["2AVS_B_MK1B902_1","2cjq","Pestivirus A","RNA-DIRECTED RNA POLYMERASE","PF00998(RdRP_3)",5,"LEU A 669;GLY A 666;ALA A 590;ILE A 595;GLY A 596","None","0.74A","2avsA-2cjqA:undetectable","2avsA-2cjqA:11.85"],["2AVS_B_MK1B902_1","2e9y","Aeropyrum pernix","CARBAMATE KINASE","PF00696(AA_kinase)",5,"LEU A 178;ALA A 191;GLY A 195;GLY A 196;VAL A 197","None","0.85A","2avsA-2e9yA:undetectable","2avsA-2e9yA:14.24"],["2AVS_B_MK1B902_1","2eb0","Methanocaldococcus jannaschii","MANGANESE-DEPENDENT INORGANIC PYROPHOSPHATASE","PF01368(DHH);PF02833(DHHA2)",5,"ALA A 263;VAL A 297;ILE A 215;GLY A 216;VAL A 218","None","0.86A","2avsA-2eb0A:undetectable","2avsA-2eb0A:16.44"],["2AVS_B_MK1B902_1","2ewn","Escherichia coli","BIRA BIFUNCTIONAL PROTEIN","PF02237(BPL_C);PF03099(BPL_LplA_LipB);PF08279(HTH_11)",5,"ARG A 121;GLY A 206;VAL A 189;ILE A 153;GLY A 154","BTX A 501 (-4.1A);BTX A 501 (-3.5A);None;None;None","0.88A","2avsA-2ewnA:undetectable","2avsA-2ewnA:19.05"],["2AVS_B_MK1B902_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",6,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ILE A  53;ILE A  89","LP1 A 201 (-3.5A);None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-4.6A);LP1 A 201 (-4.2A)","0.65A","2avsA-2fmbA:15.0","2avsA-2fmbA:34.91"],["2AVS_B_MK1B902_1","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;VAL A  32;ILE A  53;GLY A  54;GLY A  55;VAL A  56;ILE A  89","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);None;LP1 A 201 (-4.6A);LP1 A 201 (-3.6A);LP1 A 201 (-3.4A);LP1 A 201 ( 4.7A);LP1 A 201 (-4.2A)","0.55A","2avsA-2fmbA:15.0","2avsA-2fmbA:34.91"],["2AVS_B_MK1B902_1","2h6e","Sulfolobus solfataricus","D-ARABINOSE 1-DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 269;VAL A 176;ILE A 179;GLY A 180;GLY A 181","None","0.89A","2avsA-2h6eA:undetectable","2avsA-2h6eA:14.94"],["2AVS_B_MK1B902_1","2hqb","Bacillus halodurans","TRANSCRIPTIONAL ACTIVATOR OF COMK GENE","PF02608(Bmp)",6,"ALA A 201;VAL A 190;ILE A 126;GLY A 124;VAL A 123;ILE A 194","None","1.34A","2avsA-2hqbA:undetectable","2avsA-2hqbA:16.55"],["2AVS_B_MK1B902_1","2q0l","Helicobacter pylori","THIOREDOXIN REDUCTASE","PF07992(Pyr_redox_2)",5,"ALA A   5;VAL A  84;ILE A 108;GLY A   8;ILE A  93","None;None;None;FAD A 400 (-3.2A);None","0.82A","2avsA-2q0lA:undetectable","2avsA-2q0lA:15.99"],["2AVS_B_MK1B902_1","2qpz","Pseudomonas putida","NAPHTHALENE 1,2-DIOXYGENASE SYSTEM FERREDOXIN SUBUNIT","PF00355(Rieske)",5,"LEU A 102;ALA A   7;VAL A  91;ILE A  37;ILE A 100","None","0.84A","2avsA-2qpzA:undetectable","2avsA-2qpzA:22.02"],["2AVS_B_MK1B902_1","2qzw","Candida albicans","CANDIDAPEPSIN-1","PF00026(Asp)",5,"ASP A  32;GLY A  34;ASP A  37;GLY A  83;ILE A 123","None","0.56A","2avsA-2qzwA:7.8","2avsA-2qzwA:14.54"],["2AVS_B_MK1B902_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;GLY A  48;GLY A  49;ILE A  84","AB1 A 501 ( 4.7A);None;AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 (-4.2A);AB1 A 501 (-3.5A);AB1 A 501 ( 4.2A)","0.49A","2avsA-2rkfA:21.0","2avsA-2rkfA:81.82"],["2AVS_B_MK1B902_1","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",6,"ARG A  10;LEU A  35;ASP A  37;GLY A  39;ALA A  40;ILE A 108","None","0.87A","2avsA-2rspA:12.9","2avsA-2rspA:32.80"],["2AVS_B_MK1B902_1","2uv8","Saccharomyces cerevisiae","FATTY ACID SYNTHASE SUBUNIT BETA (FAS1)","PF00698(Acyl_transf_1);PF01575(MaoC_dehydratas);PF08354(DUF1729);PF13452(MaoC_dehydrat_N);PF16073(SAT)",5,"LEU G 679;GLY G 662;GLY G 623;GLY G 622;ILE G 649","None;None;None;FMN G3051 ( 4.5A);None","0.89A","2avsA-2uv8G:undetectable","2avsA-2uv8G:4.50"],["2AVS_B_MK1B902_1","2vca","Clostridium perfringens","ALPHA-N-ACETYLGLUCOSAMINIDASE","PF00754(F5_F8_type_C);PF05089(NAGLU);PF12971(NAGLU_N);PF12972(NAGLU_C)",5,"GLY A  32;VAL A 152;ILE A 132;GLY A 130;ILE A  29","None","0.81A","2avsA-2vcaA:undetectable","2avsA-2vcaA:8.10"],["2AVS_B_MK1B902_1","2vdc","Azospirillum brasilense","GLUTAMATE SYNTHASE [NADPH] LARGE CHAIN","PF00310(GATase_2);PF01493(GXGXG);PF01645(Glu_synthase);PF04898(Glu_syn_central)",5,"LEU A1286;ALA A1272;ASP A1291;VAL A1307;GLY A1324","None","0.81A","2avsA-2vdcA:undetectable","2avsA-2vdcA:6.45"],["2AVS_B_MK1B902_1","2yb6","Homo sapiens","UBIQUITIN-CONJUGATING ENZYME E2 B","PF00179(UQ_con)",5,"GLY A  26;ALA A  38;VAL A  70;ILE A 109;ILE A  57","None","0.84A","2avsA-2yb6A:undetectable","2avsA-2yb6A:19.75"],["2AVS_B_MK1B902_1","3cj8","Enterococcus faecalis","2,3,4,5-TETRAHYDROPYRIDINE-2,6-DICARBOXYLATE N-ACETYLTRANSFERASE","PF00132(Hexapep);PF08503(DapH_N);PF14602(Hexapep_2)",5,"GLY A 112;ALA A 113;ILE A 145;GLY A 146;ILE A 109","None","0.83A","2avsA-3cj8A:undetectable","2avsA-3cj8A:21.67"],["2AVS_B_MK1B902_1","3cj8","Enterococcus faecalis","2,3,4,5-TETRAHYDROPYRIDINE-2,6-DICARBOXYLATE N-ACETYLTRANSFERASE","PF00132(Hexapep);PF08503(DapH_N);PF14602(Hexapep_2)",5,"GLY A 130;ALA A 131;ILE A 171;GLY A 172;ILE A 127","None","0.76A","2avsA-3cj8A:undetectable","2avsA-3cj8A:21.67"],["2AVS_B_MK1B902_1","3dwb","Homo sapiens","ENDOTHELIN-CONVERTING ENZYME 1","PF01431(Peptidase_M13);PF05649(Peptidase_M13_N)",5,"GLY A 674;ILE A 601;GLY A 600;GLY A 599;ILE A 471","None","0.73A","2avsA-3dwbA:undetectable","2avsA-3dwbA:9.94"],["2AVS_B_MK1B902_1","3fbs","Agrobacterium fabrum","OXIDOREDUCTASE","PF07992(Pyr_redox_2)",5,"GLY A 284;ALA A  17;ILE A  66;GLY A  22;ILE A   7","None","0.88A","2avsA-3fbsA:undetectable","2avsA-3fbsA:17.06"],["2AVS_B_MK1B902_1","3gh8","Mus musculus","IODOTYROSINE DEHALOGENASE 1","PF00881(Nitroreductase)",5,"LEU A 256;GLY A 218;ILE A 116;GLY A 120;ILE A 190","None","0.79A","2avsA-3gh8A:undetectable","2avsA-3gh8A:20.40"],["2AVS_B_MK1B902_1","3i3l","Streptomyces venezuelae","ALKYLHALIDASE CMLS","PF04820(Trp_halogenase)",5,"GLY A  19;ALA A  18;GLY A  12;GLY A  11;ILE A 161","None;None;FAD A 600 (-3.6A);None;None","0.83A","2avsA-3i3lA:undetectable","2avsA-3i3lA:11.11"],["2AVS_B_MK1B902_1","3ico","Mycobacterium tuberculosis","6-PHOSPHOGLUCONOLACTONASE","PF01182(Glucosamine_iso)",5,"LEU A  67;ALA A  36;VAL A 142;GLY A  24;ILE A  38","None","0.87A","2avsA-3icoA:undetectable","2avsA-3icoA:16.79"],["2AVS_B_MK1B902_1","3j7a","Plasmodium falciparum","40S RIBOSOMAL PROTEIN ES6","PF01092(Ribosomal_S6e)",5,"LEU H 111;GLY H  55;ILE H 101;GLY H 103;ILE H  52","None;  G A 160 ( 3.9A);None;None;None","0.75A","2avsA-3j7aH:undetectable","2avsA-3j7aH:16.19"],["2AVS_B_MK1B902_1","3kci","Homo sapiens","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","PF00415(RCC1)",5,"GLY A4099;ALA A4098;ILE A3991;GLY A3992;GLY A3993","None","0.77A","2avsA-3kciA:undetectable","2avsA-3kciA:12.79"],["2AVS_B_MK1B902_1","3la4","Canavalia ensiformis","UREASE","PF00449(Urease_alpha);PF00547(Urease_gamma);PF00699(Urease_beta);PF01979(Amidohydro_1)",5,"ARG A 245;ALA A 228;ASP A 229;GLY A 224;VAL A 176","None","0.89A","2avsA-3la4A:undetectable","2avsA-3la4A:8.97"],["2AVS_B_MK1B902_1","3lnp","Oleispira antarctica","AMIDOHYDROLASE FAMILY PROTEIN OLEI01672_1_465","PF01979(Amidohydro_1)",5,"GLY A 207;ILE A  55;GLY A  54;VAL A 430;ILE A 384","None","0.84A","2avsA-3lnpA:undetectable","2avsA-3lnpA:13.33"],["2AVS_B_MK1B902_1","3mqt","Shewanella pealeana","MANDELATE RACEMASE\/MUCONATE LACTONIZING PROTEIN","PF02746(MR_MLE_N);PF13378(MR_MLE_C)",5,"GLY A  41;ILE A 102;GLY A 287;GLY A 288;VAL A 289","None","0.87A","2avsA-3mqtA:undetectable","2avsA-3mqtA:14.32"],["2AVS_B_MK1B902_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"ARG A   8;LEU A  23;ALA A  28;ASP A  29;GLY A  48;GLY A  49","None","1.44A","2avsA-3mwsA:19.6","2avsA-3mwsA:78.79"],["2AVS_B_MK1B902_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;ILE A  47;ILE A  84","None","0.56A","2avsA-3mwsA:19.6","2avsA-3mwsA:78.79"],["2AVS_B_MK1B902_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;VAL A  32;ILE A  47;GLY A  48;GLY A  49;ILE A  84","None","0.40A","2avsA-3mwsA:19.6","2avsA-3mwsA:78.79"],["2AVS_B_MK1B902_1","3rko","Escherichia coli","NADH-QUINONE OXIDOREDUCTASE SUBUNIT M","no annotation",5,"LEU M   6;VAL M 127;GLY M  98;VAL M  99;ILE M 128","None","0.88A","2avsA-3rkoM:undetectable","2avsA-3rkoM:14.39"],["2AVS_B_MK1B902_1","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",6,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;VAL A  39;GLY A  56","None;3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);None;3TL A 126 (-3.4A)","0.62A","2avsA-3slzA:11.1","2avsA-3slzA:25.95"],["2AVS_B_MK1B902_1","3t2y","Acidithiobacillus ferrooxidans","SULFIDE-QUINONE REDUCTASE, PUTATIVE","PF07992(Pyr_redox_2)",5,"LEU A   7;GLY A 106;ALA A 303;GLY A 281;ILE A 103","FAD A 500 (-4.7A);FAD A 500 (-3.1A);None;None;None","0.73A","2avsA-3t2yA:undetectable","2avsA-3t2yA:12.65"],["2AVS_B_MK1B902_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;ILE A  47;GLY A  49","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-4.2A);None;None;017 A 201 (-4.0A)","0.43A","2avsA-3t3cA:18.8","2avsA-3t3cA:73.74"],["2AVS_B_MK1B902_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  48;GLY A  49","017 A 201 ( 4.8A);None;017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);None;017 A 201 (-3.0A)","1.43A","2avsA-3ttpA:19.5","2avsA-3ttpA:75.76"],["2AVS_B_MK1B902_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;GLY A  48;ILE A  84","017 A 201 ( 4.8A);None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-4.6A);None;017 A 201 (-4.7A)","0.42A","2avsA-3ttpA:19.5","2avsA-3ttpA:75.76"],["2AVS_B_MK1B902_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;GLY A  48;GLY A  49;ILE A  84","017 A 201 ( 4.8A);None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);None;017 A 201 (-3.0A);017 A 201 (-4.7A)","0.39A","2avsA-3ttpA:19.5","2avsA-3ttpA:75.76"],["2AVS_B_MK1B902_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ASP A  25;GLY A  27;ALA A  28;GLY A  49;ILE A  84","017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.0A);017 A 201 (-4.7A)","0.70A","2avsA-3ttpA:19.5","2avsA-3ttpA:75.76"],["2AVS_B_MK1B902_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  47;GLY A  49","None;None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 ( 4.0A);017 A 202 (-3.6A);017 A 202 (-2.9A)","0.50A","2avsA-3u7sA:20.1","2avsA-3u7sA:75.76"],["2AVS_B_MK1B902_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  48;GLY A  49","None;017 A 202 ( 2.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 202 ( 4.6A);017 A 202 (-2.9A)","1.29A","2avsA-3u7sA:20.1","2avsA-3u7sA:75.76"],["2AVS_B_MK1B902_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;ILE A  47;GLY A  48;GLY A  49","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 ( 4.0A);017 A 202 (-3.6A);017 A 202 ( 4.6A);017 A 202 (-2.9A)","0.41A","2avsA-3u7sA:20.1","2avsA-3u7sA:75.76"],["2AVS_B_MK1B902_1","3vcy","Aliivibrio fischeri","UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE","PF00275(EPSP_synthase)",5,"GLY A 134;ALA A 135;GLY A  99;VAL A 170;ILE A 137","None","0.76A","2avsA-3vcyA:undetectable","2avsA-3vcyA:14.15"],["2AVS_B_MK1B902_1","4bhd","Methanocaldococcus jannaschii","SERINE HYDROXYMETHYLTRANSFERASE","PF00464(SHMT)",5,"ASP A 196;GLY A 197;ALA A 198;GLY A 233;GLY A 234","None","0.84A","2avsA-4bhdA:undetectable","2avsA-4bhdA:12.65"],["2AVS_B_MK1B902_1","4bru","Saccharomyces cerevisiae","ATP-DEPENDENT RNA HELICASE DHH1","PF00270(DEAD);PF00271(Helicase_C)",5,"LEU A 337;VAL A 355;ILE A 371;GLY A 372;ILE A 287","None","0.88A","2avsA-4bruA:undetectable","2avsA-4bruA:13.64"],["2AVS_B_MK1B902_1","4ccd","Mus musculus","GALACTOCEREBROSIDASE","PF02057(Glyco_hydro_59);PF17387(Glyco_hydro_59M)",5,"LEU A 154;VAL A 159;ILE A  86;GLY A  87;GLY A  88","None","0.77A","2avsA-4ccdA:undetectable","2avsA-4ccdA:10.34"],["2AVS_B_MK1B902_1","4dn7","Methanosarcina mazei","ABC TRANSPORTER, ATP-BINDING PROTEIN","PF01458(UPF0051)",5,"GLY A 255;ALA A 256;ILE A 196;GLY A 200;GLY A 199","None","0.83A","2avsA-4dn7A:undetectable","2avsA-4dn7A:13.29"],["2AVS_B_MK1B902_1","4ehc","Mycobacterium tuberculosis","PE-PGRS FAMILY PROTEIN","no annotation",5,"LEU A  34;ASP A  36;GLY A  38;VAL A  43;GLY A  63","None; ZN A 301 (-2.3A); ZN A 301 ( 3.9A);None;EDO A 319 (-3.2A)","0.78A","2avsA-4ehcA:8.0","2avsA-4ehcA:18.15"],["2AVS_B_MK1B902_1","4f32","Burkholderia vietnamiensis","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C)",5,"GLY A  97;ALA A  96;VAL A   7;ILE A  10;GLY A  11","None","0.80A","2avsA-4f32A:undetectable","2avsA-4f32A:13.55"],["2AVS_B_MK1B902_1","4fr2","Oenococcus oeni","1,3-PROPANEDIOL DEHYDROGENASE","PF00465(Fe-ADH)",5,"LEU A 137;GLY A 110;ALA A 111;VAL A  72;ILE A  96","None","0.88A","2avsA-4fr2A:undetectable","2avsA-4fr2A:17.04"],["2AVS_B_MK1B902_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  48;GLY A  49","None;RIT A 500 (-2.4A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);RIT A 500 (-3.4A)","1.29A","2avsA-4njvA:20.5","2avsA-4njvA:83.84"],["2AVS_B_MK1B902_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-4.8A);None;RIT A 500 (-4.3A)","0.42A","2avsA-4njvA:20.5","2avsA-4njvA:83.84"],["2AVS_B_MK1B902_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;VAL A  32;ILE A  47;GLY A  48;GLY A  49;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);None;RIT A 500 ( 4.5A);RIT A 500 (-4.8A);RIT A 500 (-3.4A);RIT A 500 (-4.3A)","0.27A","2avsA-4njvA:20.5","2avsA-4njvA:83.84"],["2AVS_B_MK1B902_1","4nk6","Pseudomonas syringae group genomosp. 3","POLY(BETA-D-MANNURONATE) C5 EPIMERASE","PF13229(Beta_helix)",5,"VAL A 303;ILE A 316;GLY A 315;GLY A 292;ILE A 281","MLY A 304 ( 3.2A);None;None;None;None","0.86A","2avsA-4nk6A:undetectable","2avsA-4nk6A:10.59"],["2AVS_B_MK1B902_1","4r2b","Ochrobactrum anthropi","EXTRACELLULAR SOLUTE-BINDING PROTEIN FAMILY 1","PF01547(SBP_bac_1)",5,"GLY A 281;ALA A 280;GLY A  42;GLY A  43;ILE A 260","None","0.70A","2avsA-4r2bA:undetectable","2avsA-4r2bA:13.57"],["2AVS_B_MK1B902_1","4y9w","Candida parapsilosis","ASPARTIC ACID ENDOPEPTIDASE SAPP2","PF00026(Asp)",5,"ASP A  32;GLY A  34;ASP A  37;GLY A  76;ILE A 116","None","0.71A","2avsA-4y9wA:8.0","2avsA-4y9wA:16.94"],["2AVS_B_MK1B902_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",7,"ARG A  10;LEU A  30;ASP A  32;GLY A  34;ALA A  35;VAL A  39;ILE A 100","None;None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);None;4B1 A 201 (-4.8A)","0.58A","2avsA-4ydfA:12.9","2avsA-4ydfA:32.17"],["2AVS_B_MK1B902_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",5,"ASP A  32;GLY A  34;ALA A  35;GLY A  58;ILE A 100","4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-3.4A);4B1 A 201 (-4.8A)","0.80A","2avsA-4ydfA:12.9","2avsA-4ydfA:32.17"],["2AVS_B_MK1B902_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",5,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;GLY A  58","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-3.4A)","0.40A","2avsA-4ydfA:12.9","2avsA-4ydfA:32.17"],["2AVS_B_MK1B902_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  30;GLY A  48;GLY A  49;ILE A  84","None","0.82A","2avsA-5b18A:18.0","2avsA-5b18A:74.75"],["2AVS_B_MK1B902_1","5b3j","Xenopus laevis","NMDA GLUTAMATE RECEPTOR SUBUNIT","PF01094(ANF_receptor)",5,"GLY A 120;VAL A 306;ILE A  29;GLY A  30;VAL A  32","None","0.88A","2avsA-5b3jA:undetectable","2avsA-5b3jA:12.03"],["2AVS_B_MK1B902_1","5dvj","Pseudomonas putida","BINDING PROTEIN COMPONENT OF ABC SUGAR TRANSPORTER","PF01547(SBP_bac_1)",5,"GLY A 279;ALA A 278;GLY A  39;GLY A  40;ILE A 258","None","0.70A","2avsA-5dvjA:undetectable","2avsA-5dvjA:12.60"],["2AVS_B_MK1B902_1","5elz","Staphylococcus aureus","TYPE II PANTOTHENATE KINASE","PF03630(Fumble)",5,"ALA A  95;ILE A 117;GLY A 116;GLY A 115;VAL A 114","None;None;3V9 A 303 (-3.2A);None;None","0.88A","2avsA-5elzA:undetectable","2avsA-5elzA:19.62"],["2AVS_B_MK1B902_1","5ihe","Pyrococcus abyssi","DNA POLYMERASE II SMALL SUBUNIT","PF00149(Metallophos)",5,"GLY A 500;ALA A 530;GLY A 534;GLY A 535;ILE A 458","None;None;None;None;ACT A 705 (-3.9A)","0.89A","2avsA-5iheA:undetectable","2avsA-5iheA:12.47"],["2AVS_B_MK1B902_1","5ijz","Corynebacterium glutamicum","NADP-SPECIFIC GLUTAMATE DEHYDROGENASE","PF00208(ELFV_dehydrog);PF02812(ELFV_dehydrog_N)",5,"ARG A  96;VAL A 376;ILE A 124;GLY A 125;GLY A 126","NAP A 501 (-4.0A);AKG A 502 (-4.1A);None;None;None","0.80A","2avsA-5ijzA:undetectable","2avsA-5ijzA:15.79"],["2AVS_B_MK1B902_1","5j60","Gloeobacter violaceus","THIOREDOXIN REDUCTASE","PF07992(Pyr_redox_2)",5,"GLY A 113;ALA A 114;GLY A 258;GLY A 259;VAL A 260","FAD A 401 (-3.5A);None;None;None;None","0.87A","2avsA-5j60A:undetectable","2avsA-5j60A:16.13"],["2AVS_B_MK1B902_1","5jpn","Homo sapiens","COMPLEMENT C4-A","PF00207(A2M);PF01821(ANATO);PF07678(A2M_comp);PF10569(Thiol-ester_cl)",5,"ARG B1026;GLY B 990;GLY B 998;GLY B 999;VAL B1000","None","0.88A","2avsA-5jpnB:undetectable","2avsA-5jpnB:8.96"],["2AVS_B_MK1B902_1","5kf7","Sinorhizobium meliloti","BIFUNCTIONAL PROTEIN PUTA","PF00171(Aldedh);PF01619(Pro_dh);PF14850(Pro_dh-DNA_bdg)",5,"LEU A 697;VAL A 727;ILE A 717;GLY A 715;ILE A 700","None","0.82A","2avsA-5kf7A:undetectable","2avsA-5kf7A:6.34"],["2AVS_B_MK1B902_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;ILE A  47;GLY A  49;ILE A  84","None","0.43A","2avsA-5t2zA:20.1","2avsA-5t2zA:79.80"],["2AVS_B_MK1B902_1","5tc4","Homo sapiens","BIFUNCTIONAL METHYLENETETRAHYDROFOLATE DEHYDROGENASE\/CYCLOHYDROLASE, MITOCHONDRIAL","PF00763(THF_DHG_CYH);PF02882(THF_DHG_CYH_C)",5,"ASP A 292;GLY A 255;ALA A 254;GLY A 206;VAL A 205","None;NAD A 401 (-3.2A);NAD A 401 (-3.4A);None;NAD A 401 (-4.1A)","0.85A","2avsA-5tc4A:undetectable","2avsA-5tc4A:17.09"],["2AVS_B_MK1B902_1","5zgb","Cyanidioschyzon merolae","PSAL","no annotation",5,"LEU L  89;GLY L  51;ALA L 125;GLY L 130;ILE L  86","BCR L 205 (-3.7A);None;None;None;None","0.88A","2avsA-5zgbL:undetectable","2avsA-5zgbL:25.74"],["2AVS_B_MK1B902_1","6f9s","Homo sapiens","PROBABLE ATP-DEPENDENT RNA HELICASE DDX6","no annotation",5,"LEU A 388;VAL A 406;ILE A 422;GLY A 423;ILE A 338","None","0.85A","2avsA-6f9sA:undetectable","2avsA-6f9sA:16.67"],["2AVS_B_MK1B902_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",5,"ARG A  13;LEU A  28;ASP A  30;GLY A  32;VAL A  59","None;None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.3A)","0.55A","2avsA-6fivA:15.2","2avsA-6fivA:31.67"],["2AVS_B_MK1B902_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"LEU A  28;ASP A  30;GLY A  32;ALA A  33;GLY A  58;VAL A  59","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.4A);3TL A 201 (-4.3A)","0.47A","2avsA-6fivA:15.2","2avsA-6fivA:31.67"],["2AVS_B_MK1B902_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",5,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ILE A  84","None;None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);None","0.69A","2avsA-6upjA:17.9","2avsA-6upjA:48.48"],["2AVS_B_MK1B902_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;GLY A  48;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","2avsA-6upjA:17.9","2avsA-6upjA:48.48"]]