SIMILAR PATTERNS OF AMINO ACIDS FOR 3S45_B_478B201_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.	1bhy	P64K (Neisseria meningitidis)	PF02852 (Pyr_redox_dim) PF07992 (Pyr_redox_2)	5	ALA A 555 ILE A 579 GLY A 538 ILE A 527 ILE A 565	None	0.79A	3s45B-1bhyA: undetectable	3s45B-1bhyA: 12.37
Potential target for repurposing, i.e. matched protein structure has less than 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	0.61A	3s45B-1cziE: 7.2	3s45B-1cziE: 15.82
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.	1f3l	PROTEIN ARGININE METHYLTRANSFERASE PRMT3 (Rattus norvegicus)	PF06325 (PrmA)	5	LEU A 266 ASP A 258 ALA A 280 ILE A 286 ILE A 265	SAH A 529 ( 4.4A) SAH A 529 ( 4.4A) None None SAH A 529 (-4.9A)	0.93A	3s45B-1f3lA: undetectable	3s45B-1f3lA: 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.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ALA A 28 ASP A 29 ASP A 30 GLY A 48 ILE A 84	A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 (-4.1A) A79 A 800 (-3.8A)	0.73A	3s45B-1hvcA: 12.4	3s45B-1hvcA: 27.09
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.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A)	1.28A	3s45B-1hvcA: 12.4	3s45B-1hvcA: 27.09
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.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A) A79 A 800 (-3.8A)	0.55A	3s45B-1hvcA: 12.4	3s45B-1hvcA: 27.09
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.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 ( 3.7A) A79 A 800 (-3.6A)	0.46A	3s45B-1hvcA: 12.4	3s45B-1hvcA: 27.09
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.	1hvc	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 GLY A 49 ILE A 50 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 ( 4.9A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 (-3.6A)	0.47A	3s45B-1hvcA: 12.4	3s45B-1hvcA: 27.09
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.	1hyh	L-2-HYDROXYISOCAPROA TE DEHYDROGENASE (Weissella confusa)	PF00056 (Ldh_1_N) PF02866 (Ldh_1_C)	5	ALA A 46 ASP A 47 ASP A 48 ILE A 94 ILE A 24	None	0.99A	3s45B-1hyhA: undetectable	3s45B-1hyhA: 15.76
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.	1iyx	ENOLASE (Enterococcus hirae)	PF00113 (Enolase_C) PF03952 (Enolase_N)	5	ALA A 109 ILE A 73 ILE A 94 ILE A 78 ILE A 74	None	0.98A	3s45B-1iyxA: undetectable	3s45B-1iyxA: 17.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1q9p	HIV-1 PROTEASE (Homo sapiens)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	None	0.49A	3s45B-1q9pA: 9.8	3s45B-1q9pA: 49.47
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)	5	ALA A 28 ASP A 29 ILE A 32 GLY A 48 ILE A 84	None	0.89A	3s45B-1sivA: 20.8	3s45B-1sivA: 86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.28A	3s45B-1sivA: 20.8	3s45B-1sivA: 86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 82	None	0.61A	3s45B-1sivA: 20.8	3s45B-1sivA: 86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 82 ILE A 84	None	0.53A	3s45B-1sivA: 20.8	3s45B-1sivA: 86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 32 GLY A 49 ILE A 50	None	0.57A	3s45B-1sivA: 20.8	3s45B-1sivA: 86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 32 GLY A 49 ILE A 84	None	0.51A	3s45B-1sivA: 20.8	3s45B-1sivA: 86.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1to3	PUTATIVE ALDOLASE YIHT (Salmonella enterica)	PF01791 (DeoC)	5	LEU A 184 GLY A 188 ALA A 189 ASP A 190 ILE A 158	None	0.88A	3s45B-1to3A: undetectable	3s45B-1to3A: 16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1to6	GLYCERATE KINASE (Neisseria meningitidis)	PF02595 (Gly_kinase)	5	ALA A 190 ASP A 191 GLY A 244 ILE A 247 ILE A 259	None None SO4 A 373 (-3.5A) None None	0.90A	3s45B-1to6A: undetectable	3s45B-1to6A: 15.75
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.	1vgw	4-DIPHOSPHOCYTIDYL-2 C-METHYL-D-ERYTHRITO L SYNTHASE (Neisseria gonorrhoeae)	PF01128 (IspD)	5	GLY A 173 ALA A 172 ASP A 103 ILE A 6 ILE A 105	None	0.85A	3s45B-1vgwA: undetectable	3s45B-1vgwA: 24.20
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.	1z45	GAL10 BIFUNCTIONAL PROTEIN (Saccharomyces cerevisiae)	PF01263 (Aldose_epim) PF16363 (GDP_Man_Dehyd)	5	GLY A 392 GLY A 428 ILE A 427 ILE A 518 ILE A 505	None	0.87A	3s45B-1z45A: undetectable	3s45B-1z45A: 10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2bjr	MFP2B (Ascaris suum)	PF12150 (MFP2b)	5	LEU A 73 GLY A 47 ALA A 36 ILE A 16 ILE A 77	None	0.90A	3s45B-2bjrA: undetectable	3s45B-2bjrA: 15.82
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.	2dws	COPPER-CONTAINING NITRITE REDUCTASE (Rhodobacter sphaeroides)	PF00394 (Cu-oxidase) PF07732 (Cu-oxidase_3)	5	GLY A 254 ALA A 255 GLY A 347 ILE A 250 ILE A 217	None	0.81A	3s45B-2dwsA: undetectable	3s45B-2dwsA: 18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2dy3	ALANINE RACEMASE (Corynebacterium glutamicum)	PF00842 (Ala_racemase_C) PF01168 (Ala_racemase_N)	5	GLY A 53 ALA A 54 ASP A 55 ILE A 13 ILE A 49	None	0.89A	3s45B-2dy3A: undetectable	3s45B-2dy3A: 15.54
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.	2ewn	BIRA BIFUNCTIONAL PROTEIN (Escherichia coli)	PF02237 (BPL_C) PF03099 (BPL_LplA_LipB) PF08279 (HTH_11)	5	GLY A 186 ALA A 185 GLY A 154 ILE A 153 ILE A 207	BTX A 501 (-3.3A) None None None None	0.78A	3s45B-2ewnA: undetectable	3s45B-2ewnA: 16.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 55 ILE A 89	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) LP1 A 201 (-3.4A) LP1 A 201 (-4.2A)	0.38A	3s45B-2fmbA: 15.7	3s45B-2fmbA: 37.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2oby	PUTATIVE QUINONE OXIDOREDUCTASE (Homo sapiens)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	LEU A 145 GLY A 189 ALA A 188 ILE A 167 GLY A 185	None	0.89A	3s45B-2obyA: undetectable	3s45B-2obyA: 13.04
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.	2rfb	CYTOCHROME P450 (Picrophilus torridus)	PF00067 (p450)	5	LEU A 205 ALA A 317 ASP A 320 ILE A 115 ILE A 206	HEM A 410 ( 4.0A) None None None None	0.89A	3s45B-2rfbA: undetectable	3s45B-2rfbA: 25.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 32 GLY A 49 ILE A 50 ILE A 84	None AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-4.5A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 ( 4.2A)	0.54A	3s45B-2rkfA: 18.8	3s45B-2rkfA: 49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2rmp	MUCOROPEPSIN (Rhizomucor miehei)	PF00026 (Asp)	5	ASP A 237 GLY A 239 ILE A 244 GLY A 83 ILE A 329	None	0.88A	3s45B-2rmpA: 6.7	3s45B-2rmpA: 13.88
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.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	6	ASP A 37 GLY A 39 ALA A 40 ASP A 41 ILE A 44 ILE A 108	None	0.53A	3s45B-2rspA: 12.9	3s45B-2rspA: 29.13
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.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	6	LEU A 35 ASP A 37 GLY A 39 ALA A 40 ASP A 41 ILE A 108	None	0.40A	3s45B-2rspA: 12.9	3s45B-2rspA: 29.13
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.	2wsk	GLYCOGEN DEBRANCHING ENZYME (Escherichia coli)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	5	LEU A 188 GLY A 255 ALA A 254 ILE A 248 ILE A 185	None	0.88A	3s45B-2wskA: undetectable	3s45B-2wskA: 12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2z2z	TK-SUBTILISIN PRECURSOR (Thermococcus kodakarensis)	PF00082 (Peptidase_S8)	5	GLY A 255 ALA A 254 ILE A 249 ILE A 200 ILE A 204	None	0.99A	3s45B-2z2zA: undetectable	3s45B-2z2zA: 14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3c5w	PP2A A SUBUNIT (Homo sapiens)	PF02985 (HEAT) PF13646 (HEAT_2)	5	LEU A 567 ALA A 582 GLY A 548 ILE A 547 ILE A 563	None	0.79A	3s45B-3c5wA: undetectable	3s45B-3c5wA: 18.50
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.	3ctt	MALTASE-GLUCOAMYLASE (Homo sapiens)	PF00088 (Trefoil) PF01055 (Glyco_hydro_31) PF16863 (NtCtMGAM_N)	5	LEU A 754 ALA A 764 ASP A 759 ILE A 816 ILE A 756	None	0.95A	3s45B-3cttA: undetectable	3s45B-3cttA: 9.91
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.	3dto	BH2835 PROTEIN (Bacillus halodurans)	PF01966 (HD)	5	ALA A 54 ILE A 100 ILE A 30 ILE A 61 ILE A 97	None	0.84A	3s45B-3dtoA: undetectable	3s45B-3dtoA: 20.55
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.	3gve	YFKN PROTEIN (Bacillus subtilis)	PF00149 (Metallophos)	5	GLY A 121 ALA A 122 ASP A 123 ILE A 89 ILE A 126	None	0.65A	3s45B-3gveA: undetectable	3s45B-3gveA: 17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3h6t	GLUTAMATE RECEPTOR 2 (Rattus norvegicus)	PF10613 (Lig_chan-Glu_bd)	5	LEU A 39 ALA A 237 GLY A 231 ILE A 87 ILE A 43	None	0.87A	3s45B-3h6tA: undetectable	3s45B-3h6tA: 17.57
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.	3hkz	DNA-DIRECTED RNA POLYMERASE SUBUNIT A' (Sulfolobus solfataricus)	PF00623 (RNA_pol_Rpb1_2) PF04983 (RNA_pol_Rpb1_3) PF04997 (RNA_pol_Rpb1_1) PF04998 (RNA_pol_Rpb1_5) PF05000 (RNA_pol_Rpb1_4)	5	GLY A 712 ALA A 711 ILE A 665 GLY A 748 ILE A 661	None	0.96A	3s45B-3hkzA: 2.6	3s45B-3hkzA: 7.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	None	0.48A	3s45B-3mwsA: 19.1	3s45B-3mwsA: 48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 ILE A 84	None	0.40A	3s45B-3mwsA: 19.1	3s45B-3mwsA: 48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3one	ADENOSYLHOMOCYSTEINA SE (Lupinus luteus)	PF00670 (AdoHcyase_NAD) PF05221 (AdoHcyase)	5	GLY A 269 ALA A 268 ILE A 331 ILE A 348 ILE A 330	NAD A 501 (-3.6A) NAD A 501 ( 4.8A) None NAD A 501 (-4.4A) NAD A 501 (-4.8A)	0.96A	3s45B-3oneA: undetectable	3s45B-3oneA: 13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3p9n	POSSIBLE METHYLTRANSFERASE (METHYLASE) (Mycobacterium tuberculosis)	PF03602 (Cons_hypoth95)	5	GLY A 93 ALA A 94 ILE A 82 GLY A 58 ILE A 86	None	0.87A	3s45B-3p9nA: undetectable	3s45B-3p9nA: 18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	5	LEU A 30 ASP A 32 GLY A 34 ALA A 35 GLY A 56	None 3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) 3TL A 126 (-3.4A)	0.30A	3s45B-3slzA: 12.2	3s45B-3slzA: 25.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	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	0.70A	3s45B-3t2yA: undetectable	3s45B-3t2yA: 13.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	0.29A	3s45B-3t3cA: 18.9	3s45B-3t3cA: 50.51
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	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 50 ILE A 84	None 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 (-3.3A) 017 A 201 (-4.7A)	0.44A	3s45B-3ttpA: 19.7	3s45B-3ttpA: 52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 32 GLY A 49 ILE A 50 ILE A 84	None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) None 017 A 201 (-3.0A) 017 A 201 (-3.3A) 017 A 201 (-4.7A)	0.47A	3s45B-3ttpA: 19.7	3s45B-3ttpA: 52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 32 GLY A 49 ILE A 50	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) None 017 A 202 (-2.9A) 017 A 201 ( 3.5A)	0.46A	3s45B-3u7sA: 19.3	3s45B-3u7sA: 47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3uhl	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 32	None	0.38A	3s45B-3uhlA: 16.6	3s45B-3uhlA: 49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ddq	DNA GYRASE SUBUNIT A (Bacillus subtilis)	PF00521 (DNA_topoisoIV)	5	ALA A 233 GLY A 215 ILE A 213 ILE A 183 ILE A 332	None	0.88A	3s45B-4ddqA: undetectable	3s45B-4ddqA: 12.39
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.	4hvl	MEMBRANE-ANCHORED MYCOSIN MYCP1 (Mycolicibacterium thermoresistibile)	PF00082 (Peptidase_S8)	5	GLY A 195 ALA A 196 GLY A 106 ILE A 188 ILE A 199	None	0.85A	3s45B-4hvlA: undetectable	3s45B-4hvlA: 13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ida	RIPENING-INDUCED PROTEIN (Fragaria vesca)	PF08240 (ADH_N) PF13602 (ADH_zinc_N_2)	5	LEU A 203 GLY A 208 ALA A 209 ASP A 210 ILE A 179	None	0.78A	3s45B-4idaA: undetectable	3s45B-4idaA: 16.24
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.	4inj	LMO1638 PROTEIN (Listeria monocytogenes)	PF02016 (Peptidase_S66)	5	LEU A 162 ALA A 309 GLY A 306 ILE A 305 ILE A 321	None	0.94A	3s45B-4injA: undetectable	3s45B-4injA: 16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4jrm	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Vibrio cholerae)	no annotation	5	LEU D 147 GLY D 189 GLY D 235 ILE D 79 ILE D 143	None	0.72A	3s45B-4jrmD: undetectable	3s45B-4jrmD: 15.82
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.	4lac	PP2A SCAFFOLD SUBUNIT A, TRUNCATED, AN INTERNAL DELETION OF PP2A A (Homo sapiens)	PF02985 (HEAT) PF13646 (HEAT_2)	5	LEU A 567 ALA A 582 GLY A 548 ILE A 547 ILE A 563	None	0.70A	3s45B-4lacA: undetectable	3s45B-4lacA: 18.06
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.	4lvc	S-ADENOSYL-L-HOMOCYS TEINE HYDROLASE (SAHASE) (Bradyrhizobium elkanii)	PF00670 (AdoHcyase_NAD) PF05221 (AdoHcyase)	5	GLY A 261 ALA A 260 ILE A 323 ILE A 340 ILE A 322	NAD A 503 ( 3.8A) NAD A 503 ( 4.7A) None NAD A 503 (-4.3A) NAD A 503 (-4.7A)	0.99A	3s45B-4lvcA: undetectable	3s45B-4lvcA: 13.53
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.	4na3	POLYKETIDE SYNTHASE PKSJ (Bacillus subtilis)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C) PF16197 (KAsynt_C_assoc)	5	LEU A 180 GLY A 201 ALA A 200 ILE A 12 ILE A 183	None	0.90A	3s45B-4na3A: undetectable	3s45B-4na3A: 14.16
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	ALA A 28 ASP A 29 ASP A 30 GLY A 48 ILE A 84	RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) RIT A 500 (-4.8A) RIT A 500 (-4.3A)	0.68A	3s45B-4njvA: 18.5	3s45B-4njvA: 47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) RIT A 500 (-4.3A)	0.48A	3s45B-4njvA: 18.5	3s45B-4njvA: 47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 50 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.3A) RIT A 500 (-4.3A)	0.48A	3s45B-4njvA: 18.5	3s45B-4njvA: 47.47
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 GLY A 49 ILE A 50 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.4A) RIT A 500 (-4.3A) RIT A 500 (-4.3A)	0.40A	3s45B-4njvA: 18.5	3s45B-4njvA: 47.47
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.	4qmk	TYPE III SECRETION SYSTEM EFFECTOR PROTEIN EXOU (Pseudomonas fluorescens)	PF01734 (Patatin)	5	LEU A 185 GLY A 212 ALA A 213 ILE A 188 ILE A 184	None	0.88A	3s45B-4qmkA: undetectable	3s45B-4qmkA: 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.	4rgh	PROTEIN DDI1 HOMOLOG 2 (Homo sapiens)	PF09668 (Asp_protease)	5	ASP A 220 GLY A 222 ALA A 223 ILE A 227 GLY A 252	None	0.87A	3s45B-4rghA: 10.9	3s45B-4rghA: 18.93
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.	4ttp	DEPHOSPHO-COA KINASE (Legionella pneumophila)	PF01121 (CoaE)	5	ALA A 175 ASP A 176 ASP A 177 GLY A 12 ILE A 118	None	0.84A	3s45B-4ttpA: undetectable	3s45B-4ttpA: 18.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ydf	HTLV-1 PROTEASE (Primate T-lymphotropic virus 1)	PF00077 (RVP)	6	LEU A 30 ASP A 32 GLY A 34 ALA A 35 ASP A 36 ILE A 100	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) 4B1 A 201 (-4.8A)	0.35A	3s45B-4ydfA: 12.8	3s45B-4ydfA: 35.04
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	LEU A 30 ASP A 32 GLY A 34 ALA A 35 GLY A 58 ILE A 100	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-3.4A) 4B1 A 201 (-4.8A)	0.55A	3s45B-4ydfA: 12.8	3s45B-4ydfA: 35.04
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.	4yvd	PLEIOTROPIC REGULATOR 1 (Homo sapiens)	PF00400 (WD40)	5	LEU A 478 GLY A 236 ILE A 230 ILE A 210 ILE A 486	None	0.78A	3s45B-4yvdA: undetectable	3s45B-4yvdA: 17.03
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.	4zdl	O-PHOSPHOSERYL-TRNA( SEC) SELENIUM TRANSFERASE (Homo sapiens)	PF05889 (SepSecS)	5	ASP A 62 GLY A 110 GLY A 96 ILE A 95 ILE A 92	None	0.88A	3s45B-4zdlA: undetectable	3s45B-4zdlA: 14.03
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.	5ao8	SOLUBLE LYTIC TRANGLYCOSILASE B3 (Pseudomonas aeruginosa)	PF01471 (PG_binding_1) PF13406 (SLT_2)	5	GLY A 201 ALA A 202 GLY A 153 ILE A 196 ILE A 228	None NAG A 999 ( 4.1A) NAG A 999 (-3.2A) None None	0.97A	3s45B-5ao8A: undetectable	3s45B-5ao8A: 11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5b0h	LEUKOCYTE CELL-DERIVED CHEMOTAXIN-2 (Homo sapiens)	PF01551 (Peptidase_M23)	5	GLY A 99 ALA A 50 ILE A 56 GLY A 103 ILE A 96	None	0.95A	3s45B-5b0hA: undetectable	3s45B-5b0hA: 20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 84	None	0.68A	3s45B-5b18A: 18.5	3s45B-5b18A: 47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 32 ILE A 84	None	0.55A	3s45B-5b18A: 18.5	3s45B-5b18A: 47.47
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.	5erb	POLYKETIDE SYNTHASE (Bacillus amyloliquefaciens)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C) PF16197 (KAsynt_C_assoc)	5	LEU A 187 GLY A 208 ALA A 207 ILE A 14 ILE A 190	None	0.94A	3s45B-5erbA: undetectable	3s45B-5erbA: 9.93
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.	5g5g	PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT (Escherichia coli)	PF00111 (Fer2) PF01799 (Fer2_2)	5	GLY A 211 ALA A 212 ASP A 154 GLY A 159 ILE A 216	None None None FES A 230 (-4.2A) None	0.74A	3s45B-5g5gA: undetectable	3s45B-5g5gA: 19.91
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.	5gan	PRE-MRNA-PROCESSING FACTOR 31 (Saccharomyces cerevisiae)	PF01798 (Nop) PF09785 (Prp31_C)	5	GLY F 247 ILE F 222 GLY F 215 ILE F 214 ILE F 225	None	0.88A	3s45B-5ganF: undetectable	3s45B-5ganF: 11.75
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.	5h02	GLYCINE SARCOSINE N-METHYLTRANSFERASE (Methanohalophilus portucalensis)	PF13649 (Methyltransf_25)	5	LEU A 55 GLY A 81 ALA A 80 ILE A 51 ILE A 52	None	0.97A	3s45B-5h02A: undetectable	3s45B-5h02A: 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.	5il5	MLND (Bacillus velezensis)	PF14765 (PS-DH)	5	GLY A1310 ALA A1309 ILE A1278 ILE A1303 ILE A1341	None	0.76A	3s45B-5il5A: undetectable	3s45B-5il5A: 15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ldn	HEXON PROTEIN,HEXON CAPSID (Human mastadenovirus C)	PF01065 (Adeno_hexon) PF03678 (Adeno_hexon_C)	5	GLY A 220 ALA A 171 ILE A 215 GLY A 206 ILE A 205	None	0.87A	3s45B-5ldnA: undetectable	3s45B-5ldnA: 9.06
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.	5mpd	26S PROTEASOME REGULATORY SUBUNIT RPN2 (Saccharomyces cerevisiae)	PF01851 (PC_rep) PF13646 (HEAT_2)	5	GLY N 698 ALA N 699 GLY N 704 ILE N 705 ILE N 678	None	0.77A	3s45B-5mpdN: undetectable	3s45B-5mpdN: 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.	5n4c	PROLYL OLIGOPEPTIDASE (Galerina marginata)	no annotation	5	ALA A 711 GLY A 716 ILE A 718 ILE A 511 ILE A 510	None	0.91A	3s45B-5n4cA: undetectable	3s45B-5n4cA: 8.65
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.	5o7g	ALPHA/BETA HYDROLASE FAMILY PROTEIN (Bacillus coagulans)	no annotation	5	GLY A 56 ALA A 55 ILE A 49 ILE A 300 ILE A 301	None	0.82A	3s45B-5o7gA: undetectable	3s45B-5o7gA: 22.86
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.	5t0h	PROTEASOME SUBUNIT BETA TYPE-7 (Homo sapiens)	PF00227 (Proteasome) PF12465 (Pr_beta_C)	5	GLY O 5 ALA O 4 ILE O 34 ILE O 173 ILE O 159	None	0.85A	3s45B-5t0hO: undetectable	3s45B-5t0hO: 15.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 ILE A 84	None	0.48A	3s45B-5t2zA: 19.1	3s45B-5t2zA: 49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5u25	DIHYDROLIPOAMIDE DEHYDROGENASE (E3 COMPONENT OF PYRUVATE AND 2-OXOGLUTARATE DEHYDROGENASE COMPLEXES) (Neisseria gonorrhoeae)	PF02852 (Pyr_redox_dim) PF07992 (Pyr_redox_2)	5	ALA A 550 ILE A 574 GLY A 533 ILE A 522 ILE A 560	None	0.78A	3s45B-5u25A: undetectable	3s45B-5u25A: 10.57
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.	5ug1	ACYLTRANSFERASE (Streptococcus pneumoniae)	no annotation	5	LEU A 594 GLY A 436 ILE A 435 ILE A 514 ILE A 590	None	0.75A	3s45B-5ug1A: undetectable	3s45B-5ug1A: 19.77
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.	5vmb	SERINE HYDROXYMETHYLTRANSFE RASE (Acinetobacter baumannii)	PF00464 (SHMT)	5	LEU A 320 ALA A 332 GLY A 337 ILE A 363 ILE A 361	None	0.68A	3s45B-5vmbA: undetectable	3s45B-5vmbA: 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.	5xbj	FLAGELLAR HOOK-ASSOCIATED PROTEIN FLGK (Campylobacter jejuni)	no annotation	5	LEU A 360 ALA A 461 ILE A 451 ILE A 391 ILE A 367	None	0.84A	3s45B-5xbjA: undetectable	3s45B-5xbjA: 19.23
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE L 83 ILE L 86	BCR L 205 (-3.7A) None None None None	0.84A	3s45B-5zgbL: undetectable	3s45B-5zgbL: 18.63
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.	6cuq	MACROPHAGE MIGRATION INHIBITORY FACTOR-LIKE PROTEIN (Entamoeba histolytica)	no annotation	5	LEU A 83 ALA A 10 GLY A 48 ILE A 94 ILE A 89	None	0.76A	3s45B-6cuqA: undetectable	3s45B-6cuqA: 21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	LEU A 28 ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) 3TL A 201 (-3.4A)	0.31A	3s45B-6fivA: 15.8	3s45B-6fivA: 31.09
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 GLY A 32 ALA A 33 ASP A 34 ILE A 37 GLY A 58	None 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) 3TL A 201 ( 4.8A) 3TL A 201 (-3.4A)	0.55A	3s45B-6fivA: 15.8	3s45B-6fivA: 31.09
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.	6gbn	- (-)	no annotation	5	GLY A 223 ALA A 222 ILE A 285 ILE A 302 ILE A 284	NAD A 502 ( 3.7A) NAD A 502 ( 4.6A) None NAD A 502 (-4.3A) NAD A 502 (-4.6A)	0.96A	3s45B-6gbnA: undetectable	3s45B-6gbnA: undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 82 ILE A 84	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 (-4.6A) None	0.54A	3s45B-6upjA: 19.2	3s45B-6upjA: 98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ILE A 32 ILE A 84	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None None	0.57A	3s45B-6upjA: 19.2	3s45B-6upjA: 98.99
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 ASP A 29 ASP A 30 ILE A 50 ILE A 82 ILE A 84	NIU A 100 (-2.8A) NIU A 100 (-4.5A) None None NIU A 100 (-3.9A) NIU A 100 (-4.6A) None	0.61A	3s45B-6upjA: 19.2	3s45B-6upjA: 98.99
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 49 ILE A 82 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None NIU A 100 ( 3.8A) NIU A 100 (-4.6A) None	0.69A	3s45B-6upjA: 19.2	3s45B-6upjA: 98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ILE A 32 GLY A 49 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None NIU A 100 ( 3.8A) None	0.65A	3s45B-6upjA: 19.2	3s45B-6upjA: 98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ASP A 30 GLY A 49 ILE A 50 ILE A 82 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) NIU A 100 (-4.6A) None	0.79A	3s45B-6upjA: 19.2	3s45B-6upjA: 98.99

[["3S45_B_478B201_2","1bhy","Neisseria meningitidis","P64K","PF02852(Pyr_redox_dim);PF07992(Pyr_redox_2)",5,"ALA A 555;ILE A 579;GLY A 538;ILE A 527;ILE A 565","None","0.79A","3s45B-1bhyA:undetectable","3s45B-1bhyA:12.37"],["3S45_B_478B201_2","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"LEU E  30;ASP E  32;GLY E  34;ASP E  37;ILE E 120","None","0.61A","3s45B-1cziE:7.2","3s45B-1cziE:15.82"],["3S45_B_478B201_2","1f3l","Rattus norvegicus","PROTEIN ARGININE METHYLTRANSFERASE PRMT3","PF06325(PrmA)",5,"LEU A 266;ASP A 258;ALA A 280;ILE A 286;ILE A 265","SAH A 529 ( 4.4A);SAH A 529 ( 4.4A);None;None;SAH A 529 (-4.9A)","0.93A","3s45B-1f3lA:undetectable","3s45B-1f3lA:14.15"],["3S45_B_478B201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;ILE A  84","A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 (-4.1A);A79 A 800 (-3.8A)","0.73A","3s45B-1hvcA:12.4","3s45B-1hvcA:27.09"],["3S45_B_478B201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A)","1.28A","3s45B-1hvcA:12.4","3s45B-1hvcA:27.09"],["3S45_B_478B201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A);A79 A 800 (-3.8A)","0.55A","3s45B-1hvcA:12.4","3s45B-1hvcA:27.09"],["3S45_B_478B201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 ( 3.7A);A79 A 800 (-3.6A)","0.46A","3s45B-1hvcA:12.4","3s45B-1hvcA:27.09"],["3S45_B_478B201_2","1hvc","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;GLY A  49;ILE A  50;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 ( 4.9A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 (-3.6A)","0.47A","3s45B-1hvcA:12.4","3s45B-1hvcA:27.09"],["3S45_B_478B201_2","1hyh","Weissella confusa","L-2-HYDROXYISOCAPROATE DEHYDROGENASE","PF00056(Ldh_1_N);PF02866(Ldh_1_C)",5,"ALA A  46;ASP A  47;ASP A  48;ILE A  94;ILE A  24","None","0.99A","3s45B-1hyhA:undetectable","3s45B-1hyhA:15.76"],["3S45_B_478B201_2","1iyx","Enterococcus hirae","ENOLASE","PF00113(Enolase_C);PF03952(Enolase_N)",5,"ALA A 109;ILE A  73;ILE A  94;ILE A  78;ILE A  74","None","0.98A","3s45B-1iyxA:undetectable","3s45B-1iyxA:17.90"],["3S45_B_478B201_2","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  84","None","0.49A","3s45B-1q9pA:9.8","3s45B-1q9pA:49.47"],["3S45_B_478B201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;ILE A  32;GLY A  48;ILE A  84","None","0.89A","3s45B-1sivA:20.8","3s45B-1sivA:86.87"],["3S45_B_478B201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None","1.28A","3s45B-1sivA:20.8","3s45B-1sivA:86.87"],["3S45_B_478B201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  82","None","0.61A","3s45B-1sivA:20.8","3s45B-1sivA:86.87"],["3S45_B_478B201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  82;ILE A  84","None","0.53A","3s45B-1sivA:20.8","3s45B-1sivA:86.87"],["3S45_B_478B201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  32;GLY A  49;ILE A  50","None","0.57A","3s45B-1sivA:20.8","3s45B-1sivA:86.87"],["3S45_B_478B201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  32;GLY A  49;ILE A  84","None","0.51A","3s45B-1sivA:20.8","3s45B-1sivA:86.87"],["3S45_B_478B201_2","1to3","Salmonella enterica","PUTATIVE ALDOLASE YIHT","PF01791(DeoC)",5,"LEU A 184;GLY A 188;ALA A 189;ASP A 190;ILE A 158","None","0.88A","3s45B-1to3A:undetectable","3s45B-1to3A:16.42"],["3S45_B_478B201_2","1to6","Neisseria meningitidis","GLYCERATE KINASE","PF02595(Gly_kinase)",5,"ALA A 190;ASP A 191;GLY A 244;ILE A 247;ILE A 259","None;None;SO4 A 373 (-3.5A);None;None","0.90A","3s45B-1to6A:undetectable","3s45B-1to6A:15.75"],["3S45_B_478B201_2","1vgw","Neisseria gonorrhoeae","4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL SYNTHASE","PF01128(IspD)",5,"GLY A 173;ALA A 172;ASP A 103;ILE A   6;ILE A 105","None","0.85A","3s45B-1vgwA:undetectable","3s45B-1vgwA:24.20"],["3S45_B_478B201_2","1z45","Saccharomyces cerevisiae","GAL10 BIFUNCTIONAL PROTEIN","PF01263(Aldose_epim);PF16363(GDP_Man_Dehyd)",5,"GLY A 392;GLY A 428;ILE A 427;ILE A 518;ILE A 505","None","0.87A","3s45B-1z45A:undetectable","3s45B-1z45A:10.16"],["3S45_B_478B201_2","2bjr","Ascaris suum","MFP2B","PF12150(MFP2b)",5,"LEU A  73;GLY A  47;ALA A  36;ILE A  16;ILE A  77","None","0.90A","3s45B-2bjrA:undetectable","3s45B-2bjrA:15.82"],["3S45_B_478B201_2","2dws","Rhodobacter sphaeroides","COPPER-CONTAINING NITRITE REDUCTASE","PF00394(Cu-oxidase);PF07732(Cu-oxidase_3)",5,"GLY A 254;ALA A 255;GLY A 347;ILE A 250;ILE A 217","None","0.81A","3s45B-2dwsA:undetectable","3s45B-2dwsA:18.18"],["3S45_B_478B201_2","2dy3","Corynebacterium glutamicum","ALANINE RACEMASE","PF00842(Ala_racemase_C);PF01168(Ala_racemase_N)",5,"GLY A  53;ALA A  54;ASP A  55;ILE A  13;ILE A  49","None","0.89A","3s45B-2dy3A:undetectable","3s45B-2dy3A:15.54"],["3S45_B_478B201_2","2ewn","Escherichia coli","BIRA BIFUNCTIONAL PROTEIN","PF02237(BPL_C);PF03099(BPL_LplA_LipB);PF08279(HTH_11)",5,"GLY A 186;ALA A 185;GLY A 154;ILE A 153;ILE A 207","BTX A 501 (-3.3A);None;None;None;None","0.78A","3s45B-2ewnA:undetectable","3s45B-2ewnA:16.98"],["3S45_B_478B201_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  55;ILE A  89","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);LP1 A 201 (-3.4A);LP1 A 201 (-4.2A)","0.38A","3s45B-2fmbA:15.7","3s45B-2fmbA:37.61"],["3S45_B_478B201_2","2oby","Homo sapiens","PUTATIVE QUINONE OXIDOREDUCTASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"LEU A 145;GLY A 189;ALA A 188;ILE A 167;GLY A 185","None","0.89A","3s45B-2obyA:undetectable","3s45B-2obyA:13.04"],["3S45_B_478B201_2","2rfb","Picrophilus torridus","CYTOCHROME P450","PF00067(p450)",5,"LEU A 205;ALA A 317;ASP A 320;ILE A 115;ILE A 206","HEM A 410 ( 4.0A);None;None;None;None","0.89A","3s45B-2rfbA:undetectable","3s45B-2rfbA:25.63"],["3S45_B_478B201_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  32;GLY A  49;ILE A  50;ILE A  84","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-4.5A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 ( 4.2A)","0.54A","3s45B-2rkfA:18.8","3s45B-2rkfA:49.49"],["3S45_B_478B201_2","2rmp","Rhizomucor miehei","MUCOROPEPSIN","PF00026(Asp)",5,"ASP A 237;GLY A 239;ILE A 244;GLY A  83;ILE A 329","None","0.88A","3s45B-2rmpA:6.7","3s45B-2rmpA:13.88"],["3S45_B_478B201_2","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",6,"ASP A  37;GLY A  39;ALA A  40;ASP A  41;ILE A  44;ILE A 108","None","0.53A","3s45B-2rspA:12.9","3s45B-2rspA:29.13"],["3S45_B_478B201_2","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",6,"LEU A  35;ASP A  37;GLY A  39;ALA A  40;ASP A  41;ILE A 108","None","0.40A","3s45B-2rspA:12.9","3s45B-2rspA:29.13"],["3S45_B_478B201_2","2wsk","Escherichia coli","GLYCOGEN DEBRANCHING ENZYME","PF00128(Alpha-amylase);PF02922(CBM_48)",5,"LEU A 188;GLY A 255;ALA A 254;ILE A 248;ILE A 185","None","0.88A","3s45B-2wskA:undetectable","3s45B-2wskA:12.71"],["3S45_B_478B201_2","2z2z","Thermococcus kodakarensis","TK-SUBTILISIN PRECURSOR","PF00082(Peptidase_S8)",5,"GLY A 255;ALA A 254;ILE A 249;ILE A 200;ILE A 204","None","0.99A","3s45B-2z2zA:undetectable","3s45B-2z2zA:14.25"],["3S45_B_478B201_2","3c5w","Homo sapiens","PP2A A SUBUNIT","PF02985(HEAT);PF13646(HEAT_2)",5,"LEU A 567;ALA A 582;GLY A 548;ILE A 547;ILE A 563","None","0.79A","3s45B-3c5wA:undetectable","3s45B-3c5wA:18.50"],["3S45_B_478B201_2","3ctt","Homo sapiens","MALTASE-GLUCOAMYLASE","PF00088(Trefoil);PF01055(Glyco_hydro_31);PF16863(NtCtMGAM_N)",5,"LEU A 754;ALA A 764;ASP A 759;ILE A 816;ILE A 756","None","0.95A","3s45B-3cttA:undetectable","3s45B-3cttA:9.91"],["3S45_B_478B201_2","3dto","Bacillus halodurans","BH2835 PROTEIN","PF01966(HD)",5,"ALA A  54;ILE A 100;ILE A  30;ILE A  61;ILE A  97","None","0.84A","3s45B-3dtoA:undetectable","3s45B-3dtoA:20.55"],["3S45_B_478B201_2","3gve","Bacillus subtilis","YFKN PROTEIN","PF00149(Metallophos)",5,"GLY A 121;ALA A 122;ASP A 123;ILE A  89;ILE A 126","None","0.65A","3s45B-3gveA:undetectable","3s45B-3gveA:17.27"],["3S45_B_478B201_2","3h6t","Rattus norvegicus","GLUTAMATE RECEPTOR 2","PF10613(Lig_chan-Glu_bd)",5,"LEU A  39;ALA A 237;GLY A 231;ILE A  87;ILE A  43","None","0.87A","3s45B-3h6tA:undetectable","3s45B-3h6tA:17.57"],["3S45_B_478B201_2","3hkz","Sulfolobus solfataricus","DNA-DIRECTED RNA POLYMERASE SUBUNIT A'","PF00623(RNA_pol_Rpb1_2);PF04983(RNA_pol_Rpb1_3);PF04997(RNA_pol_Rpb1_1);PF04998(RNA_pol_Rpb1_5);PF05000(RNA_pol_Rpb1_4)",5,"GLY A 712;ALA A 711;ILE A 665;GLY A 748;ILE A 661","None","0.96A","3s45B-3hkzA:2.6","3s45B-3hkzA:7.70"],["3S45_B_478B201_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  84","None","0.48A","3s45B-3mwsA:19.1","3s45B-3mwsA:48.48"],["3S45_B_478B201_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;ILE A  84","None","0.40A","3s45B-3mwsA:19.1","3s45B-3mwsA:48.48"],["3S45_B_478B201_2","3one","Lupinus luteus","ADENOSYLHOMOCYSTEINASE","PF00670(AdoHcyase_NAD);PF05221(AdoHcyase)",5,"GLY A 269;ALA A 268;ILE A 331;ILE A 348;ILE A 330","NAD A 501 (-3.6A);NAD A 501 ( 4.8A);None;NAD A 501 (-4.4A);NAD A 501 (-4.8A)","0.96A","3s45B-3oneA:undetectable","3s45B-3oneA:13.70"],["3S45_B_478B201_2","3p9n","Mycobacterium tuberculosis","POSSIBLE METHYLTRANSFERASE (METHYLASE)","PF03602(Cons_hypoth95)",5,"GLY A  93;ALA A  94;ILE A  82;GLY A  58;ILE A  86","None","0.87A","3s45B-3p9nA:undetectable","3s45B-3p9nA:18.46"],["3S45_B_478B201_2","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;GLY A  56","None;3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);3TL A 126 (-3.4A)","0.30A","3s45B-3slzA:12.2","3s45B-3slzA:25.71"],["3S45_B_478B201_2","3t2y","Acidithiobacillus ferrooxidans","SULFIDE-QUINONE REDUCTASE, PUTATIVE","PF07992(Pyr_redox_2)",5,"LEU A   7;GLY A 106;ALA A 303;GLY A 281;ILE A 103","FAD A 500 (-4.7A);FAD A 500 (-3.1A);None;None;None","0.70A","3s45B-3t2yA:undetectable","3s45B-3t2yA:13.17"],["3S45_B_478B201_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);017 A 201 (-3.3A)","0.29A","3s45B-3t3cA:18.9","3s45B-3t3cA:50.51"],["3S45_B_478B201_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  50;ILE A  84","None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-4.6A);017 A 201 (-3.3A);017 A 201 (-4.7A)","0.44A","3s45B-3ttpA:19.7","3s45B-3ttpA:52.53"],["3S45_B_478B201_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  32;GLY A  49;ILE A  50;ILE A  84","None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);None;017 A 201 (-3.0A);017 A 201 (-3.3A);017 A 201 (-4.7A)","0.47A","3s45B-3ttpA:19.7","3s45B-3ttpA:52.53"],["3S45_B_478B201_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  32;GLY A  49;ILE A  50","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);None;017 A 202 (-2.9A);017 A 201 ( 3.5A)","0.46A","3s45B-3u7sA:19.3","3s45B-3u7sA:47.47"],["3S45_B_478B201_2","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  32","None","0.38A","3s45B-3uhlA:16.6","3s45B-3uhlA:49.49"],["3S45_B_478B201_2","4ddq","Bacillus subtilis","DNA GYRASE SUBUNIT A","PF00521(DNA_topoisoIV)",5,"ALA A 233;GLY A 215;ILE A 213;ILE A 183;ILE A 332","None","0.88A","3s45B-4ddqA:undetectable","3s45B-4ddqA:12.39"],["3S45_B_478B201_2","4hvl","Mycolicibacterium thermoresistibile","MEMBRANE-ANCHORED MYCOSIN MYCP1","PF00082(Peptidase_S8)",5,"GLY A 195;ALA A 196;GLY A 106;ILE A 188;ILE A 199","None","0.85A","3s45B-4hvlA:undetectable","3s45B-4hvlA:13.83"],["3S45_B_478B201_2","4ida","Fragaria vesca","RIPENING-INDUCED PROTEIN","PF08240(ADH_N);PF13602(ADH_zinc_N_2)",5,"LEU A 203;GLY A 208;ALA A 209;ASP A 210;ILE A 179","None","0.78A","3s45B-4idaA:undetectable","3s45B-4idaA:16.24"],["3S45_B_478B201_2","4inj","Listeria monocytogenes","LMO1638 PROTEIN","PF02016(Peptidase_S66)",5,"LEU A 162;ALA A 309;GLY A 306;ILE A 305;ILE A 321","None","0.94A","3s45B-4injA:undetectable","3s45B-4injA:16.23"],["3S45_B_478B201_2","4jrm","Vibrio cholerae","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","no annotation",5,"LEU D 147;GLY D 189;GLY D 235;ILE D  79;ILE D 143","None","0.72A","3s45B-4jrmD:undetectable","3s45B-4jrmD:15.82"],["3S45_B_478B201_2","4lac","Homo sapiens","PP2A SCAFFOLD SUBUNIT A, TRUNCATED, AN INTERNAL DELETION OF PP2A A","PF02985(HEAT);PF13646(HEAT_2)",5,"LEU A 567;ALA A 582;GLY A 548;ILE A 547;ILE A 563","None","0.70A","3s45B-4lacA:undetectable","3s45B-4lacA:18.06"],["3S45_B_478B201_2","4lvc","Bradyrhizobium elkanii","S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE (SAHASE)","PF00670(AdoHcyase_NAD);PF05221(AdoHcyase)",5,"GLY A 261;ALA A 260;ILE A 323;ILE A 340;ILE A 322","NAD A 503 ( 3.8A);NAD A 503 ( 4.7A);None;NAD A 503 (-4.3A);NAD A 503 (-4.7A)","0.99A","3s45B-4lvcA:undetectable","3s45B-4lvcA:13.53"],["3S45_B_478B201_2","4na3","Bacillus subtilis","POLYKETIDE SYNTHASE PKSJ","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C);PF16197(KAsynt_C_assoc)",5,"LEU A 180;GLY A 201;ALA A 200;ILE A  12;ILE A 183","None","0.90A","3s45B-4na3A:undetectable","3s45B-4na3A:14.16"],["3S45_B_478B201_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;ILE A  84","RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);RIT A 500 (-4.8A);RIT A 500 (-4.3A)","0.68A","3s45B-4njvA:18.5","3s45B-4njvA:47.47"],["3S45_B_478B201_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);RIT A 500 (-4.3A)","0.48A","3s45B-4njvA:18.5","3s45B-4njvA:47.47"],["3S45_B_478B201_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  50;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.3A);RIT A 500 (-4.3A)","0.48A","3s45B-4njvA:18.5","3s45B-4njvA:47.47"],["3S45_B_478B201_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;GLY A  49;ILE A  50;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.4A);RIT A 500 (-4.3A);RIT A 500 (-4.3A)","0.40A","3s45B-4njvA:18.5","3s45B-4njvA:47.47"],["3S45_B_478B201_2","4qmk","Pseudomonas fluorescens","TYPE III SECRETION SYSTEM EFFECTOR PROTEIN EXOU","PF01734(Patatin)",5,"LEU A 185;GLY A 212;ALA A 213;ILE A 188;ILE A 184","None","0.88A","3s45B-4qmkA:undetectable","3s45B-4qmkA:9.94"],["3S45_B_478B201_2","4rgh","Homo sapiens","PROTEIN DDI1 HOMOLOG 2","PF09668(Asp_protease)",5,"ASP A 220;GLY A 222;ALA A 223;ILE A 227;GLY A 252","None","0.87A","3s45B-4rghA:10.9","3s45B-4rghA:18.93"],["3S45_B_478B201_2","4ttp","Legionella pneumophila","DEPHOSPHO-COA KINASE","PF01121(CoaE)",5,"ALA A 175;ASP A 176;ASP A 177;GLY A  12;ILE A 118","None","0.84A","3s45B-4ttpA:undetectable","3s45B-4ttpA:18.78"],["3S45_B_478B201_2","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",6,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;ASP A  36;ILE A 100","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);4B1 A 201 (-4.8A)","0.35A","3s45B-4ydfA:12.8","3s45B-4ydfA:35.04"],["3S45_B_478B201_2","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",6,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;GLY A  58;ILE A 100","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-3.4A);4B1 A 201 (-4.8A)","0.55A","3s45B-4ydfA:12.8","3s45B-4ydfA:35.04"],["3S45_B_478B201_2","4yvd","Homo sapiens","PLEIOTROPIC REGULATOR 1","PF00400(WD40)",5,"LEU A 478;GLY A 236;ILE A 230;ILE A 210;ILE A 486","None","0.78A","3s45B-4yvdA:undetectable","3s45B-4yvdA:17.03"],["3S45_B_478B201_2","4zdl","Homo sapiens","O-PHOSPHOSERYL-TRNA(SEC) SELENIUM TRANSFERASE","PF05889(SepSecS)",5,"ASP A  62;GLY A 110;GLY A  96;ILE A  95;ILE A  92","None","0.88A","3s45B-4zdlA:undetectable","3s45B-4zdlA:14.03"],["3S45_B_478B201_2","5ao8","Pseudomonas aeruginosa","SOLUBLE LYTIC TRANGLYCOSILASE B3","PF01471(PG_binding_1);PF13406(SLT_2)",5,"GLY A 201;ALA A 202;GLY A 153;ILE A 196;ILE A 228","None;NAG A 999 ( 4.1A);NAG A 999 (-3.2A);None;None","0.97A","3s45B-5ao8A:undetectable","3s45B-5ao8A:11.89"],["3S45_B_478B201_2","5b0h","Homo sapiens","LEUKOCYTE CELL-DERIVED CHEMOTAXIN-2","PF01551(Peptidase_M23)",5,"GLY A  99;ALA A  50;ILE A  56;GLY A 103;ILE A  96","None","0.95A","3s45B-5b0hA:undetectable","3s45B-5b0hA:20.27"],["3S45_B_478B201_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  84","None","0.68A","3s45B-5b18A:18.5","3s45B-5b18A:47.47"],["3S45_B_478B201_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  32;ILE A  84","None","0.55A","3s45B-5b18A:18.5","3s45B-5b18A:47.47"],["3S45_B_478B201_2","5erb","Bacillus amyloliquefaciens","POLYKETIDE SYNTHASE","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C);PF16197(KAsynt_C_assoc)",5,"LEU A 187;GLY A 208;ALA A 207;ILE A  14;ILE A 190","None","0.94A","3s45B-5erbA:undetectable","3s45B-5erbA:9.93"],["3S45_B_478B201_2","5g5g","Escherichia coli","PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT","PF00111(Fer2);PF01799(Fer2_2)",5,"GLY A 211;ALA A 212;ASP A 154;GLY A 159;ILE A 216","None;None;None;FES A 230 (-4.2A);None","0.74A","3s45B-5g5gA:undetectable","3s45B-5g5gA:19.91"],["3S45_B_478B201_2","5gan","Saccharomyces cerevisiae","PRE-MRNA-PROCESSING FACTOR 31","PF01798(Nop);PF09785(Prp31_C)",5,"GLY F 247;ILE F 222;GLY F 215;ILE F 214;ILE F 225","None","0.88A","3s45B-5ganF:undetectable","3s45B-5ganF:11.75"],["3S45_B_478B201_2","5h02","Methanohalophilus portucalensis","GLYCINE SARCOSINE N-METHYLTRANSFERASE","PF13649(Methyltransf_25)",5,"LEU A  55;GLY A  81;ALA A  80;ILE A  51;ILE A  52","None","0.97A","3s45B-5h02A:undetectable","3s45B-5h02A:13.07"],["3S45_B_478B201_2","5il5","Bacillus velezensis","MLND","PF14765(PS-DH)",5,"GLY A1310;ALA A1309;ILE A1278;ILE A1303;ILE A1341","None","0.76A","3s45B-5il5A:undetectable","3s45B-5il5A:15.08"],["3S45_B_478B201_2","5ldn","Human mastadenovirus C","HEXON PROTEIN,HEXON CAPSID","PF01065(Adeno_hexon);PF03678(Adeno_hexon_C)",5,"GLY A 220;ALA A 171;ILE A 215;GLY A 206;ILE A 205","None","0.87A","3s45B-5ldnA:undetectable","3s45B-5ldnA:9.06"],["3S45_B_478B201_2","5mpd","Saccharomyces cerevisiae","26S PROTEASOME REGULATORY SUBUNIT RPN2","PF01851(PC_rep);PF13646(HEAT_2)",5,"GLY N 698;ALA N 699;GLY N 704;ILE N 705;ILE N 678","None","0.77A","3s45B-5mpdN:undetectable","3s45B-5mpdN:7.72"],["3S45_B_478B201_2","5n4c","Galerina marginata","PROLYL OLIGOPEPTIDASE","no annotation",5,"ALA A 711;GLY A 716;ILE A 718;ILE A 511;ILE A 510","None","0.91A","3s45B-5n4cA:undetectable","3s45B-5n4cA:8.65"],["3S45_B_478B201_2","5o7g","Bacillus coagulans","ALPHA\/BETA HYDROLASE FAMILY PROTEIN","no annotation",5,"GLY A  56;ALA A  55;ILE A  49;ILE A 300;ILE A 301","None","0.82A","3s45B-5o7gA:undetectable","3s45B-5o7gA:22.86"],["3S45_B_478B201_2","5t0h","Homo sapiens","PROTEASOME SUBUNIT BETA TYPE-7","PF00227(Proteasome);PF12465(Pr_beta_C)",5,"GLY O   5;ALA O   4;ILE O  34;ILE O 173;ILE O 159","None","0.85A","3s45B-5t0hO:undetectable","3s45B-5t0hO:15.41"],["3S45_B_478B201_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;ILE A  84","None","0.48A","3s45B-5t2zA:19.1","3s45B-5t2zA:49.49"],["3S45_B_478B201_2","5u25","Neisseria gonorrhoeae","DIHYDROLIPOAMIDE DEHYDROGENASE (E3 COMPONENT OF PYRUVATE AND 2-OXOGLUTARATE DEHYDROGENASE COMPLEXES)","PF02852(Pyr_redox_dim);PF07992(Pyr_redox_2)",5,"ALA A 550;ILE A 574;GLY A 533;ILE A 522;ILE A 560","None","0.78A","3s45B-5u25A:undetectable","3s45B-5u25A:10.57"],["3S45_B_478B201_2","5ug1","Streptococcus pneumoniae","ACYLTRANSFERASE","no annotation",5,"LEU A 594;GLY A 436;ILE A 435;ILE A 514;ILE A 590","None","0.75A","3s45B-5ug1A:undetectable","3s45B-5ug1A:19.77"],["3S45_B_478B201_2","5vmb","Acinetobacter baumannii","SERINE HYDROXYMETHYLTRANSFERASE","PF00464(SHMT)",5,"LEU A 320;ALA A 332;GLY A 337;ILE A 363;ILE A 361","None","0.68A","3s45B-5vmbA:undetectable","3s45B-5vmbA:13.79"],["3S45_B_478B201_2","5xbj","Campylobacter jejuni","FLAGELLAR HOOK-ASSOCIATED PROTEIN FLGK","no annotation",5,"LEU A 360;ALA A 461;ILE A 451;ILE A 391;ILE A 367","None","0.84A","3s45B-5xbjA:undetectable","3s45B-5xbjA:19.23"],["3S45_B_478B201_2","5zgb","Cyanidioschyzon merolae","PSAL","no annotation",5,"LEU L  89;GLY L  51;ALA L 125;ILE L  83;ILE L  86","BCR L 205 (-3.7A);None;None;None;None","0.84A","3s45B-5zgbL:undetectable","3s45B-5zgbL:18.63"],["3S45_B_478B201_2","6cuq","Entamoeba histolytica","MACROPHAGE MIGRATION INHIBITORY FACTOR-LIKE PROTEIN","no annotation",5,"LEU A  83;ALA A  10;GLY A  48;ILE A  94;ILE A  89","None","0.76A","3s45B-6cuqA:undetectable","3s45B-6cuqA:21.50"],["3S45_B_478B201_2","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"LEU A  28;ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);3TL A 201 (-3.4A)","0.31A","3s45B-6fivA:15.8","3s45B-6fivA:31.09"],["3S45_B_478B201_2","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"LEU A  28;GLY A  32;ALA A  33;ASP A  34;ILE A  37;GLY A  58","None;3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);3TL A 201 ( 4.8A);3TL A 201 (-3.4A)","0.55A","3s45B-6fivA:15.8","3s45B-6fivA:31.09"],["3S45_B_478B201_2","6gbn","-","-","no annotation",5,"GLY A 223;ALA A 222;ILE A 285;ILE A 302;ILE A 284","NAD A 502 ( 3.7A);NAD A 502 ( 4.6A);None;NAD A 502 (-4.3A);NAD A 502 (-4.6A)","0.96A","3s45B-6gbnA:undetectable","3s45B-6gbnA:undetectable"],["3S45_B_478B201_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;ILE A  82;ILE A  84","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 (-4.6A);None","0.54A","3s45B-6upjA:19.2","3s45B-6upjA:98.99"],["3S45_B_478B201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ILE A  32;ILE A  84","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;None","0.57A","3s45B-6upjA:19.2","3s45B-6upjA:98.99"],["3S45_B_478B201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ASP A  29;ASP A  30;ILE A  50;ILE A  82;ILE A  84","NIU A 100 (-2.8A);NIU A 100 (-4.5A);None;None;NIU A 100 (-3.9A);NIU A 100 (-4.6A);None","0.61A","3s45B-6upjA:19.2","3s45B-6upjA:98.99"],["3S45_B_478B201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  30;GLY A  49;ILE A  82;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;NIU A 100 ( 3.8A);NIU A 100 (-4.6A);None","0.69A","3s45B-6upjA:19.2","3s45B-6upjA:98.99"],["3S45_B_478B201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ILE A  32;GLY A  49;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;NIU A 100 ( 3.8A);None","0.65A","3s45B-6upjA:19.2","3s45B-6upjA:98.99"],["3S45_B_478B201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ASP A  30;GLY A  49;ILE A  50;ILE A  82;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);NIU A 100 (-4.6A);None","0.79A","3s45B-6upjA:19.2","3s45B-6upjA:98.99"]]