SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3rju'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)

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	DrReposER ID / Desc.	Hit PDBID	Hit Macromolecule	Res. Matches	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.	1E7C_A_HLTA4004_1 (SERUM ALBUMIN)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	4 / 4	VAL A 322 PHE A 332 SER A 336 VAL A 339	None	1.13A	1e7cA-3rjuA: undetectable	1e7cA-3rjuA: 20.13
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.	1ERR_A_RALA600_1 (ESTROGEN RECEPTOR)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	ALA A 165 ASP A 166 MET A 64 ILE A 57 LEU A 195	None	1.23A	1errA-3rjuA: undetectable	1errA-3rjuA: 21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1FM4_A_DXCA1002_0 (MAJOR POLLEN ALLERGEN BET V 1-L)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	VAL A 7 VAL A 324 ILE A 307 SER A 336 LEU A 342	None	1.18A	1fm4A-3rjuA: undetectable	1fm4A-3rjuA: 19.83
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.	1GHM_A_CEDA1_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	ALA A 58 SER A 59 LYS A 62 ASN A 158 LYS A 299 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A)	0.37A	1ghmA-3rjuA: 6.1	1ghmA-3rjuA: 23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1I2W_A_CFXA1300_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	ALA A 58 SER A 59 LYS A 62 ASN A 158 LYS A 299 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A)	0.51A	1i2wA-3rjuA: 14.3	1i2wA-3rjuA: 23.24
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.	1KVL_A_CLSA371_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 10	TYR A 156 ASN A 158 LYS A 299 THR A 300 GLY A 301	CIT A 391 (-3.9A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A)	0.35A	1kvlA-3rjuA: 34.8	1kvlA-3rjuA: 27.06
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.	1QAB_F_RTLF2_0 (PROTEIN (RETINOL BINDING PROTEIN))	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	ALA A 20 LEU A 342 MET A 23 GLY A 39 LEU A 25	None	1.24A	1qabF-3rjuA: undetectable	1qabF-3rjuA: 16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1YMX_A_CFXA1001_1 (BETA-LACTAMASE CTX-M-9)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	SER A 59 LYS A 62 ASN A 158 LYS A 299 GLY A 301 GLY A 303	CIT A 391 (-2.5A) CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A) None	0.41A	1ymxA-3rjuA: 15.2	1ymxA-3rjuA: 22.84
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.	1YMX_B_CFXB1002_1 (BETA-LACTAMASE CTX-M-9)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	SER A 59 LYS A 62 ASN A 158 LYS A 299 GLY A 301 GLY A 303	CIT A 391 (-2.5A) CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A) None	0.37A	1ymxB-3rjuA: 15.3	1ymxB-3rjuA: 22.84
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.	2AVS_B_MK1B902_3 (POL POLYPROTEIN)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	GLY A 19 ALA A 20 VAL A 323 GLY A 208 VAL A 209	None	0.84A	2avsB-3rjuA: undetectable	2avsB-3rjuA: 14.53
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.	2F7F_A_NIOA601_1 (NICOTINATE PHOSPHORIBOSYLTRANSF ERASE, PUTATIVE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	4 / 6	ARG A 137 SER A 223 GLY A 225 THR A 217	None	1.16A	2f7fA-3rjuA: undetectable	2f7fA-3rjuA: 23.37
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.	3HLW_A_CE3A301_1 (CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	LYS A 62 ASN A 158 LYS A 299 GLY A 301 GLY A 303	CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A) None	0.52A	3hlwA-3rjuA: 15.2	3hlwA-3rjuA: 22.84
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.	3HUO_A_PNNA300_0 (CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	LYS A 62 ASN A 158 LYS A 299 THR A 300 GLY A 301 GLY A 303	CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A) None	0.47A	3huoA-3rjuA: 15.2	3huoA-3rjuA: 22.84
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.	3HUO_B_PNNB301_0 (CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	LYS A 62 ASN A 158 LYS A 299 GLY A 301 GLY A 303	CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A) None	0.48A	3huoB-3rjuA: 15.2	3huoB-3rjuA: 22.84
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.	3LP9_D_SPMD230_1 (LS-24)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	3 / 3	GLU A 200 GLU A 231 ASN A 192	None	0.76A	3lp9B-3rjuA: undetectable 3lp9D-3rjuA: undetectable	3lp9B-3rjuA: 19.67 3lp9D-3rjuA: 19.67
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.	3MZE_A_CFXA364_1 (D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACA)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	ALA A 58 SER A 59 LYS A 62 ASN A 158 THR A 300 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 (-3.4A) CIT A 391 (-3.3A)	0.51A	3mzeA-3rjuA: 15.3	3mzeA-3rjuA: 23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3OXW_B_017B200_1 (HIV-1 PROTEASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 10	GLY A 19 ALA A 20 VAL A 323 GLY A 208 VAL A 209	None	1.04A	3oxwA-3rjuA: undetectable	3oxwA-3rjuA: 13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3Q07_A_WPPA300_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	LYS A 62 ASN A 158 LYS A 299 GLY A 301 GLY A 303	CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A) None	0.52A	3q07A-3rjuA: 15.2	3q07A-3rjuA: 22.84
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.	3Q07_B_WPPB400_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	LYS A 62 ASN A 158 LYS A 299 GLY A 301 GLY A 303	CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A) None	0.49A	3q07B-3rjuA: 15.1	3q07B-3rjuA: 22.84
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.	3QOW_A_SAMA417_1 (HISTONE-LYSINE N-METHYLTRANSFERASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	3 / 3	THR A 61 ASP A 162 GLU A 118	None	0.69A	3qowA-3rjuA: undetectable	3qowA-3rjuA: 21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3SH8_A_CEDA1_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	ALA A 58 SER A 59 ASN A 158 LYS A 299 THR A 300 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A)	0.23A	3sh8A-3rjuA: 14.6	3sh8A-3rjuA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3SH8_B_CEDB1_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	ALA A 58 SER A 59 LYS A 62 ASN A 158 LYS A 299 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A)	0.37A	3sh8B-3rjuA: 14.6	3sh8B-3rjuA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3UFN_A_ROCA402_1 (HIV-1 PROTEASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	4 / 5	ARG A 36 LEU A 25 VAL A 27 ASP A 8	None	1.07A	3ufnA-3rjuA: undetectable 3ufnB-3rjuA: undetectable	3ufnA-3rjuA: 14.81 3ufnB-3rjuA: 14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4FH2_A_0RNA303_1 (BETA-LACTAMASE SHV-1)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 10	ASN A 158 VAL A 273 LYS A 299 THR A 300 GLY A 301	CIT A 391 ( 4.7A) CIT A 391 (-4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A)	0.98A	4fh2A-3rjuA: 15.7	4fh2A-3rjuA: 24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4N9K_A_CEDA301_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	ALA A 58 SER A 59 ASN A 158 LYS A 299 THR A 300 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A)	0.26A	4n9kA-3rjuA: 14.4	4n9kA-3rjuA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4N9K_B_CEDB301_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 12	ALA A 58 SER A 59 ASN A 158 LYS A 299 THR A 300 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A)	0.22A	4n9kB-3rjuA: 4.8	4n9kB-3rjuA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4PM7_A_CE3A301_1 (BETA-LACTAMASE CTX-M-14)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	LYS A 62 ASN A 158 LYS A 299 GLY A 301 GLY A 303	CIT A 391 ( 4.4A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A) None	0.50A	4pm7A-3rjuA: 14.8	4pm7A-3rjuA: 22.84
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.	4RTM_A_SAMA301_0 (DNA ADENINE METHYLASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	GLY A 224 GLY A 225 GLY A 303 TYR A 309 GLN A 298	None	0.89A	4rtmA-3rjuA: undetectable	4rtmA-3rjuA: 19.39
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.	4XTA_B_DIFB501_1 (PEROXISOME PROLIFERATOR-ACTIVAT ED RECEPTOR GAMMA)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	4 / 8	ARG A 56 SER A 211 LEU A 54 ILE A 55	None	1.00A	4xtaB-3rjuA: undetectable	4xtaB-3rjuA: 19.27
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.	5FA8_A_SAMA301_1 (RIBOSOMAL PROTEIN L11 METHYLTRANSFERASE, PUTATIVE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	3 / 3	THR A 61 ASP A 162 GLU A 118	None	0.75A	5fa8A-3rjuA: undetectable	5fa8A-3rjuA: 17.33
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.	5GHY_A_CEDA301_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	ALA A 58 SER A 59 ASN A 158 LYS A 299 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A)	0.24A	5ghyA-3rjuA: 5.9	5ghyA-3rjuA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5GHY_B_CEDB301_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	ALA A 58 SER A 59 ASN A 158 LYS A 299 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.3A)	0.23A	5ghyB-3rjuA: 5.2	5ghyB-3rjuA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5GHZ_A_CEDA301_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 11	ALA A 58 SER A 59 ASN A 158 LYS A 299 THR A 300 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A)	0.21A	5ghzA-3rjuA: 13.9	5ghzA-3rjuA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5GHZ_B_CEDB301_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	6 / 10	ALA A 58 SER A 59 ASN A 158 LYS A 299 THR A 300 GLY A 301	CIT A 391 ( 4.1A) CIT A 391 (-2.5A) CIT A 391 ( 4.7A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A)	0.21A	5ghzB-3rjuA: 14.5	5ghzB-3rjuA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6B6A_D_9F2D301_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	SER A 59 LYS A 299 THR A 300 GLY A 301 GLY A 303	CIT A 391 (-2.5A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A) None	0.40A	6b6aD-3rjuA: 14.5	6b6aD-3rjuA: 14.04
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.	6B6F_A_9F2A301_1 (BETA-LACTAMASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	SER A 59 LYS A 299 THR A 300 GLY A 301 GLY A 303	CIT A 391 (-2.5A) CIT A 391 ( 4.4A) CIT A 391 (-3.4A) CIT A 391 (-3.3A) None	0.49A	6b6fA-3rjuA: 14.8	6b6fA-3rjuA: 14.04
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.	6DWN_C_AQ4C602_0 (CYTOCHROME P450 1A1)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	SER A 228 ASP A 232 GLY A 189 ILE A 226 LEU A 180	None	1.11A	6dwnC-3rjuA: undetectable	6dwnC-3rjuA: 13.77
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.	6DWN_D_AQ4D602_0 (CYTOCHROME P450 1A1)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	5 / 12	SER A 228 ASP A 232 GLY A 189 ILE A 226 LEU A 180	None	1.07A	6dwnD-3rjuA: undetectable	6dwnD-3rjuA: 13.77
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.	6GNA_A_ACTA307_0 (THIOREDOXIN REDUCTASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	3 / 3	ARG A 104 LYS A 79 TYR A 87	None	1.31A	6gnaA-3rjuA: undetectable	6gnaA-3rjuA: 23.04
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.	6GNB_A_ACTA307_0 (THIOREDOXIN REDUCTASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	3 / 3	ARG A 104 LYS A 79 TYR A 87	None	1.31A	6gnbA-3rjuA: undetectable	6gnbA-3rjuA: 23.04
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.	6GTQ_B_ACTB207_0 (DUF1778 DOMAIN-CONTAINING PROTEIN N-ACETYLTRANSFERASE)	3rju	BETA-LACTAMASE/D-ALA NINE CARBOXYPEPTIDASE (Yersinia pestis)	4 / 6	LEU A 164 THR A 65 GLY A 222 ARG A 137	None	1.39A	6gtqB-3rjuA: undetectable 6gtqD-3rjuA: undetectable	6gtqB-3rjuA: 19.24 6gtqD-3rjuA: 10.58

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1E7C_A_HLTA4004_1","SERUM ALBUMIN","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",4,"VAL A 322;PHE A 332;SER A 336;VAL A 339","None","1.13A","1e7cA-3rjuA:undetectable","1e7cA-3rjuA:20.13"],["1ERR_A_RALA600_1","ESTROGEN RECEPTOR","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"ALA A 165;ASP A 166;MET A  64;ILE A  57;LEU A 195","None","1.23A","1errA-3rjuA:undetectable","1errA-3rjuA:21.35"],["1FM4_A_DXCA1002_0","MAJOR POLLEN ALLERGEN BET V 1-L","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"VAL A   7;VAL A 324;ILE A 307;SER A 336;LEU A 342","None","1.18A","1fm4A-3rjuA:undetectable","1fm4A-3rjuA:19.83"],["1GHM_A_CEDA1_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"ALA A  58;SER A  59;LYS A  62;ASN A 158;LYS A 299;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A)","0.37A","1ghmA-3rjuA:6.1","1ghmA-3rjuA:23.12"],["1I2W_A_CFXA1300_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"ALA A  58;SER A  59;LYS A  62;ASN A 158;LYS A 299;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A)","0.51A","1i2wA-3rjuA:14.3","1i2wA-3rjuA:23.24"],["1KVL_A_CLSA371_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"TYR A 156;ASN A 158;LYS A 299;THR A 300;GLY A 301","CIT A 391 (-3.9A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A)","0.35A","1kvlA-3rjuA:34.8","1kvlA-3rjuA:27.06"],["1QAB_F_RTLF2_0","PROTEIN (RETINOL BINDING PROTEIN)","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"ALA A  20;LEU A 342;MET A  23;GLY A  39;LEU A  25","None","1.24A","1qabF-3rjuA:undetectable","1qabF-3rjuA:16.67"],["1YMX_A_CFXA1001_1","BETA-LACTAMASE CTX-M-9","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"SER A  59;LYS A  62;ASN A 158;LYS A 299;GLY A 301;GLY A 303","CIT A 391 (-2.5A);CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A);None","0.41A","1ymxA-3rjuA:15.2","1ymxA-3rjuA:22.84"],["1YMX_B_CFXB1002_1","BETA-LACTAMASE CTX-M-9","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"SER A  59;LYS A  62;ASN A 158;LYS A 299;GLY A 301;GLY A 303","CIT A 391 (-2.5A);CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A);None","0.37A","1ymxB-3rjuA:15.3","1ymxB-3rjuA:22.84"],["2AVS_B_MK1B902_3","POL POLYPROTEIN","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"GLY A  19;ALA A  20;VAL A 323;GLY A 208;VAL A 209","None","0.84A","2avsB-3rjuA:undetectable","2avsB-3rjuA:14.53"],["2F7F_A_NIOA601_1","NICOTINATE PHOSPHORIBOSYLTRANSFERASE, PUTATIVE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",4,"ARG A 137;SER A 223;GLY A 225;THR A 217","None","1.16A","2f7fA-3rjuA:undetectable","2f7fA-3rjuA:23.37"],["3HLW_A_CE3A301_1","CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"LYS A  62;ASN A 158;LYS A 299;GLY A 301;GLY A 303","CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A);None","0.52A","3hlwA-3rjuA:15.2","3hlwA-3rjuA:22.84"],["3HUO_A_PNNA300_0","CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"LYS A  62;ASN A 158;LYS A 299;THR A 300;GLY A 301;GLY A 303","CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A);None","0.47A","3huoA-3rjuA:15.2","3huoA-3rjuA:22.84"],["3HUO_B_PNNB301_0","CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"LYS A  62;ASN A 158;LYS A 299;GLY A 301;GLY A 303","CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A);None","0.48A","3huoB-3rjuA:15.2","3huoB-3rjuA:22.84"],["3LP9_D_SPMD230_1","LS-24;LS-24","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",3,"GLU A 200;GLU A 231;ASN A 192","None","0.76A","3lp9B-3rjuA:undetectable;3lp9D-3rjuA:undetectable","3lp9B-3rjuA:19.67;3lp9D-3rjuA:19.67"],["3MZE_A_CFXA364_1","D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACA","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"ALA A  58;SER A  59;LYS A  62;ASN A 158;THR A 300;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 (-3.4A);CIT A 391 (-3.3A)","0.51A","3mzeA-3rjuA:15.3","3mzeA-3rjuA:23.81"],["3OXW_B_017B200_1","HIV-1 PROTEASE;HIV-1 PROTEASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"GLY A  19;ALA A  20;VAL A 323;GLY A 208;VAL A 209","None","1.04A","3oxwA-3rjuA:undetectable","3oxwA-3rjuA:13.68"],["3Q07_A_WPPA300_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"LYS A  62;ASN A 158;LYS A 299;GLY A 301;GLY A 303","CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A);None","0.52A","3q07A-3rjuA:15.2","3q07A-3rjuA:22.84"],["3Q07_B_WPPB400_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"LYS A  62;ASN A 158;LYS A 299;GLY A 301;GLY A 303","CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A);None","0.49A","3q07B-3rjuA:15.1","3q07B-3rjuA:22.84"],["3QOW_A_SAMA417_1","HISTONE-LYSINE N-METHYLTRANSFERASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",3,"THR A  61;ASP A 162;GLU A 118","None","0.69A","3qowA-3rjuA:undetectable","3qowA-3rjuA:21.51"],["3SH8_A_CEDA1_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"ALA A  58;SER A  59;ASN A 158;LYS A 299;THR A 300;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A)","0.23A","3sh8A-3rjuA:14.6","3sh8A-3rjuA:22.58"],["3SH8_B_CEDB1_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"ALA A  58;SER A  59;LYS A  62;ASN A 158;LYS A 299;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A)","0.37A","3sh8B-3rjuA:14.6","3sh8B-3rjuA:22.58"],["3UFN_A_ROCA402_1","HIV-1 PROTEASE;HIV-1 PROTEASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",4,"ARG A  36;LEU A  25;VAL A  27;ASP A   8","None","1.07A","3ufnA-3rjuA:undetectable;3ufnB-3rjuA:undetectable","3ufnA-3rjuA:14.81;3ufnB-3rjuA:14.81"],["4FH2_A_0RNA303_1","BETA-LACTAMASE SHV-1","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"ASN A 158;VAL A 273;LYS A 299;THR A 300;GLY A 301","CIT A 391 ( 4.7A);CIT A 391 (-4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A)","0.98A","4fh2A-3rjuA:15.7","4fh2A-3rjuA:24.30"],["4N9K_A_CEDA301_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"ALA A  58;SER A  59;ASN A 158;LYS A 299;THR A 300;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A)","0.26A","4n9kA-3rjuA:14.4","4n9kA-3rjuA:22.58"],["4N9K_B_CEDB301_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"ALA A  58;SER A  59;ASN A 158;LYS A 299;THR A 300;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A)","0.22A","4n9kB-3rjuA:4.8","4n9kB-3rjuA:22.58"],["4PM7_A_CE3A301_1","BETA-LACTAMASE CTX-M-14","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"LYS A  62;ASN A 158;LYS A 299;GLY A 301;GLY A 303","CIT A 391 ( 4.4A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A);None","0.50A","4pm7A-3rjuA:14.8","4pm7A-3rjuA:22.84"],["4RTM_A_SAMA301_0","DNA ADENINE METHYLASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"GLY A 224;GLY A 225;GLY A 303;TYR A 309;GLN A 298","None","0.89A","4rtmA-3rjuA:undetectable","4rtmA-3rjuA:19.39"],["4XTA_B_DIFB501_1","PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",4,"ARG A  56;SER A 211;LEU A  54;ILE A  55","None","1.00A","4xtaB-3rjuA:undetectable","4xtaB-3rjuA:19.27"],["5FA8_A_SAMA301_1","RIBOSOMAL PROTEIN L11 METHYLTRANSFERASE, PUTATIVE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",3,"THR A  61;ASP A 162;GLU A 118","None","0.75A","5fa8A-3rjuA:undetectable","5fa8A-3rjuA:17.33"],["5GHY_A_CEDA301_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"ALA A  58;SER A  59;ASN A 158;LYS A 299;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A)","0.24A","5ghyA-3rjuA:5.9","5ghyA-3rjuA:22.58"],["5GHY_B_CEDB301_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"ALA A  58;SER A  59;ASN A 158;LYS A 299;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.3A)","0.23A","5ghyB-3rjuA:5.2","5ghyB-3rjuA:22.58"],["5GHZ_A_CEDA301_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"ALA A  58;SER A  59;ASN A 158;LYS A 299;THR A 300;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A)","0.21A","5ghzA-3rjuA:13.9","5ghzA-3rjuA:22.58"],["5GHZ_B_CEDB301_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",6,"ALA A  58;SER A  59;ASN A 158;LYS A 299;THR A 300;GLY A 301","CIT A 391 ( 4.1A);CIT A 391 (-2.5A);CIT A 391 ( 4.7A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A)","0.21A","5ghzB-3rjuA:14.5","5ghzB-3rjuA:22.58"],["6B6A_D_9F2D301_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"SER A  59;LYS A 299;THR A 300;GLY A 301;GLY A 303","CIT A 391 (-2.5A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A);None","0.40A","6b6aD-3rjuA:14.5","6b6aD-3rjuA:14.04"],["6B6F_A_9F2A301_1","BETA-LACTAMASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"SER A  59;LYS A 299;THR A 300;GLY A 301;GLY A 303","CIT A 391 (-2.5A);CIT A 391 ( 4.4A);CIT A 391 (-3.4A);CIT A 391 (-3.3A);None","0.49A","6b6fA-3rjuA:14.8","6b6fA-3rjuA:14.04"],["6DWN_C_AQ4C602_0","CYTOCHROME P450 1A1","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"SER A 228;ASP A 232;GLY A 189;ILE A 226;LEU A 180","None","1.11A","6dwnC-3rjuA:undetectable","6dwnC-3rjuA:13.77"],["6DWN_D_AQ4D602_0","CYTOCHROME P450 1A1","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",5,"SER A 228;ASP A 232;GLY A 189;ILE A 226;LEU A 180","None","1.07A","6dwnD-3rjuA:undetectable","6dwnD-3rjuA:13.77"],["6GNA_A_ACTA307_0","THIOREDOXIN REDUCTASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",3,"ARG A 104;LYS A  79;TYR A  87","None","1.31A","6gnaA-3rjuA:undetectable","6gnaA-3rjuA:23.04"],["6GNB_A_ACTA307_0","THIOREDOXIN REDUCTASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",3,"ARG A 104;LYS A  79;TYR A  87","None","1.31A","6gnbA-3rjuA:undetectable","6gnbA-3rjuA:23.04"],["6GTQ_B_ACTB207_0","DUF1778 DOMAIN-CONTAINING PROTEIN;N-ACETYLTRANSFERASE","3rju","BETA-LACTAMASE\/D-ALANINE CARBOXYPEPTIDASE","Yersinia pestis",4,"LEU A 164;THR A  65;GLY A 222;ARG A 137","None","1.39A","6gtqB-3rjuA:undetectable;6gtqD-3rjuA:undetectable","6gtqB-3rjuA:19.24;6gtqD-3rjuA:10.58"]]