SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2U4'

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)

Filter list by:

	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.	1I2W_A_CFXA1300_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 461 SER A 520 ASN A 522 THR A 680 LYS A 695 GLY A 697	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A)	0.63A	1i2wA-4oonA: 15.8	1i2wA-4oonA: 16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1YMX_A_CFXA1001_1 (BETA-LACTAMASE CTX-M-9)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 461 SER A 520 ASN A 522 THR A 680 LYS A 695 GLY A 697	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A)	0.62A	1ymxA-4oonA: 16.7	1ymxA-4oonA: 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.	3ELZ_A_CHDA200_0 (ILEAL BILE ACID-BINDING PROTEIN)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	4 / 5	PRO A 725 THR A 736 VAL A 737 GLY A 734	None None None 2U4 A 901 ( 4.4A)	1.15A	3elzA-4oonA: undetectable	3elzA-4oonA: 10.67
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.	3HLW_B_CE3B302_1 (CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 520 ASN A 522 THR A 680 LYS A 695 THR A 696 GLY A 697	2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A)	0.69A	3hlwB-4oonA: 16.7	3hlwB-4oonA: 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.	3LS4_H_TCIH220_1 (HEAVY CHAIN OF ANTIBODY FAB FRAGMENT)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	5 / 10	VAL A 718 VAL A 720 LEU A 728 SER A 423 GLY A 734	None None None None 2U4 A 901 ( 4.4A)	1.19A	3ls4H-4oonA: undetectable	3ls4H-4oonA: 13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3NY4_A_SMXA308_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.70A	3ny4A-4oonA: 15.2	3ny4A-4oonA: 17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3QT0_A_486A4_2 (PEROXISOME PROLIFERATOR-ACTIVAT ED RECEPTOR GAMMA)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	4 / 4	LYS A 695 GLN A 673 ILE A 667 LEU A 513	2U4 A 901 ( 4.3A) None None None	1.39A	3qt0A-4oonA: undetectable	3qt0A-4oonA: 16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3SH8_A_CEDA1_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 461 SER A 520 ASN A 522 LYS A 695 THR A 696 GLY A 697	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A)	0.67A	3sh8A-4oonA: 16.4	3sh8A-4oonA: 16.04
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.	4EUZ_A_MEMA401_1 (CARBAPENEM-HYDROLIZI NG BETA-LACTAMASE SFC-1)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 520 ASN A 522 LEU A 559 THR A 680 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 (-4.7A) 2U4 A 901 (-4.1A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	1.27A	4euzA-4oonA: 16.8	4euzA-4oonA: 17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4EUZ_A_MEMA401_1 (CARBAPENEM-HYDROLIZI NG BETA-LACTAMASE SFC-1)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 520 ASN A 522 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.77A	4euzA-4oonA: 16.8	4euzA-4oonA: 17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4FH2_A_0RNA303_1 (BETA-LACTAMASE SHV-1)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	5 / 10	SER A 520 ASN A 522 LYS A 695 THR A 696 GLY A 697	2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A)	0.58A	4fh2A-4oonA: 17.0	4fh2A-4oonA: 15.30
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.	4N09_B_ADNB401_1 (ADENOSINE KINASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	5 / 12	LEU A 685 GLY A 709 GLY A 694 ALA A 684 GLY A 697	None None None None 2U4 A 901 (-3.7A)	0.98A	4n09B-4oonA: undetectable	4n09B-4oonA: 20.30
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.	4N09_D_ADND401_1 (ADENOSINE KINASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	5 / 12	LEU A 685 GLY A 709 GLY A 694 ALA A 684 GLY A 697	None None None None 2U4 A 901 (-3.7A)	0.99A	4n09D-4oonA: undetectable	4n09D-4oonA: 20.30
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)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 461 SER A 520 ASN A 522 LYS A 695 THR A 696 GLY A 697	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A)	0.68A	4n9kA-4oonA: 16.3	4n9kA-4oonA: 16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4PM5_A_CE3A301_1 (BETA-LACTAMASE CTX-M-14)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 520 ASN A 522 THR A 680 LYS A 695 THR A 696 GLY A 697	2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A)	0.80A	4pm5A-4oonA: 16.9	4pm5A-4oonA: 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.	4PM9_A_CE3A301_1 (BETA-LACTAMASE CTX-M-14)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 520 ASN A 522 THR A 680 LYS A 695 THR A 696 GLY A 697	2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A)	0.80A	4pm9A-4oonA: 17.0	4pm9A-4oonA: 16.48
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.	5GHZ_B_CEDB301_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 10	SER A 461 SER A 520 ASN A 522 LYS A 695 THR A 696 GLY A 697	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A)	0.70A	5ghzB-4oonA: 16.3	5ghzB-4oonA: 16.04
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.	5OJ0_A_9WTA801_0 (PENICILLIN-BINDING PROTEIN 2X)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	5 / 12	SER A 520 ASN A 522 THR A 680 GLY A 697 THR A 698	2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 (-4.1A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	1.03A	5oj0A-4oonA: 16.8	5oj0A-4oonA: 21.06
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.	5TL8_A_X2NA502_1 (PROTEIN CYP51)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	5 / 12	ALA A 738 PHE A 544 ALA A 665 THR A 669 THR A 696	None None None None 2U4 A 901 (-3.7A)	1.22A	5tl8A-4oonA: undetectable	5tl8A-4oonA: 19.15
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.	6B5Y_B_9F2B400_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.60A	6b5yB-4oonA: 16.3	6b5yB-4oonA: 7.94
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.	6B5Y_D_9F2D400_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.59A	6b5yD-4oonA: 15.9	6b5yD-4oonA: 7.94
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.	6B68_B_9F2B301_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.66A	6b68B-4oonA: 15.9	6b68B-4oonA: 7.94
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.	6B68_D_9F2D400_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.70A	6b68D-4oonA: 16.1	6b68D-4oonA: 7.94
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.	6B69_B_9F2B301_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.68A	6b69A-4oonA: 16.2 6b69B-4oonA: 16.1	6b69A-4oonA: 7.94 6b69B-4oonA: 7.94
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.	6B69_D_9F2D301_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.67A	6b69D-4oonA: 16.0	6b69D-4oonA: 7.94
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.	6B6A_B_9F2B301_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.67A	6b6aB-4oonA: 16.2	6b6aB-4oonA: 7.94
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.	6B6A_D_9F2D301_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 461 SER A 520 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.61A	6b6aD-4oonA: 15.9	6b6aD-4oonA: 7.94
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.	6B6C_A_9F2A301_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 461 SER A 520 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.65A	6b6cA-4oonA: 16.2	6b6cA-4oonA: 7.94
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.	6B6D_A_9F2A302_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.64A	6b6dA-4oonA: 16.1	6b6dA-4oonA: 7.94
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.	6B6E_A_9F2A302_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	7 / 12	SER A 461 SER A 520 THR A 680 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.71A	6b6eA-4oonA: 16.3	6b6eA-4oonA: 7.94
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.	6B6F_A_9F2A301_1 (BETA-LACTAMASE)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	6 / 12	SER A 461 SER A 520 LYS A 695 THR A 696 GLY A 697 THR A 698	2U4 A 901 (-1.3A) 2U4 A 901 (-3.6A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.7A) 2U4 A 901 (-3.8A)	0.74A	6b6fA-4oonA: 16.1	6b6fA-4oonA: 7.94
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.	6C79_A_CE3A301_1 (BETA-LACTAMASE TOHO-1)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	5 / 12	SER A 520 ASN A 522 THR A 680 LYS A 695 GLY A 697	2U4 A 901 (-3.6A) 2U4 A 901 (-2.9A) 2U4 A 901 (-4.1A) 2U4 A 901 ( 4.3A) 2U4 A 901 (-3.7A)	0.76A	6c79A-4oonA: 16.6	6c79A-4oonA: 6.71
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.	6HQB_A_PQNA2001_0 (PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A1 PHOTOSYSTEM I REACTION CENTER SUBUNIT IX)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	5 / 10	SER A 462 GLY A 460 TRP A 706 GLY A 734 LEU A 344	None 2U4 A 901 ( 3.8A) None 2U4 A 901 ( 4.4A) None	1.27A	6hqbA-4oonA: undetectable 6hqbJ-4oonA: undetectable	6hqbA-4oonA: 6.12 6hqbJ-4oonA: 4.03
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.	6HQB_A_PQNA2001_0 (PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A1 PHOTOSYSTEM I REACTION CENTER SUBUNIT IX)	4oon	PENICILLIN-BINDING PROTEIN 1A (Pseudomonas aeruginosa)	5 / 10	SER A 462 GLY A 697 TRP A 706 ALA A 738 LEU A 259	None 2U4 A 901 (-3.7A) None None None	1.29A	6hqbA-4oonA: undetectable 6hqbJ-4oonA: undetectable	6hqbA-4oonA: 6.12 6hqbJ-4oonA: 4.03

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1I2W_A_CFXA1300_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 461;SER A 520;ASN A 522;THR A 680;LYS A 695;GLY A 697","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A)","0.63A","1i2wA-4oonA:15.8",null],["1YMX_A_CFXA1001_1","BETA-LACTAMASE CTX-M-9","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 461;SER A 520;ASN A 522;THR A 680;LYS A 695;GLY A 697","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A)","0.62A","1ymxA-4oonA:16.7","1i2wA-4oonA:16.78"],["3ELZ_A_CHDA200_0","ILEAL BILE ACID-BINDING PROTEIN","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",4,"PRO A 725;THR A 736;VAL A 737;GLY A 734","None;None;None;2U4 A 901 ( 4.4A)","1.15A","3elzA-4oonA:undetectable","1ymxA-4oonA:16.23"],["3HLW_B_CE3B302_1","CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 520;ASN A 522;THR A 680;LYS A 695;THR A 696;GLY A 697","2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A)","0.69A","3hlwB-4oonA:16.7","3elzA-4oonA:10.67"],["3LS4_H_TCIH220_1","HEAVY CHAIN OF ANTIBODY FAB FRAGMENT","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",5,"VAL A 718;VAL A 720;LEU A 728;SER A 423;GLY A 734","None;None;None;None;2U4 A 901 ( 4.4A)","1.19A","3ls4H-4oonA:undetectable","3hlwB-4oonA:16.23"],["3NY4_A_SMXA308_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 461;SER A 520;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.70A","3ny4A-4oonA:15.2","3ls4H-4oonA:13.40"],["3QT0_A_486A4_2","PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",4,"LYS A 695;GLN A 673;ILE A 667;LEU A 513","2U4 A 901 ( 4.3A);None;None;None","1.39A","3qt0A-4oonA:undetectable","3ny4A-4oonA:17.21"],["3SH8_A_CEDA1_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 461;SER A 520;ASN A 522;LYS A 695;THR A 696;GLY A 697","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A)","0.67A","3sh8A-4oonA:16.4","3qt0A-4oonA:16.31"],["4EUZ_A_MEMA401_1","CARBAPENEM-HYDROLIZING BETA-LACTAMASE SFC-1","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 520;ASN A 522;LEU A 559;THR A 680;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 (-4.7A);2U4 A 901 (-4.1A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","1.27A","4euzA-4oonA:16.8","3sh8A-4oonA:16.04"],["4EUZ_A_MEMA401_1","CARBAPENEM-HYDROLIZING BETA-LACTAMASE SFC-1","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 520;ASN A 522;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.77A","4euzA-4oonA:16.8","4euzA-4oonA:17.31"],["4FH2_A_0RNA303_1","BETA-LACTAMASE SHV-1","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",5,"SER A 520;ASN A 522;LYS A 695;THR A 696;GLY A 697","2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A)","0.58A","4fh2A-4oonA:17.0","4euzA-4oonA:17.31"],["4N09_B_ADNB401_1","ADENOSINE KINASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",5,"LEU A 685;GLY A 709;GLY A 694;ALA A 684;GLY A 697","None;None;None;None;2U4 A 901 (-3.7A)","0.98A","4n09B-4oonA:undetectable","4fh2A-4oonA:15.30"],["4N09_D_ADND401_1","ADENOSINE KINASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",5,"LEU A 685;GLY A 709;GLY A 694;ALA A 684;GLY A 697","None;None;None;None;2U4 A 901 (-3.7A)","0.99A","4n09D-4oonA:undetectable","4n09B-4oonA:20.30"],["4N9K_A_CEDA301_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 461;SER A 520;ASN A 522;LYS A 695;THR A 696;GLY A 697","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A)","0.68A","4n9kA-4oonA:16.3","4n09D-4oonA:20.30"],["4PM5_A_CE3A301_1","BETA-LACTAMASE CTX-M-14","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 520;ASN A 522;THR A 680;LYS A 695;THR A 696;GLY A 697","2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A)","0.80A","4pm5A-4oonA:16.9","4n9kA-4oonA:16.91"],["4PM9_A_CE3A301_1","BETA-LACTAMASE CTX-M-14","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 520;ASN A 522;THR A 680;LYS A 695;THR A 696;GLY A 697","2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A)","0.80A","4pm9A-4oonA:17.0","4pm5A-4oonA:16.23"],["5GHZ_B_CEDB301_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 461;SER A 520;ASN A 522;LYS A 695;THR A 696;GLY A 697","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A)","0.70A","5ghzB-4oonA:16.3","4pm9A-4oonA:16.48"],["5OJ0_A_9WTA801_0","PENICILLIN-BINDING PROTEIN 2X","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",5,"SER A 520;ASN A 522;THR A 680;GLY A 697;THR A 698","2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 (-4.1A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","1.03A","5oj0A-4oonA:16.8","5ghzB-4oonA:16.04"],["5TL8_A_X2NA502_1","PROTEIN CYP51","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",5,"ALA A 738;PHE A 544;ALA A 665;THR A 669;THR A 696","None;None;None;None;2U4 A 901 (-3.7A)","1.22A","5tl8A-4oonA:undetectable","5oj0A-4oonA:21.06"],["6B5Y_B_9F2B400_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 461;SER A 520;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.60A","6b5yB-4oonA:16.3","5tl8A-4oonA:19.15"],["6B5Y_D_9F2D400_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 461;SER A 520;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.59A","6b5yD-4oonA:15.9","6b5yB-4oonA:7.94"],["6B68_B_9F2B301_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 461;SER A 520;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.66A","6b68B-4oonA:15.9","6b5yD-4oonA:7.94"],["6B68_D_9F2D400_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 461;SER A 520;THR A 680;LYS A 695;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.70A","6b68D-4oonA:16.1","6b68B-4oonA:7.94"],["6B69_B_9F2B301_1","BETA-LACTAMASE;BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 461;SER A 520;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.68A","6b69A-4oonA:16.2;6b69B-4oonA:16.1","6b68D-4oonA:7.94"],["6B69_D_9F2D301_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 461;SER A 520;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.67A","6b69D-4oonA:16.0","6b69A-4oonA:7.94;6b69B-4oonA:7.94"],["6B6A_B_9F2B301_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 461;SER A 520;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.67A","6b6aB-4oonA:16.2","6b69D-4oonA:7.94"],["6B6A_D_9F2D301_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 461;SER A 520;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.61A","6b6aD-4oonA:15.9","6b6aB-4oonA:7.94"],["6B6C_A_9F2A301_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 461;SER A 520;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.65A","6b6cA-4oonA:16.2","6b6aD-4oonA:7.94"],["6B6D_A_9F2A302_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 461;SER A 520;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.64A","6b6dA-4oonA:16.1","6b6cA-4oonA:7.94"],["6B6E_A_9F2A302_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",7,"SER A 461;SER A 520;THR A 680;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.71A","6b6eA-4oonA:16.3","6b6dA-4oonA:7.94"],["6B6F_A_9F2A301_1","BETA-LACTAMASE","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",6,"SER A 461;SER A 520;LYS A 695;THR A 696;GLY A 697;THR A 698","2U4 A 901 (-1.3A);2U4 A 901 (-3.6A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A);2U4 A 901 (-3.7A);2U4 A 901 (-3.8A)","0.74A","6b6fA-4oonA:16.1","6b6eA-4oonA:7.94"],["6C79_A_CE3A301_1","BETA-LACTAMASE TOHO-1","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",5,"SER A 520;ASN A 522;THR A 680;LYS A 695;GLY A 697","2U4 A 901 (-3.6A);2U4 A 901 (-2.9A);2U4 A 901 (-4.1A);2U4 A 901 ( 4.3A);2U4 A 901 (-3.7A)","0.76A","6c79A-4oonA:16.6","6b6fA-4oonA:7.94"],["6HQB_A_PQNA2001_0","PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A1;PHOTOSYSTEM I REACTION CENTER SUBUNIT IX","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",5,"SER A 462;GLY A 460;TRP A 706;GLY A 734;LEU A 344","None;2U4 A 901 ( 3.8A);None;2U4 A 901 ( 4.4A);None","1.27A","6hqbA-4oonA:undetectable;6hqbJ-4oonA:undetectable","6c79A-4oonA:6.71"],["6HQB_A_PQNA2001_0","PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A1;PHOTOSYSTEM I REACTION CENTER SUBUNIT IX","4oon","PENICILLIN-BINDING PROTEIN 1A","Pseudomonas aeruginosa",5,"SER A 462;GLY A 697;TRP A 706;ALA A 738;LEU A 259","None;2U4 A 901 (-3.7A);None;None;None","1.29A","6hqbA-4oonA:undetectable;6hqbJ-4oonA:undetectable","6hqbA-4oonA:6.12;6hqbJ-4oonA:4.03"]]