SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4k0x'

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.	1A8U_B_BEZB294_0 (CHLOROPEROXIDASE T)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	5 / 10	GLY A 151 PHE A 152 LEU A 189 PHE A 81 LEU A 87	None	1.41A	1a8uB-4k0xA: undetectable	1a8uB-4k0xA: 21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1C9H_A_RAPA108_1 (FKBP12.6)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	PHE A 81 VAL A 147 ILE A 150 PHE A 152 VAL A 195 PHE A 180	None	0.91A	1c9hA-4k0xA: undetectable	1c9hA-4k0xA: 16.94
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.	1FKB_A_RAPA108_1 (FK506 BINDING PROTEIN)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	5 / 12	GLN A 176 GLU A 177 ILE A 150 ILE A 138 PHE A 191	None	1.14A	1fkbA-4k0xA: undetectable	1fkbA-4k0xA: 19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1GHM_A_CEDA1_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	ALA A 78 SER A 79 SER A 126 LYS A 216 GLY A 218 ARG A 259	None KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.61A	1ghmA-4k0xA: 18.1	1ghmA-4k0xA: 25.61
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.	2DG4_A_RAPA501_1 (FK506-BINDING PROTEIN 1A)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	5 / 11	PHE A 81 VAL A 147 ILE A 150 PHE A 152 PHE A 180	None	0.73A	2dg4A-4k0xA: undetectable	2dg4A-4k0xA: 20.75
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.	2Y69_C_CHDC1265_0 (CYTOCHROME C OXIDASE POLYPEPTIDE 7A1 CYTOCHROME C OXIDASE SUBUNIT 3)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	4 / 5	PHE A 180 PHE A 152 LEU A 170 PHE A 164	None	1.33A	2y69C-4k0xA: undetectable 2y69J-4k0xA: undetectable	2y69C-4k0xA: 19.42 2y69J-4k0xA: 18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Y69_P_CHDP1265_0 (CYTOCHROME C OXIDASE POLYPEPTIDE 7A1 CYTOCHROME C OXIDASE SUBUNIT 3)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	4 / 5	PHE A 180 PHE A 152 LEU A 170 PHE A 164	None	1.35A	2y69P-4k0xA: undetectable 2y69W-4k0xA: undetectable	2y69P-4k0xA: 19.42 2y69W-4k0xA: 18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3ABM_C_CHDC271_0 (CYTOCHROME C OXIDASE POLYPEPTIDE 7A1 CYTOCHROME C OXIDASE SUBUNIT 3)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	4 / 5	PHE A 180 PHE A 152 LEU A 170 PHE A 164	None	1.30A	3abmC-4k0xA: undetectable 3abmJ-4k0xA: undetectable	3abmC-4k0xA: 19.42 3abmJ-4k0xA: 15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3ABM_P_CHDP1271_0 (CYTOCHROME C OXIDASE POLYPEPTIDE 7A1 CYTOCHROME C OXIDASE SUBUNIT 3)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	4 / 5	PHE A 180 PHE A 152 LEU A 170 PHE A 164	None	1.36A	3abmP-4k0xA: undetectable 3abmW-4k0xA: undetectable	3abmP-4k0xA: 19.42 3abmW-4k0xA: 15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3AG3_C_CHDC271_0 (CYTOCHROME C OXIDASE POLYPEPTIDE 7A1 CYTOCHROME C OXIDASE SUBUNIT 3)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	4 / 5	PHE A 180 PHE A 152 LEU A 170 PHE A 164	None	1.34A	3ag3C-4k0xA: undetectable 3ag3J-4k0xA: undetectable	3ag3C-4k0xA: 19.42 3ag3J-4k0xA: 15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3NY4_A_SMXA308_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	7 / 12	SER A 79 SER A 126 ARG A 259 LYS A 216 THR A 217 GLY A 218 ASP A 222	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) None	0.88A	3ny4A-4k0xA: 19.1	3ny4A-4k0xA: 20.14
Potential target for repurposing, i.e. matched protein structure has less than 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)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	7 / 12	ALA A 78 SER A 79 SER A 126 LYS A 216 THR A 217 GLY A 218 ARG A 259	None KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.52A	3sh8A-4k0xA: 19.6	3sh8A-4k0xA: 24.58
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)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	ALA A 78 SER A 79 SER A 126 LYS A 216 GLY A 218 ARG A 259	None KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.50A	3sh8B-4k0xA: 19.7	3sh8B-4k0xA: 24.58
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.	4DRI_A_RAPA201_1 (PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	5 / 11	PHE A 81 GLN A 144 VAL A 147 ILE A 150 PHE A 180	None	1.15A	4driA-4k0xA: undetectable	4driA-4k0xA: 22.87
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.	4FH2_A_0RNA303_1 (BETA-LACTAMASE SHV-1)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	5 / 10	SER A 126 LYS A 216 THR A 217 GLY A 218 ARG A 259	BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.85A	4fh2A-4k0xA: 18.3	4fh2A-4k0xA: 24.21
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.	4N9K_A_CEDA301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	7 / 12	ALA A 78 SER A 79 SER A 126 LYS A 216 THR A 217 GLY A 218 ARG A 259	None KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.55A	4n9kA-4k0xA: 19.5	4n9kA-4k0xA: 25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4N9K_B_CEDB301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	7 / 12	ALA A 78 SER A 79 SER A 126 LYS A 216 THR A 217 GLY A 218 ARG A 259	None KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.53A	4n9kB-4k0xA: 19.3	4n9kB-4k0xA: 25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5GHY_A_CEDA301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	ALA A 78 SER A 79 SER A 126 LYS A 216 GLY A 218 ARG A 259	None KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.53A	5ghyA-4k0xA: 19.6	5ghyA-4k0xA: 25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5GHY_B_CEDB301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	ALA A 78 SER A 79 SER A 126 LYS A 216 GLY A 218 ARG A 259	None KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.52A	5ghyB-4k0xA: 19.4	5ghyB-4k0xA: 25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5GHZ_A_CEDA301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	7 / 11	ALA A 78 SER A 79 SER A 126 LYS A 216 THR A 217 GLY A 218 ARG A 259	None KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.52A	5ghzA-4k0xA: 19.4	5ghzA-4k0xA: 25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5GHZ_B_CEDB301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	7 / 10	ALA A 78 SER A 79 SER A 126 LYS A 216 THR A 217 GLY A 218 ARG A 259	None KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) BCT A 301 (-3.0A)	0.54A	5ghzB-4k0xA: 19.3	5ghzB-4k0xA: 25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5HKG_A_RAPA201_1 (PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP1B)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	PHE A 81 VAL A 147 ILE A 150 PHE A 152 VAL A 195 PHE A 180	None	0.91A	5hkgA-4k0xA: undetectable	5hkgA-4k0xA: 16.94
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.	5WAU_C_CHDC306_0 (CYTOCHROME C OXIDASE SUBUNIT 3 CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	4 / 5	PHE A 180 PHE A 152 LEU A 170 PHE A 164	None	1.30A	5wauC-4k0xA: undetectable 5wauJ-4k0xA: undetectable	5wauC-4k0xA: 19.42 5wauJ-4k0xA: 15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5WAU_C_CHDC308_0 (CYTOCHROME C OXIDASE SUBUNIT 3 CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	4 / 5	PHE A 180 PHE A 152 LEU A 170 PHE A 164	None	1.32A	5wauc-4k0xA: undetectable 5wauj-4k0xA: undetectable	5wauc-4k0xA: 19.42 5wauj-4k0xA: 15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5XDQ_C_CHDC308_0 (CYTOCHROME C OXIDASE SUBUNIT 3 CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	4 / 5	PHE A 180 PHE A 152 LEU A 170 PHE A 164	None	1.32A	5xdqC-4k0xA: undetectable 5xdqJ-4k0xA: undetectable	5xdqC-4k0xA: 19.42 5xdqJ-4k0xA: 15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5XDQ_P_CHDP306_0 (CYTOCHROME C OXIDASE SUBUNIT 3 CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	4 / 5	PHE A 180 PHE A 152 LEU A 170 PHE A 164	None	1.33A	5xdqP-4k0xA: undetectable 5xdqW-4k0xA: undetectable	5xdqP-4k0xA: 19.42 5xdqW-4k0xA: 15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5YW0_A_ACTA409_0 (UNCHARACTERIZED PROTEIN KDOO)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	3 / 3	ASP A 96 PHE A 101 ARG A 137	None	1.04A	5yw0A-4k0xA: undetectable	5yw0A-4k0xA: 24.06
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.	6B5Y_B_9F2B400_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	7 / 12	SER A 79 SER A 126 ARG A 259 LYS A 216 THR A 217 GLY A 218 ASP A 222	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) None	0.88A	6b5yB-4k0xA: 19.1	6b5yB-4k0xA: 16.15
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_D_9F2D400_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	SER A 79 SER A 126 LYS A 216 THR A 217 GLY A 218 ASP A 222	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) None	0.75A	6b5yD-4k0xA: 19.2	6b5yD-4k0xA: 16.15
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.	6B68_B_9F2B301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	SER A 79 SER A 126 LYS A 216 THR A 217 GLY A 218 ASP A 222	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) None	0.64A	6b68B-4k0xA: 19.3	6b68B-4k0xA: 16.15
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.	6B68_D_9F2D400_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	SER A 79 SER A 126 ARG A 259 LYS A 216 GLY A 218 ASP A 222	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.0A) BCT A 301 (-3.4A) None	0.89A	6b68D-4k0xA: 19.3	6b68D-4k0xA: 16.15
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.	6B69_B_9F2B301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	SER A 79 SER A 126 LYS A 216 THR A 217 GLY A 218 ASP A 222	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) None	0.59A	6b69A-4k0xA: 19.2 6b69B-4k0xA: 19.2	6b69A-4k0xA: 16.15 6b69B-4k0xA: 16.15
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.	6B69_D_9F2D301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	SER A 79 SER A 126 ARG A 259 LYS A 216 THR A 217 GLY A 218	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A)	0.75A	6b69D-4k0xA: 19.2	6b69D-4k0xA: 16.15
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.	6B6A_B_9F2B301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	7 / 12	SER A 79 SER A 126 ARG A 259 LYS A 216 THR A 217 GLY A 218 ASP A 222	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) None	0.82A	6b6aB-4k0xA: 19.1	6b6aB-4k0xA: 16.15
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.	6B6A_D_9F2D301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	7 / 12	SER A 79 SER A 126 ARG A 259 LYS A 216 THR A 217 GLY A 218 ASP A 222	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) None	0.80A	6b6aD-4k0xA: 19.1	6b6aD-4k0xA: 16.15
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.	6B6C_A_9F2A301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	SER A 79 SER A 126 ARG A 259 LYS A 216 THR A 217 GLY A 218	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A)	0.83A	6b6cA-4k0xA: 19.3	6b6cA-4k0xA: 16.15
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.	6B6E_A_9F2A302_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	SER A 79 SER A 126 ARG A 259 LYS A 216 THR A 217 GLY A 218	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A)	0.78A	6b6eA-4k0xA: 19.2	6b6eA-4k0xA: 16.15
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.	6B6F_A_9F2A301_1 (BETA-LACTAMASE)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	6 / 12	SER A 79 SER A 126 LYS A 216 THR A 217 GLY A 218 ASP A 222	KCX A 82 (-2.5A) BCT A 301 (-2.8A) BCT A 301 (-3.0A) BCT A 301 (-3.5A) BCT A 301 (-3.4A) None	0.79A	6b6fA-4k0xA: 18.9	6b6fA-4k0xA: 16.15
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.	6FHW_A_ACRA801_2 (GLUCOAMYLASE P)	4k0x	BETA-LACTAMASE (Acinetobacter baumannii)	3 / 3	TRP A 219 GLU A 249 GLU A 253	None	0.92A	6fhwA-4k0xA: undetectable	6fhwA-4k0xA: 14.81

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1A8U_B_BEZB294_0","CHLOROPEROXIDASE T","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",5,"GLY A 151;PHE A 152;LEU A 189;PHE A  81;LEU A  87","None","1.41A","1a8uB-4k0xA:undetectable","1a8uB-4k0xA:21.92"],["1C9H_A_RAPA108_1","FKBP12.6","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"PHE A  81;VAL A 147;ILE A 150;PHE A 152;VAL A 195;PHE A 180","None","0.91A","1c9hA-4k0xA:undetectable","1c9hA-4k0xA:16.94"],["1FKB_A_RAPA108_1","FK506 BINDING PROTEIN","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",5,"GLN A 176;GLU A 177;ILE A 150;ILE A 138;PHE A 191","None","1.14A","1fkbA-4k0xA:undetectable","1fkbA-4k0xA:19.92"],["1GHM_A_CEDA1_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"ALA A  78;SER A  79;SER A 126;LYS A 216;GLY A 218;ARG A 259","None;KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.61A","1ghmA-4k0xA:18.1","1ghmA-4k0xA:25.61"],["2DG4_A_RAPA501_1","FK506-BINDING PROTEIN 1A","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",5,"PHE A  81;VAL A 147;ILE A 150;PHE A 152;PHE A 180","None","0.73A","2dg4A-4k0xA:undetectable","2dg4A-4k0xA:20.75"],["2Y69_C_CHDC1265_0","CYTOCHROME C OXIDASE POLYPEPTIDE 7A1;CYTOCHROME C OXIDASE SUBUNIT 3","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",4,"PHE A 180;PHE A 152;LEU A 170;PHE A 164","None","1.33A","2y69C-4k0xA:undetectable;2y69J-4k0xA:undetectable","2y69C-4k0xA:19.42;2y69J-4k0xA:18.10"],["2Y69_P_CHDP1265_0","CYTOCHROME C OXIDASE POLYPEPTIDE 7A1;CYTOCHROME C OXIDASE SUBUNIT 3","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",4,"PHE A 180;PHE A 152;LEU A 170;PHE A 164","None","1.35A","2y69P-4k0xA:undetectable;2y69W-4k0xA:undetectable","2y69P-4k0xA:19.42;2y69W-4k0xA:18.10"],["3ABM_C_CHDC271_0","CYTOCHROME C OXIDASE POLYPEPTIDE 7A1;CYTOCHROME C OXIDASE SUBUNIT 3","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",4,"PHE A 180;PHE A 152;LEU A 170;PHE A 164","None","1.30A","3abmC-4k0xA:undetectable;3abmJ-4k0xA:undetectable","3abmC-4k0xA:19.42;3abmJ-4k0xA:15.74"],["3ABM_P_CHDP1271_0","CYTOCHROME C OXIDASE POLYPEPTIDE 7A1;CYTOCHROME C OXIDASE SUBUNIT 3","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",4,"PHE A 180;PHE A 152;LEU A 170;PHE A 164","None","1.36A","3abmP-4k0xA:undetectable;3abmW-4k0xA:undetectable","3abmP-4k0xA:19.42;3abmW-4k0xA:15.74"],["3AG3_C_CHDC271_0","CYTOCHROME C OXIDASE POLYPEPTIDE 7A1;CYTOCHROME C OXIDASE SUBUNIT 3","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",4,"PHE A 180;PHE A 152;LEU A 170;PHE A 164","None","1.34A","3ag3C-4k0xA:undetectable;3ag3J-4k0xA:undetectable","3ag3C-4k0xA:19.42;3ag3J-4k0xA:15.74"],["3NY4_A_SMXA308_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",7,"SER A  79;SER A 126;ARG A 259;LYS A 216;THR A 217;GLY A 218;ASP A 222","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);None","0.88A","3ny4A-4k0xA:19.1","3ny4A-4k0xA:20.14"],["3SH8_A_CEDA1_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",7,"ALA A  78;SER A  79;SER A 126;LYS A 216;THR A 217;GLY A 218;ARG A 259","None;KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.52A","3sh8A-4k0xA:19.6","3sh8A-4k0xA:24.58"],["3SH8_B_CEDB1_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"ALA A  78;SER A  79;SER A 126;LYS A 216;GLY A 218;ARG A 259","None;KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.50A","3sh8B-4k0xA:19.7","3sh8B-4k0xA:24.58"],["4DRI_A_RAPA201_1","PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",5,"PHE A  81;GLN A 144;VAL A 147;ILE A 150;PHE A 180","None","1.15A","4driA-4k0xA:undetectable","4driA-4k0xA:22.87"],["4FH2_A_0RNA303_1","BETA-LACTAMASE SHV-1","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",5,"SER A 126;LYS A 216;THR A 217;GLY A 218;ARG A 259","BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.85A","4fh2A-4k0xA:18.3","4fh2A-4k0xA:24.21"],["4N9K_A_CEDA301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",7,"ALA A  78;SER A  79;SER A 126;LYS A 216;THR A 217;GLY A 218;ARG A 259","None;KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.55A","4n9kA-4k0xA:19.5","4n9kA-4k0xA:25.26"],["4N9K_B_CEDB301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",7,"ALA A  78;SER A  79;SER A 126;LYS A 216;THR A 217;GLY A 218;ARG A 259","None;KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.53A","4n9kB-4k0xA:19.3","4n9kB-4k0xA:25.26"],["5GHY_A_CEDA301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"ALA A  78;SER A  79;SER A 126;LYS A 216;GLY A 218;ARG A 259","None;KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.53A","5ghyA-4k0xA:19.6","5ghyA-4k0xA:25.26"],["5GHY_B_CEDB301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"ALA A  78;SER A  79;SER A 126;LYS A 216;GLY A 218;ARG A 259","None;KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.52A","5ghyB-4k0xA:19.4","5ghyB-4k0xA:25.26"],["5GHZ_A_CEDA301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",7,"ALA A  78;SER A  79;SER A 126;LYS A 216;THR A 217;GLY A 218;ARG A 259","None;KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.52A","5ghzA-4k0xA:19.4","5ghzA-4k0xA:25.26"],["5GHZ_B_CEDB301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",7,"ALA A  78;SER A  79;SER A 126;LYS A 216;THR A 217;GLY A 218;ARG A 259","None;KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);BCT A 301 (-3.0A)","0.54A","5ghzB-4k0xA:19.3","5ghzB-4k0xA:25.26"],["5HKG_A_RAPA201_1","PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP1B","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"PHE A  81;VAL A 147;ILE A 150;PHE A 152;VAL A 195;PHE A 180","None","0.91A","5hkgA-4k0xA:undetectable","5hkgA-4k0xA:16.94"],["5WAU_C_CHDC306_0","CYTOCHROME C OXIDASE SUBUNIT 3;CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",4,"PHE A 180;PHE A 152;LEU A 170;PHE A 164","None","1.30A","5wauC-4k0xA:undetectable;5wauJ-4k0xA:undetectable","5wauC-4k0xA:19.42;5wauJ-4k0xA:15.74"],["5WAU_C_CHDC308_0","CYTOCHROME C OXIDASE SUBUNIT 3;CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",4,"PHE A 180;PHE A 152;LEU A 170;PHE A 164","None","1.32A","5wauc-4k0xA:undetectable;5wauj-4k0xA:undetectable","5wauc-4k0xA:19.42;5wauj-4k0xA:15.74"],["5XDQ_C_CHDC308_0","CYTOCHROME C OXIDASE SUBUNIT 3;CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",4,"PHE A 180;PHE A 152;LEU A 170;PHE A 164","None","1.32A","5xdqC-4k0xA:undetectable;5xdqJ-4k0xA:undetectable","5xdqC-4k0xA:19.42;5xdqJ-4k0xA:15.74"],["5XDQ_P_CHDP306_0","CYTOCHROME C OXIDASE SUBUNIT 3;CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",4,"PHE A 180;PHE A 152;LEU A 170;PHE A 164","None","1.33A","5xdqP-4k0xA:undetectable;5xdqW-4k0xA:undetectable","5xdqP-4k0xA:19.42;5xdqW-4k0xA:15.74"],["5YW0_A_ACTA409_0","UNCHARACTERIZED PROTEIN KDOO","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",3,"ASP A  96;PHE A 101;ARG A 137","None","1.04A","5yw0A-4k0xA:undetectable","5yw0A-4k0xA:24.06"],["6B5Y_B_9F2B400_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",7,"SER A  79;SER A 126;ARG A 259;LYS A 216;THR A 217;GLY A 218;ASP A 222","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);None","0.88A","6b5yB-4k0xA:19.1","6b5yB-4k0xA:16.15"],["6B5Y_D_9F2D400_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"SER A  79;SER A 126;LYS A 216;THR A 217;GLY A 218;ASP A 222","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);None","0.75A","6b5yD-4k0xA:19.2","6b5yD-4k0xA:16.15"],["6B68_B_9F2B301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"SER A  79;SER A 126;LYS A 216;THR A 217;GLY A 218;ASP A 222","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);None","0.64A","6b68B-4k0xA:19.3","6b68B-4k0xA:16.15"],["6B68_D_9F2D400_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"SER A  79;SER A 126;ARG A 259;LYS A 216;GLY A 218;ASP A 222","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.0A);BCT A 301 (-3.4A);None","0.89A","6b68D-4k0xA:19.3","6b68D-4k0xA:16.15"],["6B69_B_9F2B301_1","BETA-LACTAMASE;BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"SER A  79;SER A 126;LYS A 216;THR A 217;GLY A 218;ASP A 222","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);None","0.59A","6b69A-4k0xA:19.2;6b69B-4k0xA:19.2","6b69A-4k0xA:16.15;6b69B-4k0xA:16.15"],["6B69_D_9F2D301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"SER A  79;SER A 126;ARG A 259;LYS A 216;THR A 217;GLY A 218","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A)","0.75A","6b69D-4k0xA:19.2","6b69D-4k0xA:16.15"],["6B6A_B_9F2B301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",7,"SER A  79;SER A 126;ARG A 259;LYS A 216;THR A 217;GLY A 218;ASP A 222","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);None","0.82A","6b6aB-4k0xA:19.1","6b6aB-4k0xA:16.15"],["6B6A_D_9F2D301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",7,"SER A  79;SER A 126;ARG A 259;LYS A 216;THR A 217;GLY A 218;ASP A 222","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);None","0.80A","6b6aD-4k0xA:19.1","6b6aD-4k0xA:16.15"],["6B6C_A_9F2A301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"SER A  79;SER A 126;ARG A 259;LYS A 216;THR A 217;GLY A 218","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A)","0.83A","6b6cA-4k0xA:19.3","6b6cA-4k0xA:16.15"],["6B6E_A_9F2A302_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"SER A  79;SER A 126;ARG A 259;LYS A 216;THR A 217;GLY A 218","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A)","0.78A","6b6eA-4k0xA:19.2","6b6eA-4k0xA:16.15"],["6B6F_A_9F2A301_1","BETA-LACTAMASE","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",6,"SER A  79;SER A 126;LYS A 216;THR A 217;GLY A 218;ASP A 222","KCX A  82 (-2.5A);BCT A 301 (-2.8A);BCT A 301 (-3.0A);BCT A 301 (-3.5A);BCT A 301 (-3.4A);None","0.79A","6b6fA-4k0xA:18.9","6b6fA-4k0xA:16.15"],["6FHW_A_ACRA801_2","GLUCOAMYLASE P","4k0x","BETA-LACTAMASE","Acinetobacter baumannii",3,"TRP A 219;GLU A 249;GLU A 253","None","0.92A","6fhwA-4k0xA:undetectable","6fhwA-4k0xA:14.81"]]