SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3a3c'

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.	1A29_A_TFPA154_1 (CALMODULIN)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 10	GLU A 130 GLU A 131 LEU A 135 MET A 224 LEU A 115	None	1.43A	1a29A-3a3cA: undetectable	1a29A-3a3cA: 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.	1C4D_B_DVAB8_0 (GRAMICIDIN A)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	3 / 3	TRP A 158 VAL A 259 TRP A 340	None None MAL A 466 (-2.6A)	1.26A	1c4dA-3a3cA: undetectable 1c4dB-3a3cA: undetectable	1c4dA-3a3cA: 5.21 1c4dB-3a3cA: 5.21
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.	1LHV_A_NOGA301_1 (SEX HORMONE-BINDING GLOBULIN)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 8	SER A 255 THR A 225 ASN A 150 LEU A 247	None	1.12A	1lhvA-3a3cA: undetectable	1lhvA-3a3cA: 18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1QU2_A_MRCA1993_2 (ISOLEUCYL-TRNA SYNTHETASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	3 / 3	GLU A 111 TRP A 230 LYS A 273	MAL A 466 (-3.1A) MAL A 466 (-3.7A) None	1.43A	1qu2A-3a3cA: undetectable	1qu2A-3a3cA: 19.37
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.	2AOH_C_FRDC305_2 (POL POLYPROTEIN PEPTIDE INHIBITOR)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 5	LEU A 262 GLY A 289 ALA A 109 ILE A 108	None	0.77A	2aohB-3a3cA: undetectable	2aohB-3a3cA: 13.73
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.	2PYM_A_1UNA1001_3 (PROTEASE RETROPEPSIN)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	3 / 3	ASP A 120 ASN A 118 THR A 245	None	0.66A	2pymB-3a3cA: undetectable	2pymB-3a3cA: 13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q63_A_1UNA1001_4 (PROTEASE RETROPEPSIN)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	3 / 3	ASP A 120 ASN A 118 THR A 245	None	0.74A	2q63B-3a3cA: undetectable	2q63B-3a3cA: 13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2Q6O_A_SAMA500_0 (HYPOTHETICAL PROTEIN)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 7	VAL A 97 ALA A 105 PHE A 92 PRO A 91	None	0.81A	2q6oA-3a3cA: undetectable	2q6oA-3a3cA: 21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2QMZ_B_LDPB502_1 (RIBOSYLDIHYDRONICOTI NAMIDE DEHYDROGENASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 5	PHE A 415 PHE A 411 TRP A 394 GLY A 400	None	1.05A	2qmzA-3a3cA: undetectable 2qmzB-3a3cA: undetectable	2qmzA-3a3cA: 20.14 2qmzB-3a3cA: 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.	2QR2_B_VK3B235_1 (PROTEIN (QUINONE REDUCTASE TYPE 2))	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 6	PHE A 415 PHE A 411 TRP A 394 GLY A 400	None	1.00A	2qr2A-3a3cA: undetectable 2qr2B-3a3cA: undetectable	2qr2A-3a3cA: 20.14 2qr2B-3a3cA: 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.	2QR2_B_VK3B236_1 (PROTEIN (QUINONE REDUCTASE TYPE 2))	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 5	TRP A 394 GLY A 400 PHE A 415 PHE A 411	None	0.95A	2qr2A-3a3cA: undetectable 2qr2B-3a3cA: undetectable	2qr2A-3a3cA: 20.14 2qr2B-3a3cA: 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.	2QWX_B_ML1B233_1 (RIBOSYLDIHYDRONICOTI NAMIDE DEHYDROGENASE [QUINONE])	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 7	TRP A 394 GLY A 400 PHE A 415 PHE A 411	None	0.93A	2qwxA-3a3cA: undetectable 2qwxB-3a3cA: undetectable	2qwxA-3a3cA: 20.32 2qwxB-3a3cA: 20.32
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.	2VE3_A_REAA1445_1 (PUTATIVE CYTOCHROME P450 120)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 12	ALA A 264 LEU A 280 PHE A 279 VAL A 293 GLY A 16	None	1.05A	2ve3A-3a3cA: undetectable	2ve3A-3a3cA: 21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2XKW_B_P1BB1475_2 (PEROXISOME PROLIFERATOR-ACTIVAT ED RECEPTOR GAMMA)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 6	LEU A 247 ILE A 226 ILE A 348 LEU A 192	None	0.96A	2xkwB-3a3cA: undetectable	2xkwB-3a3cA: 19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3BGD_A_PM6A301_1 (THIOPURINE S-METHYLTRANSFERASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 6	PHE A 258 ALA A 162 LEU A 247 PRO A 159	None	0.99A	3bgdA-3a3cA: undetectable	3bgdA-3a3cA: 19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3BJW_C_SVRC507_1 (PHOSPHOLIPASE A2)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 7	VAL A 110 GLY A 300 PRO A 229 LYS A 305	None	0.90A	3bjwC-3a3cA: undetectable	3bjwC-3a3cA: 13.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3JYR_A_ACRA371_1 (MALTOSE-BINDING PERIPLASMIC PROTEIN)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	9 / 12	ASP A 14 LYS A 15 GLU A 44 GLU A 45 ALA A 63 ASP A 65 GLU A 111 PRO A 154 TRP A 230	MAL A 466 (-4.3A) MAL A 466 (-3.2A) None None MAL A 466 (-3.1A) MAL A 466 (-2.7A) MAL A 466 (-3.1A) MAL A 466 (-3.6A) MAL A 466 (-3.7A)	0.46A	3jyrA-3a3cA: 60.2	3jyrA-3a3cA: 77.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3JYR_A_ACRA371_2 (MALTOSE-BINDING PERIPLASMIC PROTEIN)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	6 / 7	ASN A 12 TRP A 62 GLU A 153 TYR A 155 MET A 330 TRP A 340	None MAL A 466 (-3.6A) MAL A 466 (-3.6A) MAL A 466 (-4.2A) None MAL A 466 (-2.6A)	0.25A	3jyrA-3a3cA: 60.2	3jyrA-3a3cA: 77.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3MB5_A_SAMA301_0 (SAM-DEPENDENT METHYLTRANSFERASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 12	ALA A 162 LEU A 160 ILE A 348 ARG A 344 LEU A 151	None	1.05A	3mb5A-3a3cA: undetectable	3mb5A-3a3cA: 21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3TBG_B_RTZB1_1 (CYTOCHROME P450 2D6)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 12	PHE A 156 GLY A 300 LEU A 299 GLU A 111 ALA A 231	None None None MAL A 466 (-3.1A) None	0.89A	3tbgB-3a3cA: undetectable	3tbgB-3a3cA: 21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3TBG_D_RTZD1_1 (CYTOCHROME P450 2D6)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 12	PHE A 156 GLY A 300 LEU A 299 GLU A 111 ALA A 231	None None None MAL A 466 (-3.1A) None	0.88A	3tbgD-3a3cA: undetectable	3tbgD-3a3cA: 21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3VWR_A_ACAA601_1 (6-AMINOHEXANOATE-DIM ER HYDROLASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 11	ALA A 231 ASP A 296 TYR A 210 ASN A 234 GLY A 228	None	1.28A	3vwrA-3a3cA: 0.0	3vwrA-3a3cA: 20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3VYW_A_SAMA501_1 (MNMC2)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 6	GLU A 308 ASP A 314 ASP A 287 ASN A 294	None	1.33A	3vywA-3a3cA: undetectable	3vywA-3a3cA: 20.90
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.	3VYW_D_SAMD401_1 (MNMC2)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 5	GLU A 308 ASP A 314 ASP A 287 ASN A 294	None	1.33A	3vywD-3a3cA: undetectable	3vywD-3a3cA: 20.90
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.	4KIC_B_SAMB401_1 (METHYLTRANSFERASE MPPJ)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	3 / 3	ARG A 354 ASP A 363 ASP A 184	None	0.89A	4kicB-3a3cA: undetectable	4kicB-3a3cA: 20.68
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.	4M2X_G_TMQG202_1 (DIHYDROFOLATE REDUCTASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 12	ILE A 266 ALA A 105 LEU A 20 VAL A 23 ILE A 59	None	1.10A	4m2xG-3a3cA: undetectable	4m2xG-3a3cA: 17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4RYA_A_MTLA501_1 (ABC TRANSPORTER SUBSTRATE BINDING PROTEIN (SORBITOL))	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	3 / 3	GLU A 274 TYR A 106 GLU A 281	None	0.72A	4ryaA-3a3cA: 32.5	4ryaA-3a3cA: 25.91
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.	5LJB_A_RTLA201_0 (RETINOL-BINDING PROTEIN 1)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 12	PHE A 411 PRO A 381 SER A 398 TYR A 385 ILE A 392	None	1.37A	5ljbA-3a3cA: undetectable	5ljbA-3a3cA: 15.37
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.	5SXQ_A_NIZA808_1 (CATALASE-PEROXIDASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	4 / 8	VAL A 343 GLY A 191 LEU A 195 THR A 193	None	1.01A	5sxqA-3a3cA: undetectable	5sxqA-3a3cA: 21.21
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.	5W4Z_A_RBFA502_1 (RIBOFLAVIN LYASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	6 / 12	ALA A 342 ALA A 338 GLY A 166 ALA A 188 PHE A 169 VAL A 181	None	1.40A	5w4zA-3a3cA: undetectable	5w4zA-3a3cA: 10.75
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.	5W4Z_B_RBFB502_1 (RIBOFLAVIN LYASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	6 / 12	ALA A 342 ALA A 338 GLY A 166 ALA A 188 PHE A 169 VAL A 181	None	1.43A	5w4zB-3a3cA: undetectable	5w4zB-3a3cA: 10.75
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.	6B58_A_ACTA603_0 (FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	3 / 3	TYR A 155 ASN A 227 LEU A 113	MAL A 466 (-4.2A) None None	0.68A	6b58A-3a3cA: undetectable	6b58A-3a3cA: 22.15
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.	6BM5_A_SAMA1301_0 (METHIONINE SYNTHASE)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 11	PRO A 133 GLU A 130 PRO A 254 ALA A 163 PRO A 159	None	1.47A	6bm5A-3a3cA: undetectable	6bm5A-3a3cA: 23.13
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.	6ECX_A_SAMA1301_0 (STIE PROTEIN)	3a3c	MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40 (Escherichia coli; Saccharomyces cerevisiae; synthetic construct)	5 / 12	LEU A 275 GLY A 24 VAL A 35 LEU A 7 ILE A 9	None	0.94A	6ecxA-3a3cA: undetectable	6ecxA-3a3cA: 22.44

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1A29_A_TFPA154_1","CALMODULIN","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"GLU A 130;GLU A 131;LEU A 135;MET A 224;LEU A 115","None","1.43A","1a29A-3a3cA:undetectable","1a29A-3a3cA:16.04"],["1C4D_B_DVAB8_0","GRAMICIDIN A","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",3,"TRP A 158;VAL A 259;TRP A 340","None;None;MAL A 466 (-2.6A)","1.26A","1c4dA-3a3cA:undetectable;1c4dB-3a3cA:undetectable","1c4dA-3a3cA:5.21;1c4dB-3a3cA:5.21"],["1LHV_A_NOGA301_1","SEX HORMONE-BINDING GLOBULIN","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"SER A 255;THR A 225;ASN A 150;LEU A 247","None","1.12A","1lhvA-3a3cA:undetectable","1lhvA-3a3cA:18.29"],["1QU2_A_MRCA1993_2","ISOLEUCYL-TRNA SYNTHETASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",3,"GLU A 111;TRP A 230;LYS A 273","MAL A 466 (-3.1A);MAL A 466 (-3.7A);None","1.43A","1qu2A-3a3cA:undetectable","1qu2A-3a3cA:19.37"],["2AOH_C_FRDC305_2","POL POLYPROTEIN;PEPTIDE INHIBITOR","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"LEU A 262;GLY A 289;ALA A 109;ILE A 108","None","0.77A","2aohB-3a3cA:undetectable","2aohB-3a3cA:13.73"],["2PYM_A_1UNA1001_3","PROTEASE RETROPEPSIN;PROTEASE RETROPEPSIN","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",3,"ASP A 120;ASN A 118;THR A 245","None","0.66A","2pymB-3a3cA:undetectable","2pymB-3a3cA:13.44"],["2Q63_A_1UNA1001_4","PROTEASE RETROPEPSIN;PROTEASE RETROPEPSIN","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",3,"ASP A 120;ASN A 118;THR A 245","None","0.74A","2q63B-3a3cA:undetectable","2q63B-3a3cA:13.18"],["2Q6O_A_SAMA500_0","HYPOTHETICAL PROTEIN","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"VAL A  97;ALA A 105;PHE A  92;PRO A  91","None","0.81A","2q6oA-3a3cA:undetectable","2q6oA-3a3cA:21.67"],["2QMZ_B_LDPB502_1","RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE;RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"PHE A 415;PHE A 411;TRP A 394;GLY A 400","None","1.05A","2qmzA-3a3cA:undetectable;2qmzB-3a3cA:undetectable","2qmzA-3a3cA:20.14;2qmzB-3a3cA:20.14"],["2QR2_B_VK3B235_1","PROTEIN (QUINONE REDUCTASE TYPE 2);PROTEIN (QUINONE REDUCTASE TYPE 2)","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"PHE A 415;PHE A 411;TRP A 394;GLY A 400","None","1.00A","2qr2A-3a3cA:undetectable;2qr2B-3a3cA:undetectable","2qr2A-3a3cA:20.14;2qr2B-3a3cA:20.14"],["2QR2_B_VK3B236_1","PROTEIN (QUINONE REDUCTASE TYPE 2);PROTEIN (QUINONE REDUCTASE TYPE 2)","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"TRP A 394;GLY A 400;PHE A 415;PHE A 411","None","0.95A","2qr2A-3a3cA:undetectable;2qr2B-3a3cA:undetectable","2qr2A-3a3cA:20.14;2qr2B-3a3cA:20.14"],["2QWX_B_ML1B233_1","RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE];RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE]","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"TRP A 394;GLY A 400;PHE A 415;PHE A 411","None","0.93A","2qwxA-3a3cA:undetectable;2qwxB-3a3cA:undetectable","2qwxA-3a3cA:20.32;2qwxB-3a3cA:20.32"],["2VE3_A_REAA1445_1","PUTATIVE CYTOCHROME P450 120","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"ALA A 264;LEU A 280;PHE A 279;VAL A 293;GLY A  16","None","1.05A","2ve3A-3a3cA:undetectable","2ve3A-3a3cA:21.22"],["2XKW_B_P1BB1475_2","PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"LEU A 247;ILE A 226;ILE A 348;LEU A 192","None","0.96A","2xkwB-3a3cA:undetectable","2xkwB-3a3cA:19.96"],["3BGD_A_PM6A301_1","THIOPURINE S-METHYLTRANSFERASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"PHE A 258;ALA A 162;LEU A 247;PRO A 159","None","0.99A","3bgdA-3a3cA:undetectable","3bgdA-3a3cA:19.96"],["3BJW_C_SVRC507_1","PHOSPHOLIPASE A2","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"VAL A 110;GLY A 300;PRO A 229;LYS A 305","None","0.90A","3bjwC-3a3cA:undetectable","3bjwC-3a3cA:13.67"],["3JYR_A_ACRA371_1","MALTOSE-BINDING PERIPLASMIC PROTEIN","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",9,"ASP A  14;LYS A  15;GLU A  44;GLU A  45;ALA A  63;ASP A  65;GLU A 111;PRO A 154;TRP A 230","MAL A 466 (-4.3A);MAL A 466 (-3.2A);None;None;MAL A 466 (-3.1A);MAL A 466 (-2.7A);MAL A 466 (-3.1A);MAL A 466 (-3.6A);MAL A 466 (-3.7A)","0.46A","3jyrA-3a3cA:60.2","3jyrA-3a3cA:77.16"],["3JYR_A_ACRA371_2","MALTOSE-BINDING PERIPLASMIC PROTEIN","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",6,"ASN A  12;TRP A  62;GLU A 153;TYR A 155;MET A 330;TRP A 340","None;MAL A 466 (-3.6A);MAL A 466 (-3.6A);MAL A 466 (-4.2A);None;MAL A 466 (-2.6A)","0.25A","3jyrA-3a3cA:60.2","3jyrA-3a3cA:77.16"],["3MB5_A_SAMA301_0","SAM-DEPENDENT METHYLTRANSFERASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"ALA A 162;LEU A 160;ILE A 348;ARG A 344;LEU A 151","None","1.05A","3mb5A-3a3cA:undetectable","3mb5A-3a3cA:21.79"],["3TBG_B_RTZB1_1","CYTOCHROME P450 2D6","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"PHE A 156;GLY A 300;LEU A 299;GLU A 111;ALA A 231","None;None;None;MAL A 466 (-3.1A);None","0.89A","3tbgB-3a3cA:undetectable","3tbgB-3a3cA:21.60"],["3TBG_D_RTZD1_1","CYTOCHROME P450 2D6","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"PHE A 156;GLY A 300;LEU A 299;GLU A 111;ALA A 231","None;None;None;MAL A 466 (-3.1A);None","0.88A","3tbgD-3a3cA:undetectable","3tbgD-3a3cA:21.60"],["3VWR_A_ACAA601_1","6-AMINOHEXANOATE-DIMER HYDROLASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"ALA A 231;ASP A 296;TYR A 210;ASN A 234;GLY A 228","None","1.28A","3vwrA-3a3cA:0.0","3vwrA-3a3cA:20.99"],["3VYW_A_SAMA501_1","MNMC2","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"GLU A 308;ASP A 314;ASP A 287;ASN A 294","None","1.33A","3vywA-3a3cA:undetectable","3vywA-3a3cA:20.90"],["3VYW_D_SAMD401_1","MNMC2","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"GLU A 308;ASP A 314;ASP A 287;ASN A 294","None","1.33A","3vywD-3a3cA:undetectable","3vywD-3a3cA:20.90"],["4KIC_B_SAMB401_1","METHYLTRANSFERASE MPPJ","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",3,"ARG A 354;ASP A 363;ASP A 184","None","0.89A","4kicB-3a3cA:undetectable","4kicB-3a3cA:20.68"],["4M2X_G_TMQG202_1","DIHYDROFOLATE REDUCTASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"ILE A 266;ALA A 105;LEU A  20;VAL A  23;ILE A  59","None","1.10A","4m2xG-3a3cA:undetectable","4m2xG-3a3cA:17.09"],["4RYA_A_MTLA501_1","ABC TRANSPORTER SUBSTRATE BINDING PROTEIN (SORBITOL)","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",3,"GLU A 274;TYR A 106;GLU A 281","None","0.72A","4ryaA-3a3cA:32.5","4ryaA-3a3cA:25.91"],["5LJB_A_RTLA201_0","RETINOL-BINDING PROTEIN 1","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"PHE A 411;PRO A 381;SER A 398;TYR A 385;ILE A 392","None","1.37A","5ljbA-3a3cA:undetectable","5ljbA-3a3cA:15.37"],["5SXQ_A_NIZA808_1","CATALASE-PEROXIDASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",4,"VAL A 343;GLY A 191;LEU A 195;THR A 193","None","1.01A","5sxqA-3a3cA:undetectable","5sxqA-3a3cA:21.21"],["5W4Z_A_RBFA502_1","RIBOFLAVIN LYASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",6,"ALA A 342;ALA A 338;GLY A 166;ALA A 188;PHE A 169;VAL A 181","None","1.40A","5w4zA-3a3cA:undetectable","5w4zA-3a3cA:10.75"],["5W4Z_B_RBFB502_1","RIBOFLAVIN LYASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",6,"ALA A 342;ALA A 338;GLY A 166;ALA A 188;PHE A 169;VAL A 181","None","1.43A","5w4zB-3a3cA:undetectable","5w4zB-3a3cA:10.75"],["6B58_A_ACTA603_0","FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",3,"TYR A 155;ASN A 227;LEU A 113","MAL A 466 (-4.2A);None;None","0.68A","6b58A-3a3cA:undetectable","6b58A-3a3cA:22.15"],["6BM5_A_SAMA1301_0","METHIONINE SYNTHASE","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"PRO A 133;GLU A 130;PRO A 254;ALA A 163;PRO A 159","None","1.47A","6bm5A-3a3cA:undetectable","6bm5A-3a3cA:23.13"],["6ECX_A_SAMA1301_0","STIE PROTEIN","3a3c","MALTOSE-BINDING PERIPLASMIC PROTEIN, LINKER, MITOCHONDRIAL INTERMEMBRANE SPACE IMPORT AND ASSEMBLY PROTEIN 40","Escherichia coli;Saccharomyces cerevisiae;synthetic construct",5,"LEU A 275;GLY A  24;VAL A  35;LEU A   7;ILE A   9","None","0.94A","6ecxA-3a3cA:undetectable","6ecxA-3a3cA:22.44"]]