SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ain'

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.	1BX4_A_ADNA355_1 (PROTEIN (ADENOSINE KINASE))	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	GLY A 382 VAL A 475 ILE A 388 ALA A 148 GLY A 149	None	0.91A	1bx4A-4ainA: undetectable	1bx4A-4ainA: 21.13
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.	1BZF_A_TMQA170_1 (DIHYDROFOLATE REDUCTASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	LEU A 312 ALA A 457 LEU A 440 PHE A 464 ALA A 313	None	0.96A	1bzfA-4ainA: undetectable	1bzfA-4ainA: 14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1GSF_A_EAAA223_1 (GLUTATHIONE TRANSFERASE A1-1)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 8	PHE A 423 GLY A 418 LEU A 332 VAL A 327	None	1.04A	1gsfA-4ainA: undetectable	1gsfA-4ainA: 16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1GSF_B_EAAB223_1 (GLUTATHIONE TRANSFERASE A1-1)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 8	PHE A 423 GLY A 418 LEU A 332 VAL A 327	None	1.05A	1gsfB-4ainA: undetectable	1gsfB-4ainA: 16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1GSF_D_EAAD223_1 (GLUTATHIONE TRANSFERASE A1-1)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 8	PHE A 423 GLY A 418 LEU A 332 VAL A 327	None	1.04A	1gsfD-4ainA: undetectable	1gsfD-4ainA: 16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1IGX_A_EPAA700_1 (PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	LEU A 440 GLY A 417 ALA A 420 GLY A 324 LEU A 447	None	1.11A	1igxA-4ainA: 0.0	1igxA-4ainA: 23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1P91_B_SAMB2401_0 (RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE A)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	GLY A 128 GLY A 391 ILE A 394 LEU A 536 PRO A 223	None	1.04A	1p91B-4ainA: undetectable	1p91B-4ainA: 18.73
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.	1UDU_B_CIAB2003_1 (CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	ALA A 66 ILE A 69 ILE A 243 VAL A 247 LEU A 506	None	1.07A	1uduB-4ainA: undetectable	1uduB-4ainA: 21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1XOZ_A_CIAA501_1 (CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	ALA A 66 ILE A 69 ILE A 243 VAL A 247 LEU A 506	None	0.91A	1xozA-4ainA: undetectable	1xozA-4ainA: 20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2A1H_A_GBNA502_1 (BRANCHED CHAIN AMINOTRANSFERASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 8	GLY A 249 THR A 246 ALA A 245 VAL A 533	None	0.76A	2a1hA-4ainA: undetectable 2a1hB-4ainA: undetectable	2a1hA-4ainA: 20.68 2a1hB-4ainA: 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.	2DPM_A_SAMA300_0 (PROTEIN (ADENINE-SPECIFIC METHYLTRANSFERASE DPNII 1))	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	GLY A 179 PHE A 413 GLY A 335 PHE A 416 PRO A 162	None	1.07A	2dpmA-4ainA: undetectable	2dpmA-4ainA: 16.73
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.	2GVC_B_MMZB501_1 (MONOOXYGENASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	3 / 3	ASN A 426 TYR A 166 SER A 429	None	0.92A	2gvcB-4ainA: undetectable	2gvcB-4ainA: 21.75
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.	2GVC_E_MMZE501_1 (MONOOXYGENASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	3 / 3	ASN A 426 TYR A 166 SER A 429	None	0.94A	2gvcE-4ainA: undetectable	2gvcE-4ainA: 21.75
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.	2KOT_B_ANWB99_0 (PROTEIN S100-A13)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 8	ALA A 251 VAL A 521 THR A 522 PHE A 248	None	1.15A	2kotB-4ainA: undetectable	2kotB-4ainA: 10.41
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.	2QK8_A_MTXA200_2 (DIHYDROFOLATE REDUCTASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 4	MET A 182 LEU A 341 ASN A 343 THR A 410	None	1.35A	2qk8A-4ainA: undetectable	2qk8A-4ainA: 13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2XDC_D_DVAD6_0 (GRAMICIDIN A)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 5	TRP A 490 TRP A 495 ALA A 493 VAL A 491	None	1.39A	2xdcC-4ainA: undetectable 2xdcD-4ainA: undetectable	2xdcC-4ainA: 4.28 2xdcD-4ainA: 4.28
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.	2XDC_F_DVAF6_0 (GRAMICIDIN A)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 5	TRP A 490 TRP A 495 ALA A 493 VAL A 491	None	1.39A	2xdcE-4ainA: undetectable 2xdcF-4ainA: undetectable	2xdcE-4ainA: 4.28 2xdcF-4ainA: 4.28
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.	2Y5M_D_DVAD6_0 (VAL-GRAMICIDIN A)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 5	TRP A 490 TRP A 495 ALA A 493 VAL A 491	None	1.38A	2y5mC-4ainA: undetectable 2y5mD-4ainA: undetectable	2y5mC-4ainA: 4.28 2y5mD-4ainA: 4.28
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.	2Y5M_F_DVAF6_0 (VAL-GRAMICIDIN A)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 5	TRP A 490 TRP A 495 ALA A 493 VAL A 491	None	1.37A	2y5mE-4ainA: undetectable 2y5mF-4ainA: undetectable	2y5mE-4ainA: 4.28 2y5mF-4ainA: 4.28
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.	2Y6N_D_DVAD6_0 (VAL-GRAMICIDIN A)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 5	TRP A 490 TRP A 495 ALA A 493 VAL A 491	None	1.38A	2y6nC-4ainA: undetectable 2y6nD-4ainA: undetectable	2y6nC-4ainA: 4.28 2y6nD-4ainA: 4.28
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.	2Y6N_F_DVAF6_0 (VAL-GRAMICIDIN A)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 5	TRP A 490 TRP A 495 ALA A 493 VAL A 491	None	1.38A	2y6nE-4ainA: undetectable 2y6nF-4ainA: undetectable	2y6nE-4ainA: 4.28 2y6nF-4ainA: 4.28
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.	3AG1_O_CHDO229_0 (CYTOCHROME C OXIDASE SUBUNIT 1 CYTOCHROME C OXIDASE SUBUNIT 2 CYTOCHROME C OXIDASE SUBUNIT 6A2)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 11	PHE A 416 GLY A 418 MET A 186 GLU A 161 THR A 164	None	1.44A	3ag1G-4ainA: undetectable 3ag1N-4ainA: 0.1 3ag1O-4ainA: undetectable	3ag1G-4ainA: 10.95 3ag1N-4ainA: 24.35 3ag1O-4ainA: 17.16
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.	3FSU_A_C2FA995_0 (5,10-METHYLENETETRAH YDROFOLATE REDUCTASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	THR A 185 SER A 429 GLN A 425 LEU A 163 ARG A 167	None	1.40A	3fsuA-4ainA: undetectable	3fsuA-4ainA: 20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3FSU_E_C2FE995_0 (5,10-METHYLENETETRAH YDROFOLATE REDUCTASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 11	THR A 185 SER A 429 GLN A 425 LEU A 163 ARG A 167	None	1.46A	3fsuE-4ainA: undetectable	3fsuE-4ainA: 20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3HS6_B_EPAB1_1 (PROSTAGLANDIN G/H SYNTHASE 2)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	GLY A 255 GLY A 496 ALA A 498 GLY A 503 LEU A 504	None	0.98A	3hs6B-4ainA: undetectable	3hs6B-4ainA: 18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3HS6_B_EPAB1_1 (PROSTAGLANDIN G/H SYNTHASE 2)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	GLY A 454 GLY A 257 ALA A 258 GLY A 264 LEU A 265	None	0.86A	3hs6B-4ainA: undetectable	3hs6B-4ainA: 18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3IK6_B_HCZB800_1 (GLUTAMATE RECEPTOR 2)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 10	SER A 336 ILE A 421 PRO A 162 SER A 414 GLY A 418	None	1.41A	3ik6B-4ainA: undetectable 3ik6E-4ainA: undetectable	3ik6B-4ainA: 19.67 3ik6E-4ainA: 19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3LSF_E_PZIE802_0 (GLUTAMATE RECEPTOR 2)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	3 / 3	ASP A 239 ASN A 59 SER A 218	None	1.01A	3lsfB-4ainA: undetectable 3lsfE-4ainA: undetectable	3lsfB-4ainA: 19.67 3lsfE-4ainA: 19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3LSL_A_PZIA802_0 (GLUTAMATE RECEPTOR 2)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	3 / 3	ASP A 239 ASN A 59 SER A 219	None	0.98A	3lslA-4ainA: undetectable 3lslD-4ainA: undetectable	3lslA-4ainA: 19.67 3lslD-4ainA: 19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3RUK_B_AERB601_1 (STEROID 17-ALPHA-HYDROXYLASE /17,20 LYASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	ALA A 242 PHE A 529 ILE A 196 ILE A 199 GLY A 382	None	1.07A	3rukB-4ainA: undetectable	3rukB-4ainA: 22.31
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.	3SMT_A_ACTA500_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SETD3)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	3 / 3	PHE A 136 SER A 140 GLN A 303	None	0.94A	3smtA-4ainA: undetectable	3smtA-4ainA: 22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3SUF_A_SUEA1201_1 (NS3 PROTEASE, NS4A PROTEIN)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	GLY A 149 ARG A 390 LEU A 202 ALA A 386 ALA A 205	None	0.92A	3sufA-4ainA: undetectable	3sufA-4ainA: 17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4IK6_B_LURB201_1 (TRANSTHYRETIN)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 8	LEU A 403 THR A 410 ALA A 406 LEU A 402	None	0.96A	4ik6B-4ainA: undetectable	4ik6B-4ainA: 13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4M93_B_ACTB303_0 (S25-26 FAB (IGG1K) HEAVY CHAIN S25-26 FAB (IGG1K) LIGHT CHAIN)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 5	GLY A 264 SER A 266 ALA A 267 GLU A 438	None	1.03A	4m93B-4ainA: undetectable 4m93C-4ainA: undetectable	4m93B-4ainA: 17.10 4m93C-4ainA: 16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4NKX_A_STRA601_1 (STEROID 17-ALPHA-HYDROXYLASE /17,20 LYASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	ALA A 242 PHE A 529 ILE A 196 ILE A 199 GLY A 382	None	1.04A	4nkxA-4ainA: undetectable	4nkxA-4ainA: 22.78
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.	4NPT_A_017A401_1 (PROTEASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 9	ALA A 525 ILE A 240 MET A 476 THR A 499 ILE A 502	None	1.05A	4nptA-4ainA: undetectable	4nptA-4ainA: 11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4PST_A_FOLA201_1 (DIHYDROFOLATE REDUCTASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	3 / 3	ILE A 204 ASP A 239 ARG A 387	None	0.69A	4pstA-4ainA: undetectable	4pstA-4ainA: 14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4WNW_A_RTZA602_1 (CYTOCHROME P450 2D6)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	LEU A 399 GLY A 201 LEU A 385 SER A 389 VAL A 404	None	1.15A	4wnwA-4ainA: 0.4	4wnwA-4ainA: 21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ZE1_A_X2NA602_2 (LANOSTEROL 14-ALPHA DEMETHYLASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 5	VAL A 524 ILE A 388 PRO A 379 THR A 474	None	1.14A	4ze1A-4ainA: undetectable	4ze1A-4ainA: 22.28
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.	5CP4_A_CAMA422_0 (CYTOCHROME P450CAM)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 9	PHE A 84 THR A 73 LEU A 518 GLY A 503 VAL A 74	None	1.38A	5cp4A-4ainA: undetectable	5cp4A-4ainA: 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.	5FSA_B_X2NB590_1 (CYP51 VARIANT1)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	PHE A 380 TYR A 197 GLY A 249 THR A 522 PHE A 110	None	1.22A	5fsaB-4ainA: undetectable	5fsaB-4ainA: 20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5HIE_C_P06C801_2 (SERINE/THREONINE-PRO TEIN KINASE B-RAF)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 7	ILE A 238 VAL A 109 ILE A 199 PHE A 106	None	0.98A	5hieC-4ainA: undetectable	5hieC-4ainA: 21.23
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.	5JLC_A_1YNA602_1 (LANOSTEROL 14-ALPHA DEMETHYLASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	PHE A 380 TYR A 197 GLY A 249 THR A 522 PHE A 110	None	1.26A	5jlcA-4ainA: 2.0	5jlcA-4ainA: 21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5TUD_A_ERMA2001_1 (5-HYDROXYTRYPTAMINE RECEPTOR 2B,SOLUBLE CYTOCHROME B562 CHIMERA)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	VAL A 497 ALA A 525 LEU A 67 LEU A 71 VAL A 74	None	1.17A	5tudA-4ainA: 2.0	5tudA-4ainA: 23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5V5Z_A_1YNA602_1 (LANOSTEROL 14-ALPHA DEMETHYLASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	5 / 12	PHE A 380 TYR A 197 GLY A 249 THR A 522 PHE A 110	None	1.16A	5v5zA-4ainA: undetectable	5v5zA-4ainA: 21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6BRD_B_RFPB502_1 (RIFAMPIN MONOOXYGENASE)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	6 / 12	GLY A 201 VAL A 200 PHE A 529 THR A 246 GLY A 249 MET A 479	None	1.35A	6brdB-4ainA: undetectable	6brdB-4ainA: 10.10
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.	6FGD_A_ACTA812_0 (GEPHYRIN)	4ain	GLYCINE BETAINE TRANSPORTER BETP (Corynebacterium glutamicum)	4 / 6	GLU A 132 ARG A 390 PHE A 209 VAL A 211	None	1.28A	6fgdA-4ainA: undetectable	6fgdA-4ainA: 20.73

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1BX4_A_ADNA355_1","PROTEIN (ADENOSINE KINASE)","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"GLY A 382;VAL A 475;ILE A 388;ALA A 148;GLY A 149","None","0.91A","1bx4A-4ainA:undetectable","1bx4A-4ainA:21.13"],["1BZF_A_TMQA170_1","DIHYDROFOLATE REDUCTASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"LEU A 312;ALA A 457;LEU A 440;PHE A 464;ALA A 313","None","0.96A","1bzfA-4ainA:undetectable","1bzfA-4ainA:14.63"],["1GSF_A_EAAA223_1","GLUTATHIONE TRANSFERASE A1-1","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"PHE A 423;GLY A 418;LEU A 332;VAL A 327","None","1.04A","1gsfA-4ainA:undetectable","1gsfA-4ainA:16.70"],["1GSF_B_EAAB223_1","GLUTATHIONE TRANSFERASE A1-1","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"PHE A 423;GLY A 418;LEU A 332;VAL A 327","None","1.05A","1gsfB-4ainA:undetectable","1gsfB-4ainA:16.70"],["1GSF_D_EAAD223_1","GLUTATHIONE TRANSFERASE A1-1","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"PHE A 423;GLY A 418;LEU A 332;VAL A 327","None","1.04A","1gsfD-4ainA:undetectable","1gsfD-4ainA:16.70"],["1IGX_A_EPAA700_1","PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"LEU A 440;GLY A 417;ALA A 420;GLY A 324;LEU A 447","None","1.11A","1igxA-4ainA:0.0","1igxA-4ainA:23.51"],["1P91_B_SAMB2401_0","RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE A","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"GLY A 128;GLY A 391;ILE A 394;LEU A 536;PRO A 223","None","1.04A","1p91B-4ainA:undetectable","1p91B-4ainA:18.73"],["1UDU_B_CIAB2003_1","CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"ALA A  66;ILE A  69;ILE A 243;VAL A 247;LEU A 506","None","1.07A","1uduB-4ainA:undetectable","1uduB-4ainA:21.50"],["1XOZ_A_CIAA501_1","CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"ALA A  66;ILE A  69;ILE A 243;VAL A 247;LEU A 506","None","0.91A","1xozA-4ainA:undetectable","1xozA-4ainA:20.88"],["2A1H_A_GBNA502_1","BRANCHED CHAIN AMINOTRANSFERASE;BRANCHED CHAIN AMINOTRANSFERASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"GLY A 249;THR A 246;ALA A 245;VAL A 533","None","0.76A","2a1hA-4ainA:undetectable;2a1hB-4ainA:undetectable","2a1hA-4ainA:20.68;2a1hB-4ainA:20.68"],["2DPM_A_SAMA300_0","PROTEIN (ADENINE-SPECIFIC METHYLTRANSFERASE DPNII 1)","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"GLY A 179;PHE A 413;GLY A 335;PHE A 416;PRO A 162","None","1.07A","2dpmA-4ainA:undetectable","2dpmA-4ainA:16.73"],["2GVC_B_MMZB501_1","MONOOXYGENASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",3,"ASN A 426;TYR A 166;SER A 429","None","0.92A","2gvcB-4ainA:undetectable","2gvcB-4ainA:21.75"],["2GVC_E_MMZE501_1","MONOOXYGENASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",3,"ASN A 426;TYR A 166;SER A 429","None","0.94A","2gvcE-4ainA:undetectable","2gvcE-4ainA:21.75"],["2KOT_B_ANWB99_0","PROTEIN S100-A13","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"ALA A 251;VAL A 521;THR A 522;PHE A 248","None","1.15A","2kotB-4ainA:undetectable","2kotB-4ainA:10.41"],["2QK8_A_MTXA200_2","DIHYDROFOLATE REDUCTASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"MET A 182;LEU A 341;ASN A 343;THR A 410","None","1.35A","2qk8A-4ainA:undetectable","2qk8A-4ainA:13.65"],["2XDC_D_DVAD6_0","GRAMICIDIN A","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"TRP A 490;TRP A 495;ALA A 493;VAL A 491","None","1.39A","2xdcC-4ainA:undetectable;2xdcD-4ainA:undetectable","2xdcC-4ainA:4.28;2xdcD-4ainA:4.28"],["2XDC_F_DVAF6_0","GRAMICIDIN A","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"TRP A 490;TRP A 495;ALA A 493;VAL A 491","None","1.39A","2xdcE-4ainA:undetectable;2xdcF-4ainA:undetectable","2xdcE-4ainA:4.28;2xdcF-4ainA:4.28"],["2Y5M_D_DVAD6_0","VAL-GRAMICIDIN A","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"TRP A 490;TRP A 495;ALA A 493;VAL A 491","None","1.38A","2y5mC-4ainA:undetectable;2y5mD-4ainA:undetectable","2y5mC-4ainA:4.28;2y5mD-4ainA:4.28"],["2Y5M_F_DVAF6_0","VAL-GRAMICIDIN A","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"TRP A 490;TRP A 495;ALA A 493;VAL A 491","None","1.37A","2y5mE-4ainA:undetectable;2y5mF-4ainA:undetectable","2y5mE-4ainA:4.28;2y5mF-4ainA:4.28"],["2Y6N_D_DVAD6_0","VAL-GRAMICIDIN A","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"TRP A 490;TRP A 495;ALA A 493;VAL A 491","None","1.38A","2y6nC-4ainA:undetectable;2y6nD-4ainA:undetectable","2y6nC-4ainA:4.28;2y6nD-4ainA:4.28"],["2Y6N_F_DVAF6_0","VAL-GRAMICIDIN A","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"TRP A 490;TRP A 495;ALA A 493;VAL A 491","None","1.38A","2y6nE-4ainA:undetectable;2y6nF-4ainA:undetectable","2y6nE-4ainA:4.28;2y6nF-4ainA:4.28"],["3AG1_O_CHDO229_0","CYTOCHROME C OXIDASE SUBUNIT 1;CYTOCHROME C OXIDASE SUBUNIT 2;CYTOCHROME C OXIDASE SUBUNIT 6A2","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"PHE A 416;GLY A 418;MET A 186;GLU A 161;THR A 164","None","1.44A","3ag1G-4ainA:undetectable;3ag1N-4ainA:0.1;3ag1O-4ainA:undetectable","3ag1G-4ainA:10.95;3ag1N-4ainA:24.35;3ag1O-4ainA:17.16"],["3FSU_A_C2FA995_0","5,10-METHYLENETETRAHYDROFOLATE REDUCTASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"THR A 185;SER A 429;GLN A 425;LEU A 163;ARG A 167","None","1.40A","3fsuA-4ainA:undetectable","3fsuA-4ainA:20.63"],["3FSU_E_C2FE995_0","5,10-METHYLENETETRAHYDROFOLATE REDUCTASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"THR A 185;SER A 429;GLN A 425;LEU A 163;ARG A 167","None","1.46A","3fsuE-4ainA:undetectable","3fsuE-4ainA:20.63"],["3HS6_B_EPAB1_1","PROSTAGLANDIN G\/H SYNTHASE 2","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"GLY A 255;GLY A 496;ALA A 498;GLY A 503;LEU A 504","None","0.98A","3hs6B-4ainA:undetectable","3hs6B-4ainA:18.83"],["3HS6_B_EPAB1_1","PROSTAGLANDIN G\/H SYNTHASE 2","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"GLY A 454;GLY A 257;ALA A 258;GLY A 264;LEU A 265","None","0.86A","3hs6B-4ainA:undetectable","3hs6B-4ainA:18.83"],["3IK6_B_HCZB800_1","GLUTAMATE RECEPTOR 2;GLUTAMATE RECEPTOR 2","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"SER A 336;ILE A 421;PRO A 162;SER A 414;GLY A 418","None","1.41A","3ik6B-4ainA:undetectable;3ik6E-4ainA:undetectable","3ik6B-4ainA:19.67;3ik6E-4ainA:19.67"],["3LSF_E_PZIE802_0","GLUTAMATE RECEPTOR 2","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",3,"ASP A 239;ASN A  59;SER A 218","None","1.01A","3lsfB-4ainA:undetectable;3lsfE-4ainA:undetectable","3lsfB-4ainA:19.67;3lsfE-4ainA:19.67"],["3LSL_A_PZIA802_0","GLUTAMATE RECEPTOR 2","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",3,"ASP A 239;ASN A  59;SER A 219","None","0.98A","3lslA-4ainA:undetectable;3lslD-4ainA:undetectable","3lslA-4ainA:19.67;3lslD-4ainA:19.67"],["3RUK_B_AERB601_1","STEROID 17-ALPHA-HYDROXYLASE\/17,20 LYASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"ALA A 242;PHE A 529;ILE A 196;ILE A 199;GLY A 382","None","1.07A","3rukB-4ainA:undetectable","3rukB-4ainA:22.31"],["3SMT_A_ACTA500_0","HISTONE-LYSINE N-METHYLTRANSFERASE SETD3","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",3,"PHE A 136;SER A 140;GLN A 303","None","0.94A","3smtA-4ainA:undetectable","3smtA-4ainA:22.63"],["3SUF_A_SUEA1201_1","NS3 PROTEASE, NS4A PROTEIN","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"GLY A 149;ARG A 390;LEU A 202;ALA A 386;ALA A 205","None","0.92A","3sufA-4ainA:undetectable","3sufA-4ainA:17.51"],["4IK6_B_LURB201_1","TRANSTHYRETIN","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"LEU A 403;THR A 410;ALA A 406;LEU A 402","None","0.96A","4ik6B-4ainA:undetectable","4ik6B-4ainA:13.42"],["4M93_B_ACTB303_0","S25-26 FAB (IGG1K) HEAVY CHAIN;S25-26 FAB (IGG1K) LIGHT CHAIN","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"GLY A 264;SER A 266;ALA A 267;GLU A 438","None","1.03A","4m93B-4ainA:undetectable;4m93C-4ainA:undetectable","4m93B-4ainA:17.10;4m93C-4ainA:16.82"],["4NKX_A_STRA601_1","STEROID 17-ALPHA-HYDROXYLASE\/17,20 LYASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"ALA A 242;PHE A 529;ILE A 196;ILE A 199;GLY A 382","None","1.04A","4nkxA-4ainA:undetectable","4nkxA-4ainA:22.78"],["4NPT_A_017A401_1","PROTEASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"ALA A 525;ILE A 240;MET A 476;THR A 499;ILE A 502","None","1.05A","4nptA-4ainA:undetectable","4nptA-4ainA:11.65"],["4PST_A_FOLA201_1","DIHYDROFOLATE REDUCTASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",3,"ILE A 204;ASP A 239;ARG A 387","None","0.69A","4pstA-4ainA:undetectable","4pstA-4ainA:14.15"],["4WNW_A_RTZA602_1","CYTOCHROME P450 2D6","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"LEU A 399;GLY A 201;LEU A 385;SER A 389;VAL A 404","None","1.15A","4wnwA-4ainA:0.4","4wnwA-4ainA:21.88"],["4ZE1_A_X2NA602_2","LANOSTEROL 14-ALPHA DEMETHYLASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"VAL A 524;ILE A 388;PRO A 379;THR A 474","None","1.14A","4ze1A-4ainA:undetectable","4ze1A-4ainA:22.28"],["5CP4_A_CAMA422_0","CYTOCHROME P450CAM","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"PHE A  84;THR A  73;LEU A 518;GLY A 503;VAL A  74","None","1.38A","5cp4A-4ainA:undetectable","5cp4A-4ainA:20.30"],["5FSA_B_X2NB590_1","CYP51 VARIANT1","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"PHE A 380;TYR A 197;GLY A 249;THR A 522;PHE A 110","None","1.22A","5fsaB-4ainA:undetectable","5fsaB-4ainA:20.93"],["5HIE_C_P06C801_2","SERINE\/THREONINE-PROTEIN KINASE B-RAF","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"ILE A 238;VAL A 109;ILE A 199;PHE A 106","None","0.98A","5hieC-4ainA:undetectable","5hieC-4ainA:21.23"],["5JLC_A_1YNA602_1","LANOSTEROL 14-ALPHA DEMETHYLASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"PHE A 380;TYR A 197;GLY A 249;THR A 522;PHE A 110","None","1.26A","5jlcA-4ainA:2.0","5jlcA-4ainA:21.25"],["5TUD_A_ERMA2001_1","5-HYDROXYTRYPTAMINE RECEPTOR 2B,SOLUBLE CYTOCHROME B562 CHIMERA","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"VAL A 497;ALA A 525;LEU A  67;LEU A  71;VAL A  74","None","1.17A","5tudA-4ainA:2.0","5tudA-4ainA:23.72"],["5V5Z_A_1YNA602_1","LANOSTEROL 14-ALPHA DEMETHYLASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",5,"PHE A 380;TYR A 197;GLY A 249;THR A 522;PHE A 110","None","1.16A","5v5zA-4ainA:undetectable","5v5zA-4ainA:21.83"],["6BRD_B_RFPB502_1","RIFAMPIN MONOOXYGENASE","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",6,"GLY A 201;VAL A 200;PHE A 529;THR A 246;GLY A 249;MET A 479","None","1.35A","6brdB-4ainA:undetectable","6brdB-4ainA:10.10"],["6FGD_A_ACTA812_0","GEPHYRIN","4ain","GLYCINE BETAINE TRANSPORTER BETP","Corynebacterium glutamicum",4,"GLU A 132;ARG A 390;PHE A 209;VAL A 211","None","1.28A","6fgdA-4ainA:undetectable","6fgdA-4ainA:20.73"]]