SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3t4w'

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.	1I9G_A_SAMA301_0 (HYPOTHETICAL PROTEIN RV2118C)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	ILE A 290 GLY A 38 GLY A 96 SER A 95 VAL A 369	None	0.84A	1i9gA-3t4wA: undetectable	1i9gA-3t4wA: 22.85
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.	2AQU_B_DR7B300_1 (HIV-1 PROTEASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 10	GLY A 92 ALA A 93 ILE A 99 VAL A 8 ILE A 54	None	0.89A	2aquA-3t4wA: undetectable	2aquA-3t4wA: 15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2AQU_B_DR7B300_2 (HIV-1 PROTEASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 11	GLY A 92 ALA A 93 ILE A 99 VAL A 8 ILE A 54	None	0.90A	2aquB-3t4wA: undetectable	2aquB-3t4wA: 15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2BXG_A_IBPA2002_1 (SERUM ALBUMIN)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 8	ALA A 257 ALA A 308 GLU A 335 LEU A 262	None	0.71A	2bxgA-3t4wA: undetectable	2bxgA-3t4wA: 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.	2C6N_B_LPRB705_1 (ANGIOTENSIN-CONVERTI NG ENZYME, SOMATIC ISOFORM)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	HIS A 310 GLU A 335 GLU A 260 HIS A 210 TYR A 172	None	1.30A	2c6nB-3t4wA: undetectable	2c6nB-3t4wA: 21.85
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.	2HA4_A_ACHA546_0 (ACETYLCHOLINESTERASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 8	TYR A 41 TYR A 128 HIS A 210 GLY A 208	None	1.12A	2ha4A-3t4wA: undetectable	2ha4A-3t4wA: 21.72
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.	2HA4_B_ACHB603_0 (ACETYLCHOLINESTERASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 7	TYR A 41 TYR A 128 HIS A 210 GLY A 208	None	1.11A	2ha4B-3t4wA: undetectable	2ha4B-3t4wA: 21.72
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.	2HA4_B_ACHB603_0 (ACETYLCHOLINESTERASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 7	TYR A 172 TYR A 132 GLU A 335 HIS A 310	None	1.26A	2ha4B-3t4wA: undetectable	2ha4B-3t4wA: 21.72
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.	2HS2_A_017A201_1 (PROTEASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	GLY A 92 ALA A 93 ILE A 99 VAL A 8 ILE A 54	None	0.94A	2hs2A-3t4wA: undetectable	2hs2A-3t4wA: 13.00
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.	2HTQ_A_ZMRA472_2 (NEURAMINIDASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 4	ASP A 370 TRP A 37 ILE A 9 ARG A 375	None	1.32A	2htqA-3t4wA: undetectable	2htqA-3t4wA: 20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VDV_E_SAME1287_0 (TRNA (GUANINE-N(7)-)-METH YLTRANSFERASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	GLY A 160 GLY A 355 CYH A 156 THR A 129 GLU A 338	None	1.10A	2vdvE-3t4wA: undetectable	2vdvE-3t4wA: 19.25
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.	2XFH_A_CL6A1413_1 (ERYTHROMYCIN B/D C-12 HYDROXYLASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 6	ALA A 372 ALA A 374 THR A 11 PHE A 341	None	0.90A	2xfhA-3t4wA: undetectable	2xfhA-3t4wA: 22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2YVL_A_SAMA601_0 (HYPOTHETICAL PROTEIN)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	ILE A 290 GLY A 38 GLY A 96 SER A 95 VAL A 316	None	0.83A	2yvlA-3t4wA: undetectable	2yvlA-3t4wA: 20.50
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.	3EKY_A_DR7A100_1 (PROTEASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 10	GLY A 92 ALA A 93 ILE A 99 VAL A 8 ILE A 54	None	0.87A	3ekyA-3t4wA: undetectable	3ekyA-3t4wA: 15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3EL1_A_DR7A100_2 (PROTEASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	GLY A 92 ALA A 93 ILE A 99 VAL A 8 ILE A 54	None	0.90A	3el1B-3t4wA: undetectable	3el1B-3t4wA: 16.06
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.	3JZ0_B_CLYB900_1 (LINCOSAMIDE NUCLEOTIDYLTRANSFERA SE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 8	GLU A 234 TYR A 172 GLU A 260 ILE A 225	None	0.79A	3jz0B-3t4wA: undetectable	3jz0B-3t4wA: 23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3K9F_F_LFXF0_1 (DNA TOPOISOMERASE 4 SUBUNIT A DNA TOPOISOMERASE 4 SUBUNIT B)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 5	SER A 274 ARG A 261 GLY A 259 GLU A 260	None	1.28A	3k9fA-3t4wA: undetectable 3k9fB-3t4wA: undetectable 3k9fC-3t4wA: undetectable	3k9fA-3t4wA: 22.68 3k9fB-3t4wA: 22.68 3k9fC-3t4wA: 21.85
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.	3KO0_B_TFPB202_1 (PROTEIN S100-A4)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	3 / 3	GLU A 151 LEU A 154 ASP A 155	None	0.41A	3ko0A-3t4wA: undetectable	3ko0A-3t4wA: 10.60
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.	3KO0_S_TFPS202_2 (PROTEIN S100-A4)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	3 / 3	GLU A 151 LEU A 154 ASP A 155	None	0.31A	3ko0T-3t4wA: undetectable	3ko0T-3t4wA: 10.60
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.	3OHT_A_1N1A2000_1 (P38A)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	ILE A 307 ASN A 321 ILE A 350 ILE A 331 ALA A 293	None	1.22A	3ohtA-3t4wA: undetectable 3ohtB-3t4wA: undetectable	3ohtA-3t4wA: 22.90 3ohtB-3t4wA: 22.90
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.	3TWP_D_SALD404_1 (ANTHRANILATE PHOSPHORIBOSYLTRANSF ERASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 5	ASN A 223 ALA A 226 PRO A 253 TYR A 233	None	1.29A	3twpD-3t4wA: undetectable	3twpD-3t4wA: 24.10
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.	4ACA_B_DXCB1473_0 (TRANSLATION ELONGATION FACTOR SELB)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 9	ASP A 103 ILE A 104 GLY A 36 THR A 30 GLY A 33	None	1.27A	4acaB-3t4wA: undetectable 4acaC-3t4wA: undetectable	4acaB-3t4wA: 21.21 4acaC-3t4wA: 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.	4FU9_A_ACTA311_0 (UROKINASE-TYPE PLASMINOGEN ACTIVATOR)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	3 / 3	GLN A 4 THR A 30 THR A 29	None	0.66A	4fu9A-3t4wA: undetectable	4fu9A-3t4wA: 18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4FUF_A_ACTA310_0 (UROKINASE-TYPE PLASMINOGEN ACTIVATOR)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	3 / 3	GLN A 4 THR A 30 THR A 29	None	0.62A	4fufA-3t4wA: undetectable	4fufA-3t4wA: 18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4KYA_H_FOLH703_0 (BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	VAL A 157 ALA A 163 SER A 152 PHE A 191 VAL A 199	None	1.50A	4kyaH-3t4wA: undetectable	4kyaH-3t4wA: 21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4WNW_B_RTZB602_1 (CYTOCHROME P450 2D6)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	LEU A 367 GLY A 285 LEU A 284 ALA A 100 ASP A 103	None	0.84A	4wnwB-3t4wA: undetectable	4wnwB-3t4wA: 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.	4Z3O_F_MFXF101_1 (DNA TOPOISOMERASE 4 SUBUNIT B,PARE30-PARC55 FUSED TOPO IV FROM S. PNEUMONIAE E-SITE DNA)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 5	ARG A 261 GLY A 259 GLU A 260 SER A 274	None	1.13A	4z3oA-3t4wA: undetectable 4z3oB-3t4wA: undetectable	4z3oA-3t4wA: 20.51 4z3oB-3t4wA: 20.51
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.	5EEU_A_TRPA101_0 (TRANSCRIPTION ATTENUATION PROTEIN MTRB)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 9	HIS A 178 ALA A 218 THR A 209 HIS A 210 ILE A 237	None	1.49A	5eeuA-3t4wA: undetectable 5eeuB-3t4wA: undetectable	5eeuA-3t4wA: 10.42 5eeuB-3t4wA: 10.42
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.	5EEU_K_TRPK101_0 (TRANSCRIPTION ATTENUATION PROTEIN MTRB)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 9	HIS A 178 ALA A 218 THR A 209 HIS A 210 ILE A 237	None	1.48A	5eeuA-3t4wA: undetectable 5eeuK-3t4wA: undetectable	5eeuA-3t4wA: 10.42 5eeuK-3t4wA: 10.42
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.	5EEV_K_TRPK101_0 (TRANSCRIPTION ATTENUATION PROTEIN MTRB)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 9	HIS A 178 ALA A 218 THR A 209 HIS A 210 ILE A 237	None	1.48A	5eevA-3t4wA: undetectable 5eevK-3t4wA: undetectable	5eevA-3t4wA: 10.42 5eevK-3t4wA: 10.42
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.	5EEW_K_TRPK101_0 (TRANSCRIPTION ATTENUATION PROTEIN MTRB)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 9	HIS A 178 ALA A 218 THR A 209 HIS A 210 ILE A 237	None	1.48A	5eewA-3t4wA: undetectable 5eewK-3t4wA: undetectable	5eewA-3t4wA: 10.42 5eewK-3t4wA: 10.42
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.	5EEY_K_TRPK101_0 (TRANSCRIPTION ATTENUATION PROTEIN MTRB)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 9	HIS A 178 ALA A 218 THR A 209 HIS A 210 ILE A 237	None	1.48A	5eeyA-3t4wA: undetectable 5eeyK-3t4wA: undetectable	5eeyA-3t4wA: 10.42 5eeyK-3t4wA: 10.42
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.	5EEZ_K_TRPK101_0 (TRANSCRIPTION ATTENUATION PROTEIN MTRB)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 9	HIS A 178 ALA A 218 THR A 209 HIS A 210 ILE A 237	None	1.48A	5eezA-3t4wA: undetectable 5eezK-3t4wA: undetectable	5eezA-3t4wA: 10.42 5eezK-3t4wA: 10.42
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.	5EF1_K_TRPK101_0 (TRANSCRIPTION ATTENUATION PROTEIN MTRB)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 9	HIS A 178 ALA A 218 THR A 209 HIS A 210 ILE A 237	None	1.48A	5ef1A-3t4wA: undetectable 5ef1K-3t4wA: undetectable	5ef1A-3t4wA: 10.42 5ef1K-3t4wA: 10.42
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.	5EF2_K_TRPK101_0 (TRANSCRIPTION ATTENUATION PROTEIN MTRB)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 9	HIS A 178 ALA A 218 THR A 209 HIS A 210 ILE A 237	None	1.48A	5ef2A-3t4wA: undetectable 5ef2K-3t4wA: undetectable	5ef2A-3t4wA: 10.42 5ef2K-3t4wA: 10.42
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.	5L6E_B_ACTB401_0 (N6-ADENOSINE-METHYLT RANSFERASE 70 KDA SUBUNIT N6-ADENOSINE-METHYLT RANSFERASE SUBUNIT METTL14)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 6	GLU A 260 ARG A 261 LEU A 262 ARG A 286	None	1.16A	5l6eA-3t4wA: undetectable 5l6eB-3t4wA: undetectable	5l6eA-3t4wA: 18.39 5l6eB-3t4wA: 18.98
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.	5O96_G_SAMG501_0 (RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 11	GLY A 285 GLU A 98 GLY A 96 LEU A 88 GLU A 292	None	0.94A	5o96G-3t4wA: undetectable	5o96G-3t4wA: 21.14
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.	5YW0_A_ACTA410_0 (UNCHARACTERIZED PROTEIN KDOO)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 4	GLY A 38 LEU A 25 VAL A 316 GLU A 39	None	1.34A	5yw0A-3t4wA: undetectable	5yw0A-3t4wA: 21.30
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.	6A4I_B_TRPB403_0 (TRYPTOPHAN 2,3-DIOXYGENASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 7	ARG A 159 THR A 339 PRO A 340 PRO A 16	None	1.16A	6a4iB-3t4wA: undetectable	6a4iB-3t4wA: 21.34
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.	6DGX_A_017A101_0 (PROTEASE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	GLY A 92 ALA A 93 ILE A 99 VAL A 8 ILE A 54	None	0.89A	6dgxA-3t4wA: undetectable	6dgxA-3t4wA: 14.29
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.	6FHW_A_ACRA801_2 (GLUCOAMYLASE P)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	3 / 3	TRP A 232 GLU A 235 GLU A 335	None	1.02A	6fhwA-3t4wA: undetectable	6fhwA-3t4wA: 11.91
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.	6GQI_A_ACTA604_0 (CYCLOHEXANONE MONOOXYGENASE FROM THERMOCRISPUM MUNICIPALE)	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 6	PRO A 13 TRP A 23 ILE A 337 GLY A 17	None	0.89A	6gqiA-3t4wA: undetectable	6gqiA-3t4wA: 21.79

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1I9G_A_SAMA301_0","HYPOTHETICAL PROTEIN RV2118C","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"ILE A 290;GLY A  38;GLY A  96;SER A  95;VAL A 369","None","0.84A","1i9gA-3t4wA:undetectable","1i9gA-3t4wA:22.85"],["2AQU_B_DR7B300_1","HIV-1 PROTEASE;HIV-1 PROTEASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A  92;ALA A  93;ILE A  99;VAL A   8;ILE A  54","None","0.89A","2aquA-3t4wA:undetectable","2aquA-3t4wA:15.77"],["2AQU_B_DR7B300_2","HIV-1 PROTEASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A  92;ALA A  93;ILE A  99;VAL A   8;ILE A  54","None","0.90A","2aquB-3t4wA:undetectable","2aquB-3t4wA:15.77"],["2BXG_A_IBPA2002_1","SERUM ALBUMIN","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"ALA A 257;ALA A 308;GLU A 335;LEU A 262","None","0.71A","2bxgA-3t4wA:undetectable","2bxgA-3t4wA:21.75"],["2C6N_B_LPRB705_1","ANGIOTENSIN-CONVERTING ENZYME, SOMATIC ISOFORM","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"HIS A 310;GLU A 335;GLU A 260;HIS A 210;TYR A 172","None","1.30A","2c6nB-3t4wA:undetectable","2c6nB-3t4wA:21.85"],["2HA4_A_ACHA546_0","ACETYLCHOLINESTERASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"TYR A  41;TYR A 128;HIS A 210;GLY A 208","None","1.12A","2ha4A-3t4wA:undetectable","2ha4A-3t4wA:21.72"],["2HA4_B_ACHB603_0","ACETYLCHOLINESTERASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"TYR A  41;TYR A 128;HIS A 210;GLY A 208","None","1.11A","2ha4B-3t4wA:undetectable","2ha4B-3t4wA:21.72"],["2HA4_B_ACHB603_0","ACETYLCHOLINESTERASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"TYR A 172;TYR A 132;GLU A 335;HIS A 310","None","1.26A","2ha4B-3t4wA:undetectable","2ha4B-3t4wA:21.72"],["2HS2_A_017A201_1","PROTEASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A  92;ALA A  93;ILE A  99;VAL A   8;ILE A  54","None","0.94A","2hs2A-3t4wA:undetectable","2hs2A-3t4wA:13.00"],["2HTQ_A_ZMRA472_2","NEURAMINIDASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"ASP A 370;TRP A  37;ILE A   9;ARG A 375","None","1.32A","2htqA-3t4wA:undetectable","2htqA-3t4wA:20.48"],["2VDV_E_SAME1287_0","TRNA (GUANINE-N(7)-)-METHYLTRANSFERASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A 160;GLY A 355;CYH A 156;THR A 129;GLU A 338","None","1.10A","2vdvE-3t4wA:undetectable","2vdvE-3t4wA:19.25"],["2XFH_A_CL6A1413_1","ERYTHROMYCIN B\/D C-12 HYDROXYLASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"ALA A 372;ALA A 374;THR A  11;PHE A 341","None","0.90A","2xfhA-3t4wA:undetectable","2xfhA-3t4wA:22.27"],["2YVL_A_SAMA601_0","HYPOTHETICAL PROTEIN","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"ILE A 290;GLY A  38;GLY A  96;SER A  95;VAL A 316","None","0.83A","2yvlA-3t4wA:undetectable","2yvlA-3t4wA:20.50"],["3EKY_A_DR7A100_1","PROTEASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A  92;ALA A  93;ILE A  99;VAL A   8;ILE A  54","None","0.87A","3ekyA-3t4wA:undetectable","3ekyA-3t4wA:15.77"],["3EL1_A_DR7A100_2","PROTEASE;PROTEASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A  92;ALA A  93;ILE A  99;VAL A   8;ILE A  54","None","0.90A","3el1B-3t4wA:undetectable","3el1B-3t4wA:16.06"],["3JZ0_B_CLYB900_1","LINCOSAMIDE NUCLEOTIDYLTRANSFERASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"GLU A 234;TYR A 172;GLU A 260;ILE A 225","None","0.79A","3jz0B-3t4wA:undetectable","3jz0B-3t4wA:23.35"],["3K9F_F_LFXF0_1","DNA TOPOISOMERASE 4 SUBUNIT A;DNA TOPOISOMERASE 4 SUBUNIT A;DNA TOPOISOMERASE 4 SUBUNIT B","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"SER A 274;ARG A 261;GLY A 259;GLU A 260","None","1.28A","3k9fA-3t4wA:undetectable;3k9fB-3t4wA:undetectable;3k9fC-3t4wA:undetectable","3k9fA-3t4wA:22.68;3k9fB-3t4wA:22.68;3k9fC-3t4wA:21.85"],["3KO0_B_TFPB202_1","PROTEIN S100-A4;PROTEIN S100-A4","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",3,"GLU A 151;LEU A 154;ASP A 155","None","0.41A","3ko0A-3t4wA:undetectable","3ko0A-3t4wA:10.60"],["3KO0_S_TFPS202_2","PROTEIN S100-A4;PROTEIN S100-A4","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",3,"GLU A 151;LEU A 154;ASP A 155","None","0.31A","3ko0T-3t4wA:undetectable","3ko0T-3t4wA:10.60"],["3OHT_A_1N1A2000_1","P38A;P38A","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"ILE A 307;ASN A 321;ILE A 350;ILE A 331;ALA A 293","None","1.22A","3ohtA-3t4wA:undetectable;3ohtB-3t4wA:undetectable","3ohtA-3t4wA:22.90;3ohtB-3t4wA:22.90"],["3TWP_D_SALD404_1","ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"ASN A 223;ALA A 226;PRO A 253;TYR A 233","None","1.29A","3twpD-3t4wA:undetectable","3twpD-3t4wA:24.10"],["4ACA_B_DXCB1473_0","TRANSLATION ELONGATION FACTOR SELB","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"ASP A 103;ILE A 104;GLY A  36;THR A  30;GLY A  33","None","1.27A","4acaB-3t4wA:undetectable;4acaC-3t4wA:undetectable","4acaB-3t4wA:21.21;4acaC-3t4wA:21.21"],["4FU9_A_ACTA311_0","UROKINASE-TYPE PLASMINOGEN ACTIVATOR","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",3,"GLN A   4;THR A  30;THR A  29","None","0.66A","4fu9A-3t4wA:undetectable","4fu9A-3t4wA:18.35"],["4FUF_A_ACTA310_0","UROKINASE-TYPE PLASMINOGEN ACTIVATOR","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",3,"GLN A   4;THR A  30;THR A  29","None","0.62A","4fufA-3t4wA:undetectable","4fufA-3t4wA:18.35"],["4KYA_H_FOLH703_0","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"VAL A 157;ALA A 163;SER A 152;PHE A 191;VAL A 199","None","1.50A","4kyaH-3t4wA:undetectable","4kyaH-3t4wA:21.81"],["4WNW_B_RTZB602_1","CYTOCHROME P450 2D6","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"LEU A 367;GLY A 285;LEU A 284;ALA A 100;ASP A 103","None","0.84A","4wnwB-3t4wA:undetectable","4wnwB-3t4wA:21.75"],["4Z3O_F_MFXF101_1","DNA TOPOISOMERASE 4 SUBUNIT B,PARE30-PARC55 FUSED TOPO IV FROM S. PNEUMONIAE;DNA TOPOISOMERASE 4 SUBUNIT B,PARE30-PARC55 FUSED TOPO IV FROM S. PNEUMONIAE;E-SITE DNA","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"ARG A 261;GLY A 259;GLU A 260;SER A 274","None","1.13A","4z3oA-3t4wA:undetectable;4z3oB-3t4wA:undetectable","4z3oA-3t4wA:20.51;4z3oB-3t4wA:20.51"],["5EEU_A_TRPA101_0","TRANSCRIPTION ATTENUATION PROTEIN MTRB","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"HIS A 178;ALA A 218;THR A 209;HIS A 210;ILE A 237","None","1.49A","5eeuA-3t4wA:undetectable;5eeuB-3t4wA:undetectable","5eeuA-3t4wA:10.42;5eeuB-3t4wA:10.42"],["5EEU_K_TRPK101_0","TRANSCRIPTION ATTENUATION PROTEIN MTRB","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"HIS A 178;ALA A 218;THR A 209;HIS A 210;ILE A 237","None","1.48A","5eeuA-3t4wA:undetectable;5eeuK-3t4wA:undetectable","5eeuA-3t4wA:10.42;5eeuK-3t4wA:10.42"],["5EEV_K_TRPK101_0","TRANSCRIPTION ATTENUATION PROTEIN MTRB","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"HIS A 178;ALA A 218;THR A 209;HIS A 210;ILE A 237","None","1.48A","5eevA-3t4wA:undetectable;5eevK-3t4wA:undetectable","5eevA-3t4wA:10.42;5eevK-3t4wA:10.42"],["5EEW_K_TRPK101_0","TRANSCRIPTION ATTENUATION PROTEIN MTRB","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"HIS A 178;ALA A 218;THR A 209;HIS A 210;ILE A 237","None","1.48A","5eewA-3t4wA:undetectable;5eewK-3t4wA:undetectable","5eewA-3t4wA:10.42;5eewK-3t4wA:10.42"],["5EEY_K_TRPK101_0","TRANSCRIPTION ATTENUATION PROTEIN MTRB","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"HIS A 178;ALA A 218;THR A 209;HIS A 210;ILE A 237","None","1.48A","5eeyA-3t4wA:undetectable;5eeyK-3t4wA:undetectable","5eeyA-3t4wA:10.42;5eeyK-3t4wA:10.42"],["5EEZ_K_TRPK101_0","TRANSCRIPTION ATTENUATION PROTEIN MTRB","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"HIS A 178;ALA A 218;THR A 209;HIS A 210;ILE A 237","None","1.48A","5eezA-3t4wA:undetectable;5eezK-3t4wA:undetectable","5eezA-3t4wA:10.42;5eezK-3t4wA:10.42"],["5EF1_K_TRPK101_0","TRANSCRIPTION ATTENUATION PROTEIN MTRB","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"HIS A 178;ALA A 218;THR A 209;HIS A 210;ILE A 237","None","1.48A","5ef1A-3t4wA:undetectable;5ef1K-3t4wA:undetectable","5ef1A-3t4wA:10.42;5ef1K-3t4wA:10.42"],["5EF2_K_TRPK101_0","TRANSCRIPTION ATTENUATION PROTEIN MTRB","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"HIS A 178;ALA A 218;THR A 209;HIS A 210;ILE A 237","None","1.48A","5ef2A-3t4wA:undetectable;5ef2K-3t4wA:undetectable","5ef2A-3t4wA:10.42;5ef2K-3t4wA:10.42"],["5L6E_B_ACTB401_0","N6-ADENOSINE-METHYLTRANSFERASE 70 KDA SUBUNIT;N6-ADENOSINE-METHYLTRANSFERASE SUBUNIT METTL14","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"GLU A 260;ARG A 261;LEU A 262;ARG A 286","None","1.16A","5l6eA-3t4wA:undetectable;5l6eB-3t4wA:undetectable","5l6eA-3t4wA:18.39;5l6eB-3t4wA:18.98"],["5O96_G_SAMG501_0","RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A 285;GLU A  98;GLY A  96;LEU A  88;GLU A 292","None","0.94A","5o96G-3t4wA:undetectable","5o96G-3t4wA:21.14"],["5YW0_A_ACTA410_0","UNCHARACTERIZED PROTEIN KDOO","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"GLY A  38;LEU A  25;VAL A 316;GLU A  39","None","1.34A","5yw0A-3t4wA:undetectable","5yw0A-3t4wA:21.30"],["6A4I_B_TRPB403_0","TRYPTOPHAN 2,3-DIOXYGENASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"ARG A 159;THR A 339;PRO A 340;PRO A  16","None","1.16A","6a4iB-3t4wA:undetectable","6a4iB-3t4wA:21.34"],["6DGX_A_017A101_0","PROTEASE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A  92;ALA A  93;ILE A  99;VAL A   8;ILE A  54","None","0.89A","6dgxA-3t4wA:undetectable","6dgxA-3t4wA:14.29"],["6FHW_A_ACRA801_2","GLUCOAMYLASE P","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",3,"TRP A 232;GLU A 235;GLU A 335","None","1.02A","6fhwA-3t4wA:undetectable","6fhwA-3t4wA:11.91"],["6GQI_A_ACTA604_0","CYCLOHEXANONE MONOOXYGENASE FROM THERMOCRISPUM MUNICIPALE","3t4w","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","Sulfitobacter sp. NAS-14.1",4,"PRO A  13;TRP A  23;ILE A 337;GLY A  17","None","0.89A","6gqiA-3t4wA:undetectable","6gqiA-3t4wA:21.79"]]