SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3h2z'

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.	1DFO_A_FFOA1002_1 (SERINE HYDROXYMETHYLTRANSFE RASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 5	GLU A 210 TYR A 263 PHE A 214 PRO A 310	None	1.31A	1dfoB-3h2zA: undetectable	1dfoB-3h2zA: 23.57
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.	1DFO_B_FFOB2002_0 (SERINE HYDROXYMETHYLTRANSFE RASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 5	GLU A 210 TYR A 263 PHE A 214 PRO A 310	None	1.30A	1dfoA-3h2zA: undetectable	1dfoA-3h2zA: 23.57
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.	1DFO_C_FFOC3002_2 (SERINE HYDROXYMETHYLTRANSFE RASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 5	GLU A 210 TYR A 263 PHE A 214 PRO A 310	None	1.30A	1dfoD-3h2zA: undetectable	1dfoD-3h2zA: 23.57
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.	1DFO_D_FFOD4002_0 (SERINE HYDROXYMETHYLTRANSFE RASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 5	GLU A 210 TYR A 263 PHE A 214 PRO A 310	None	1.31A	1dfoC-3h2zA: undetectable	1dfoC-3h2zA: 23.57
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)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	ILE A 274 GLY A 279 ARG A 236 ASP A 288 VAL A 293	None	1.14A	1i9gA-3h2zA: 5.8	1i9gA-3h2zA: 23.18
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.	1KYV_B_RBFB502_1 (6,7-DIMETHYL-8-RIBIT YLLUMAZINE SYNTHASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 11	ILE A 77 LEU A 76 HIS A 5 SER A 67 LEU A 37	None	1.33A	1kyvA-3h2zA: 2.6 1kyvB-3h2zA: 3.0	1kyvA-3h2zA: 17.40 1kyvB-3h2zA: 17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1M2W_A_MTLA5600_0 (MANNITOL DEHYDROGENASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	7 / 9	ASP A 158 LYS A 212 LEU A 216 ASN A 217 HIS A 220 VAL A 293 LYS A 300	None None None None None None PO4 A 393 (-3.4A)	0.74A	1m2wA-3h2zA: 29.8	1m2wA-3h2zA: 25.15
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.	1M2W_A_MTLA5600_0 (MANNITOL DEHYDROGENASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	7 / 9	ASP A 158 LYS A 212 LEU A 216 HIS A 220 ARG A 292 VAL A 293 LYS A 300	None None None None None None PO4 A 393 (-3.4A)	0.95A	1m2wA-3h2zA: 29.8	1m2wA-3h2zA: 25.15
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.	1M2W_B_MTLB6600_0 (MANNITOL DEHYDROGENASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	7 / 9	ASP A 158 LYS A 212 LEU A 216 ASN A 217 HIS A 220 VAL A 293 LYS A 300	None None None None None None PO4 A 393 (-3.4A)	0.75A	1m2wB-3h2zA: 29.8	1m2wB-3h2zA: 25.15
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.	1M2W_B_MTLB6600_0 (MANNITOL DEHYDROGENASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	7 / 9	ASP A 158 LYS A 212 LEU A 216 HIS A 220 ARG A 292 VAL A 293 LYS A 300	None None None None None None PO4 A 393 (-3.4A)	0.96A	1m2wB-3h2zA: 29.8	1m2wB-3h2zA: 25.15
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.	1S9P_A_DESA459_1 (ESTROGEN-RELATED RECEPTOR GAMMA)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	LEU A 4 ALA A 119 GLU A 121 LEU A 92 ILE A 77	None	1.13A	1s9pA-3h2zA: undetectable	1s9pA-3h2zA: 21.78
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.	1SBR_B_VIBB504_1 (YKOF)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 6	HIS A 321 LEU A 307 ILE A 328 SER A 362	None	1.09A	1sbrA-3h2zA: undetectable 1sbrB-3h2zA: undetectable	1sbrA-3h2zA: 20.77 1sbrB-3h2zA: 20.77
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.	1UKB_A_BEZA1300_0 (2-HYDROXY-6-OXO-7-ME THYLOCTA-2,4-DIENOAT E HYDROLASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 11	ALA A 30 PHE A 29 ALA A 65 LEU A 40 VAL A 32	PO4 A 396 (-4.9A) None None None PO4 A 396 (-3.4A)	1.10A	1ukbA-3h2zA: undetectable	1ukbA-3h2zA: 24.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1Y0X_X_T44X500_1 (THYROID HORMONE RECEPTOR BETA-1)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	ILE A 118 MET A 199 ARG A 159 LEU A 205 PHE A 189	None None NA A 391 (-3.1A) None None	1.25A	1y0xX-3h2zA: undetectable	1y0xX-3h2zA: 22.39
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.	2A58_B_RBFB301_1 (6,7-DIMETHYL-8-RIBIT YLLUMAZINE SYNTHASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	ILE A 77 LEU A 76 HIS A 5 SER A 67 LEU A 37	None	1.30A	2a58A-3h2zA: 2.9 2a58B-3h2zA: 2.8	2a58A-3h2zA: 17.66 2a58B-3h2zA: 17.66
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.	2A58_C_RBFC302_1 (6,7-DIMETHYL-8-RIBIT YLLUMAZINE SYNTHASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	ILE A 77 LEU A 76 HIS A 5 SER A 67 LEU A 37	None	1.29A	2a58B-3h2zA: 2.8 2a58C-3h2zA: 3.0	2a58B-3h2zA: 17.66 2a58C-3h2zA: 17.66
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.	2A58_E_RBFE304_1 (6,7-DIMETHYL-8-RIBIT YLLUMAZINE SYNTHASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	ILE A 77 LEU A 76 HIS A 5 SER A 67 LEU A 37	None	1.30A	2a58D-3h2zA: 2.9 2a58E-3h2zA: 2.5	2a58D-3h2zA: 17.66 2a58E-3h2zA: 17.66
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.	2LBD_A_REAA500_1 (RETINOIC ACID RECEPTOR GAMMA)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	PHE A 6 LEU A 76 ILE A 77 ARG A 106 GLY A 70	None	1.21A	2lbdA-3h2zA: undetectable	2lbdA-3h2zA: 23.10
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.	2VMY_A_FFOA505_0 (SERINE HYDROXYMETHYLTRANSFE RASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 6	GLU A 210 TYR A 263 PHE A 214 PRO A 310	None	1.25A	2vmyA-3h2zA: undetectable	2vmyA-3h2zA: 23.19
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_B_SVRB501_2 (PHOSPHOLIPASE A2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 11	VAL A 258 LEU A 259 GLY A 256 ILE A 274 THR A 218	None	1.19A	3bjwB-3h2zA: undetectable	3bjwB-3h2zA: 15.95
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_E_SVRE503_1 (PHOSPHOLIPASE A2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 11	VAL A 258 LEU A 259 GLY A 256 ILE A 274 THR A 218	None	1.14A	3bjwE-3h2zA: undetectable	3bjwE-3h2zA: 15.95
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_F_SVRF502_3 (PHOSPHOLIPASE A2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	VAL A 258 LEU A 259 GLY A 256 ILE A 274 THR A 218	None	1.24A	3bjwF-3h2zA: undetectable	3bjwF-3h2zA: 15.95
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_H_SVRH504_3 (PHOSPHOLIPASE A2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 11	VAL A 258 LEU A 259 GLY A 256 ILE A 274 THR A 218	None	1.21A	3bjwH-3h2zA: undetectable	3bjwH-3h2zA: 15.95
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.	3EEY_I_SAMI300_0 (PUTATIVE RRNA METHYLASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	THR A 128 GLY A 126 ILE A 117 GLY A 151 LEU A 92	None	1.09A	3eeyI-3h2zA: 5.5	3eeyI-3h2zA: 21.56
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.	3EEY_J_SAMJ300_0 (PUTATIVE RRNA METHYLASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	THR A 128 GLY A 126 ILE A 117 GLY A 151 LEU A 92	None	1.07A	3eeyJ-3h2zA: 5.7	3eeyJ-3h2zA: 21.56
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.	3JW3_B_TOPB208_1 (DIHYDROFOLATE REDUCTASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 9	ALA A 251 GLU A 254 ILE A 308 LEU A 364 ILE A 328	None	1.07A	3jw3B-3h2zA: undetectable	3jw3B-3h2zA: 17.83
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.	3OHT_B_1N1B1000_2 (P38A)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	3 / 3	GLU A 282 LEU A 240 LEU A 226	None	0.73A	3ohtB-3h2zA: undetectable	3ohtB-3h2zA: 21.53
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.	3S56_A_ROCA201_2 (PROTEASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 9	ARG A 106 LEU A 103 ILE A 118 ILE A 77 ILE A 99	None	0.92A	3s56B-3h2zA: undetectable	3s56B-3h2zA: 12.43
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.	3WIP_G_ACTG305_0 (ACETYLCHOLINE-BINDIN G PROTEIN)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	3 / 3	ASP A 22 ARG A 159 LYS A 18	None NA A 391 (-3.1A) NA A 391 (-3.1A)	1.25A	3wipG-3h2zA: undetectable	3wipG-3h2zA: 21.77
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.	4EJJ_B_NCTB501_1 (CYTOCHROME P450 2A6)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 7	VAL A 174 PHE A 29 ASN A 10 GLY A 12	None None ACT A 383 (-4.8A) None	0.96A	4ejjB-3h2zA: undetectable	4ejjB-3h2zA: 23.17
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.	4FO4_A_MOAA502_1 (INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 8	ASP A 22 CYH A 120 THR A 84 GLY A 12	None	0.91A	4fo4A-3h2zA: undetectable	4fo4A-3h2zA: 23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4KIC_B_SAMB401_0 (METHYLTRANSFERASE MPPJ)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	ILE A 118 CYH A 120 GLY A 17 ILE A 25 ALA A 3	None	0.96A	4kicB-3h2zA: 4.6	4kicB-3h2zA: 22.57
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.	4KR4_C_AICC401_1 (OUTER MEMBRANE PROTEIN F)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 8	ARG A 211 TYR A 273 ARG A 280 GLU A 200	None	1.24A	4kr4C-3h2zA: undetectable	4kr4C-3h2zA: 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.	4MDA_A_RLTA403_1 (MARINER MOS1 TRANSPOSASE)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 6	ASN A 217 ALA A 221 TYR A 225 ASP A 288	None	1.14A	4mdaA-3h2zA: undetectable	4mdaA-3h2zA: 18.39
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.	4P6V_E_RBFE201_1 (NA(+)-TRANSLOCATING NADH-QUINONE REDUCTASE SUBUNIT B NA(+)-TRANSLOCATING NADH-QUINONE REDUCTASE SUBUNIT E)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 5	HIS A 49 VAL A 174 GLU A 173 VAL A 57	None	1.36A	4p6vB-3h2zA: 1.6 4p6vE-3h2zA: undetectable	4p6vB-3h2zA: 23.01 4p6vE-3h2zA: 21.45
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.	4RRW_A_LURA705_1 (PROSTAGLANDIN G/H SYNTHASE 2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	LEU A 226 VAL A 248 GLY A 250 ALA A 251 LEU A 324	None	1.09A	4rrwA-3h2zA: undetectable	4rrwA-3h2zA: 20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4RRW_B_LURB705_1 (PROSTAGLANDIN G/H SYNTHASE 2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	LEU A 226 VAL A 248 GLY A 250 ALA A 251 LEU A 324	None	1.08A	4rrwB-3h2zA: 1.3	4rrwB-3h2zA: 20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4RRW_C_LURC705_1 (PROSTAGLANDIN G/H SYNTHASE 2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	LEU A 226 VAL A 248 GLY A 250 ALA A 251 LEU A 324	None	1.09A	4rrwC-3h2zA: undetectable	4rrwC-3h2zA: 20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4RRZ_A_LURA705_1 (PROSTAGLANDIN G/H SYNTHASE 2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	LEU A 226 VAL A 248 GLY A 250 ALA A 251 LEU A 324	None	1.09A	4rrzA-3h2zA: undetectable	4rrzA-3h2zA: 20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4RRZ_B_LURB705_1 (PROSTAGLANDIN G/H SYNTHASE 2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	LEU A 226 VAL A 248 GLY A 250 ALA A 251 LEU A 324	None	1.08A	4rrzB-3h2zA: 1.3	4rrzB-3h2zA: 20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4RRZ_C_LURC705_1 (PROSTAGLANDIN G/H SYNTHASE 2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	LEU A 226 VAL A 248 GLY A 250 ALA A 251 LEU A 324	None	1.09A	4rrzC-3h2zA: undetectable	4rrzC-3h2zA: 20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5DZK_1_BEZ1801_0 (ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 BEZ-LEU-LEU)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	3 / 3	LEU A 76 PHE A 6 ILE A 77	None	0.73A	5dzk1-3h2zA: undetectable 5dzkF-3h2zA: undetectable 5dzkM-3h2zA: undetectable	5dzk1-3h2zA: 10.00 5dzkF-3h2zA: 21.00 5dzkM-3h2zA: 20.41
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.	5DZK_4_BEZ4801_0 (ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 BEZ-LEU-LEU)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 5	LEU A 138 PHE A 152 ILE A 99 ILE A 117	None	1.06A	5dzk4-3h2zA: undetectable 5dzkg-3h2zA: undetectable 5dzkm-3h2zA: undetectable 5dzkn-3h2zA: undetectable	5dzk4-3h2zA: 10.00 5dzkg-3h2zA: 21.00 5dzkm-3h2zA: 20.41 5dzkn-3h2zA: 20.41
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.	5KIR_B_RCXB601_1 (PROSTAGLANDIN G/H SYNTHASE 2)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	ALA A 238 VAL A 248 GLY A 250 ALA A 251 LEU A 324	None	1.08A	5kirB-3h2zA: undetectable	5kirB-3h2zA: 21.62
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.	5X7Z_A_BHAA201_0 (UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	4 / 6	LEU A 40 VAL A 63 LEU A 27 VAL A 60	None	0.95A	5x7zA-3h2zA: undetectable	5x7zA-3h2zA: 19.78
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.	6ECT_A_SAMA1300_0 (STIE PROTEIN)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	GLY A 227 GLY A 231 GLU A 291 VAL A 290 ILE A 235	None	0.92A	6ectA-3h2zA: 3.7	6ectA-3h2zA: 22.89
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)	3h2z	MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE (Shigella flexneri)	5 / 12	GLY A 227 GLY A 231 GLU A 291 VAL A 290 ILE A 235	None	0.90A	6ecxA-3h2zA: 3.5	6ecxA-3h2zA: 23.06

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1DFO_A_FFOA1002_1","SERINE HYDROXYMETHYLTRANSFERASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"GLU A 210;TYR A 263;PHE A 214;PRO A 310","None","1.31A","1dfoB-3h2zA:undetectable","1dfoB-3h2zA:23.57"],["1DFO_B_FFOB2002_0","SERINE HYDROXYMETHYLTRANSFERASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"GLU A 210;TYR A 263;PHE A 214;PRO A 310","None","1.30A","1dfoA-3h2zA:undetectable","1dfoA-3h2zA:23.57"],["1DFO_C_FFOC3002_2","SERINE HYDROXYMETHYLTRANSFERASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"GLU A 210;TYR A 263;PHE A 214;PRO A 310","None","1.30A","1dfoD-3h2zA:undetectable","1dfoD-3h2zA:23.57"],["1DFO_D_FFOD4002_0","SERINE HYDROXYMETHYLTRANSFERASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"GLU A 210;TYR A 263;PHE A 214;PRO A 310","None","1.31A","1dfoC-3h2zA:undetectable","1dfoC-3h2zA:23.57"],["1I9G_A_SAMA301_0","HYPOTHETICAL PROTEIN RV2118C","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ILE A 274;GLY A 279;ARG A 236;ASP A 288;VAL A 293","None","1.14A","1i9gA-3h2zA:5.8","1i9gA-3h2zA:23.18"],["1KYV_B_RBFB502_1","6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE;6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ILE A  77;LEU A  76;HIS A   5;SER A  67;LEU A  37","None","1.33A","1kyvA-3h2zA:2.6;1kyvB-3h2zA:3.0","1kyvA-3h2zA:17.40;1kyvB-3h2zA:17.40"],["1M2W_A_MTLA5600_0","MANNITOL DEHYDROGENASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",7,"ASP A 158;LYS A 212;LEU A 216;ASN A 217;HIS A 220;VAL A 293;LYS A 300","None;None;None;None;None;None;PO4 A 393 (-3.4A)","0.74A","1m2wA-3h2zA:29.8","1m2wA-3h2zA:25.15"],["1M2W_A_MTLA5600_0","MANNITOL DEHYDROGENASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",7,"ASP A 158;LYS A 212;LEU A 216;HIS A 220;ARG A 292;VAL A 293;LYS A 300","None;None;None;None;None;None;PO4 A 393 (-3.4A)","0.95A","1m2wA-3h2zA:29.8","1m2wA-3h2zA:25.15"],["1M2W_B_MTLB6600_0","MANNITOL DEHYDROGENASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",7,"ASP A 158;LYS A 212;LEU A 216;ASN A 217;HIS A 220;VAL A 293;LYS A 300","None;None;None;None;None;None;PO4 A 393 (-3.4A)","0.75A","1m2wB-3h2zA:29.8","1m2wB-3h2zA:25.15"],["1M2W_B_MTLB6600_0","MANNITOL DEHYDROGENASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",7,"ASP A 158;LYS A 212;LEU A 216;HIS A 220;ARG A 292;VAL A 293;LYS A 300","None;None;None;None;None;None;PO4 A 393 (-3.4A)","0.96A","1m2wB-3h2zA:29.8","1m2wB-3h2zA:25.15"],["1S9P_A_DESA459_1","ESTROGEN-RELATED RECEPTOR GAMMA","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"LEU A   4;ALA A 119;GLU A 121;LEU A  92;ILE A  77","None","1.13A","1s9pA-3h2zA:undetectable","1s9pA-3h2zA:21.78"],["1SBR_B_VIBB504_1","YKOF;YKOF","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"HIS A 321;LEU A 307;ILE A 328;SER A 362","None","1.09A","1sbrA-3h2zA:undetectable;1sbrB-3h2zA:undetectable","1sbrA-3h2zA:20.77;1sbrB-3h2zA:20.77"],["1UKB_A_BEZA1300_0","2-HYDROXY-6-OXO-7-METHYLOCTA-2,4-DIENOATE HYDROLASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ALA A  30;PHE A  29;ALA A  65;LEU A  40;VAL A  32","PO4 A 396 (-4.9A);None;None;None;PO4 A 396 (-3.4A)","1.10A","1ukbA-3h2zA:undetectable","1ukbA-3h2zA:24.87"],["1Y0X_X_T44X500_1","THYROID HORMONE RECEPTOR BETA-1","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ILE A 118;MET A 199;ARG A 159;LEU A 205;PHE A 189","None;None; NA A 391 (-3.1A);None;None","1.25A","1y0xX-3h2zA:undetectable","1y0xX-3h2zA:22.39"],["2A58_B_RBFB301_1","6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE;6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ILE A  77;LEU A  76;HIS A   5;SER A  67;LEU A  37","None","1.30A","2a58A-3h2zA:2.9;2a58B-3h2zA:2.8","2a58A-3h2zA:17.66;2a58B-3h2zA:17.66"],["2A58_C_RBFC302_1","6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE;6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ILE A  77;LEU A  76;HIS A   5;SER A  67;LEU A  37","None","1.29A","2a58B-3h2zA:2.8;2a58C-3h2zA:3.0","2a58B-3h2zA:17.66;2a58C-3h2zA:17.66"],["2A58_E_RBFE304_1","6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE;6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ILE A  77;LEU A  76;HIS A   5;SER A  67;LEU A  37","None","1.30A","2a58D-3h2zA:2.9;2a58E-3h2zA:2.5","2a58D-3h2zA:17.66;2a58E-3h2zA:17.66"],["2LBD_A_REAA500_1","RETINOIC ACID RECEPTOR GAMMA","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"PHE A   6;LEU A  76;ILE A  77;ARG A 106;GLY A  70","None","1.21A","2lbdA-3h2zA:undetectable","2lbdA-3h2zA:23.10"],["2VMY_A_FFOA505_0","SERINE HYDROXYMETHYLTRANSFERASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"GLU A 210;TYR A 263;PHE A 214;PRO A 310","None","1.25A","2vmyA-3h2zA:undetectable","2vmyA-3h2zA:23.19"],["3BJW_B_SVRB501_2","PHOSPHOLIPASE A2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"VAL A 258;LEU A 259;GLY A 256;ILE A 274;THR A 218","None","1.19A","3bjwB-3h2zA:undetectable","3bjwB-3h2zA:15.95"],["3BJW_E_SVRE503_1","PHOSPHOLIPASE A2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"VAL A 258;LEU A 259;GLY A 256;ILE A 274;THR A 218","None","1.14A","3bjwE-3h2zA:undetectable","3bjwE-3h2zA:15.95"],["3BJW_F_SVRF502_3","PHOSPHOLIPASE A2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"VAL A 258;LEU A 259;GLY A 256;ILE A 274;THR A 218","None","1.24A","3bjwF-3h2zA:undetectable","3bjwF-3h2zA:15.95"],["3BJW_H_SVRH504_3","PHOSPHOLIPASE A2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"VAL A 258;LEU A 259;GLY A 256;ILE A 274;THR A 218","None","1.21A","3bjwH-3h2zA:undetectable","3bjwH-3h2zA:15.95"],["3EEY_I_SAMI300_0","PUTATIVE RRNA METHYLASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"THR A 128;GLY A 126;ILE A 117;GLY A 151;LEU A  92","None","1.09A","3eeyI-3h2zA:5.5","3eeyI-3h2zA:21.56"],["3EEY_J_SAMJ300_0","PUTATIVE RRNA METHYLASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"THR A 128;GLY A 126;ILE A 117;GLY A 151;LEU A  92","None","1.07A","3eeyJ-3h2zA:5.7","3eeyJ-3h2zA:21.56"],["3JW3_B_TOPB208_1","DIHYDROFOLATE REDUCTASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ALA A 251;GLU A 254;ILE A 308;LEU A 364;ILE A 328","None","1.07A","3jw3B-3h2zA:undetectable","3jw3B-3h2zA:17.83"],["3OHT_B_1N1B1000_2","P38A","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",3,"GLU A 282;LEU A 240;LEU A 226","None","0.73A","3ohtB-3h2zA:undetectable","3ohtB-3h2zA:21.53"],["3S56_A_ROCA201_2","PROTEASE;PROTEASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ARG A 106;LEU A 103;ILE A 118;ILE A  77;ILE A  99","None","0.92A","3s56B-3h2zA:undetectable","3s56B-3h2zA:12.43"],["3WIP_G_ACTG305_0","ACETYLCHOLINE-BINDING PROTEIN","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",3,"ASP A  22;ARG A 159;LYS A  18","None; NA A 391 (-3.1A); NA A 391 (-3.1A)","1.25A","3wipG-3h2zA:undetectable","3wipG-3h2zA:21.77"],["4EJJ_B_NCTB501_1","CYTOCHROME P450 2A6","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"VAL A 174;PHE A  29;ASN A  10;GLY A  12","None;None;ACT A 383 (-4.8A);None","0.96A","4ejjB-3h2zA:undetectable","4ejjB-3h2zA:23.17"],["4FO4_A_MOAA502_1","INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"ASP A  22;CYH A 120;THR A  84;GLY A  12","None","0.91A","4fo4A-3h2zA:undetectable","4fo4A-3h2zA:23.92"],["4KIC_B_SAMB401_0","METHYLTRANSFERASE MPPJ","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ILE A 118;CYH A 120;GLY A  17;ILE A  25;ALA A   3","None","0.96A","4kicB-3h2zA:4.6","4kicB-3h2zA:22.57"],["4KR4_C_AICC401_1","OUTER MEMBRANE PROTEIN F","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"ARG A 211;TYR A 273;ARG A 280;GLU A 200","None","1.24A","4kr4C-3h2zA:undetectable","4kr4C-3h2zA:21.72"],["4MDA_A_RLTA403_1","MARINER MOS1 TRANSPOSASE","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"ASN A 217;ALA A 221;TYR A 225;ASP A 288","None","1.14A","4mdaA-3h2zA:undetectable","4mdaA-3h2zA:18.39"],["4P6V_E_RBFE201_1","NA(+)-TRANSLOCATING NADH-QUINONE REDUCTASE SUBUNIT B;NA(+)-TRANSLOCATING NADH-QUINONE REDUCTASE SUBUNIT E","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"HIS A  49;VAL A 174;GLU A 173;VAL A  57","None","1.36A","4p6vB-3h2zA:1.6;4p6vE-3h2zA:undetectable","4p6vB-3h2zA:23.01;4p6vE-3h2zA:21.45"],["4RRW_A_LURA705_1","PROSTAGLANDIN G\/H SYNTHASE 2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"LEU A 226;VAL A 248;GLY A 250;ALA A 251;LEU A 324","None","1.09A","4rrwA-3h2zA:undetectable","4rrwA-3h2zA:20.03"],["4RRW_B_LURB705_1","PROSTAGLANDIN G\/H SYNTHASE 2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"LEU A 226;VAL A 248;GLY A 250;ALA A 251;LEU A 324","None","1.08A","4rrwB-3h2zA:1.3","4rrwB-3h2zA:20.03"],["4RRW_C_LURC705_1","PROSTAGLANDIN G\/H SYNTHASE 2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"LEU A 226;VAL A 248;GLY A 250;ALA A 251;LEU A 324","None","1.09A","4rrwC-3h2zA:undetectable","4rrwC-3h2zA:20.03"],["4RRZ_A_LURA705_1","PROSTAGLANDIN G\/H SYNTHASE 2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"LEU A 226;VAL A 248;GLY A 250;ALA A 251;LEU A 324","None","1.09A","4rrzA-3h2zA:undetectable","4rrzA-3h2zA:20.03"],["4RRZ_B_LURB705_1","PROSTAGLANDIN G\/H SYNTHASE 2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"LEU A 226;VAL A 248;GLY A 250;ALA A 251;LEU A 324","None","1.08A","4rrzB-3h2zA:1.3","4rrzB-3h2zA:20.03"],["4RRZ_C_LURC705_1","PROSTAGLANDIN G\/H SYNTHASE 2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"LEU A 226;VAL A 248;GLY A 250;ALA A 251;LEU A 324","None","1.09A","4rrzC-3h2zA:undetectable","4rrzC-3h2zA:20.03"],["5DZK_1_BEZ1801_0","ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1;ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2;BEZ-LEU-LEU","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",3,"LEU A  76;PHE A   6;ILE A  77","None","0.73A","5dzk1-3h2zA:undetectable;5dzkF-3h2zA:undetectable;5dzkM-3h2zA:undetectable","5dzk1-3h2zA:10.00;5dzkF-3h2zA:21.00;5dzkM-3h2zA:20.41"],["5DZK_4_BEZ4801_0","ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1;ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2;BEZ-LEU-LEU","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"LEU A 138;PHE A 152;ILE A  99;ILE A 117","None","1.06A","5dzk4-3h2zA:undetectable;5dzkg-3h2zA:undetectable;5dzkm-3h2zA:undetectable;5dzkn-3h2zA:undetectable","5dzk4-3h2zA:10.00;5dzkg-3h2zA:21.00;5dzkm-3h2zA:20.41;5dzkn-3h2zA:20.41"],["5KIR_B_RCXB601_1","PROSTAGLANDIN G\/H SYNTHASE 2","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"ALA A 238;VAL A 248;GLY A 250;ALA A 251;LEU A 324","None","1.08A","5kirB-3h2zA:undetectable","5kirB-3h2zA:21.62"],["5X7Z_A_BHAA201_0","UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",4,"LEU A  40;VAL A  63;LEU A  27;VAL A  60","None","0.95A","5x7zA-3h2zA:undetectable","5x7zA-3h2zA:19.78"],["6ECT_A_SAMA1300_0","STIE PROTEIN","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"GLY A 227;GLY A 231;GLU A 291;VAL A 290;ILE A 235","None","0.92A","6ectA-3h2zA:3.7","6ectA-3h2zA:22.89"],["6ECX_A_SAMA1301_0","STIE PROTEIN","3h2z","MANNITOL-1-PHOSPHATE 5-DEHYDROGENASE","Shigella flexneri",5,"GLY A 227;GLY A 231;GLU A 291;VAL A 290;ILE A 235","None","0.90A","6ecxA-3h2zA:3.5","6ecxA-3h2zA:23.06"]]