SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2d4e'

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.	1EKJ_G_ACTG3009_0 (BETA-CARBONIC ANHYDRASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 5	GLY A 167 LEU A 245 THR A 246 VAL A 242	None	1.08A	1ekjF-2d4eA: 1.9 1ekjG-2d4eA: undetectable	1ekjF-2d4eA: 18.06 1ekjG-2d4eA: 18.06
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.	1HTT_D_HISD450_0 (HISTIDYL-TRNA SYNTHETASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	ARG A 19 LEU A 338 GLY A 115 GLY A 345 ALA A 50	None	1.26A	1httD-2d4eA: 3.2	1httD-2d4eA: 23.15
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.	1LBC_A_CYZA330_1 (GLUTAMINE RECEPTOR 2)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	LYS A 429 LEU A 312 LEU A 456 ILE A 418 SER A 276	None	1.41A	1lbcA-2d4eA: undetectable 1lbcC-2d4eA: undetectable	1lbcA-2d4eA: 18.50 1lbcC-2d4eA: 18.50
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.	1T7I_A_017A200_2 (POL POLYPROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	ALA A 69 ASP A 67 GLY A 167 ILE A 168	None	0.70A	1t7iB-2d4eA: undetectable	1t7iB-2d4eA: 11.51
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.	1T7J_A_478A200_2 (POL POLYPROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	ALA A 69 ASP A 67 GLY A 167 ILE A 168	None	0.72A	1t7jB-2d4eA: undetectable	1t7jB-2d4eA: 11.51
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.	1T7J_A_478A200_2 (POL POLYPROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	ALA A 491 ASP A 493 GLY A 476 THR A 246	None	0.84A	1t7jB-2d4eA: undetectable	1t7jB-2d4eA: 11.51
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.	1WG8_A_SAMA3142_0 (PREDICTED S-ADENOSYLMETHIONINE -DEPENDENT METHYLTRANSFERASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	PRO A 270 GLY A 476 GLY A 477 GLY A 482 ARG A 182	None	1.23A	1wg8A-2d4eA: 4.1	1wg8A-2d4eA: 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.	1YAJ_F_BEZF5023_0 (CES1 PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 6	LEU A 272 GLY A 254 LEU A 268 ILE A 169	None None None GOL A1801 (-4.1A)	0.72A	1yajF-2d4eA: undetectable	1yajF-2d4eA: 21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ZZR_A_H4BA760_1 (NITRIC-OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.23A	1zzrA-2d4eA: undetectable 1zzrB-2d4eA: undetectable	1zzrA-2d4eA: 23.41 1zzrB-2d4eA: 23.41
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.	1ZZR_B_H4BB761_1 (NITRIC-OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.19A	1zzrA-2d4eA: undetectable 1zzrB-2d4eA: undetectable	1zzrA-2d4eA: 23.41 1zzrB-2d4eA: 23.41
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.	1ZZU_A_H4BA760_1 (NITRIC-OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.22A	1zzuA-2d4eA: 0.8 1zzuB-2d4eA: 0.9	1zzuA-2d4eA: 23.41 1zzuB-2d4eA: 23.41
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.	1ZZU_B_H4BB761_1 (NITRIC-OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.23A	1zzuA-2d4eA: undetectable 1zzuB-2d4eA: 0.9	1zzuA-2d4eA: 23.41 1zzuB-2d4eA: 23.41
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.	209D_C_DVAC2_0 (N8-ACTINOMYCIN D)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	THR A 204 PRO A 202 THR A 206	None	0.75A	209dC-2d4eA: undetectable	209dC-2d4eA: 4.81
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.	2AVD_B_SAMB601_0 (CATECHOL-O-METHYLTRA NSFERASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	MET A 143 PHE A 189 VAL A 166 ALA A 163 ARG A 160	None	1.32A	2avdB-2d4eA: 3.6	2avdB-2d4eA: 19.38
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.	2DTT_C_H4BC1002_1 (HYPOTHETICAL PROTEIN PH0634)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 6	ASP A 445 PHE A 281 GLU A 423 GLU A 314	None	1.42A	2dttB-2d4eA: undetectable 2dttC-2d4eA: undetectable	2dttB-2d4eA: 11.05 2dttC-2d4eA: 11.05
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.	2EJG_B_ADNB1502_1 (235AA LONG HYPOTHETICAL BIOTIN--[ACETYL-COA- CARBOXYLASE] LIGASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	GLU A 486 ASN A 131 PRO A 185 ALA A 184	None	1.42A	2ejgB-2d4eA: undetectable	2ejgB-2d4eA: 19.62
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.	2W9G_A_TOPA1159_1 (DIHYDROFOLATE REDUCTASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 10	LEU A 92 LEU A 217 VAL A 221 ILE A 183 THR A 83	None	1.12A	2w9gA-2d4eA: undetectable	2w9gA-2d4eA: 15.47
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.	2XKK_E_MFXE1100_1 (TOPOISOMERASE IV DNA)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	ARG A 310 GLU A 315 SER A 308	None	0.81A	2xkkA-2d4eA: 2.1 2xkkC-2d4eA: 2.1	2xkkA-2d4eA: 21.85 2xkkC-2d4eA: 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.	2ZW9_B_SAMB801_0 (LEUCINE CARBOXYL METHYLTRANSFERASE 2)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	THR A 248 GLY A 476 GLY A 482 ASP A 483 ASN A 467	None	0.96A	2zw9B-2d4eA: 3.1	2zw9B-2d4eA: 22.07
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.	2ZW9_B_SAMB801_0 (LEUCINE CARBOXYL METHYLTRANSFERASE 2)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	THR A 248 GLY A 477 GLY A 482 ASP A 483 ASN A 467	None	1.01A	2zw9B-2d4eA: 3.1	2zw9B-2d4eA: 22.07
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.	3DQR_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.18A	3dqrA-2d4eA: undetectable 3dqrB-2d4eA: undetectable	3dqrA-2d4eA: 23.19 3dqrB-2d4eA: 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.	3DQR_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.24A	3dqrA-2d4eA: undetectable 3dqrB-2d4eA: undetectable	3dqrA-2d4eA: 23.19 3dqrB-2d4eA: 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.	3DZG_B_NCAB302_0 (ADP-RIBOSYL CYCLASE 1)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	LEU A 176 GLU A 110 SER A 179 THR A 170	None	1.31A	3dzgB-2d4eA: undetectable	3dzgB-2d4eA: 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.	3FL9_E_TOPE200_1 (DIHYDROFOLATE REDUCTASE (DHFR))	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 10	LEU A 92 LEU A 217 VAL A 221 ILE A 183 THR A 83	None	1.11A	3fl9E-2d4eA: undetectable	3fl9E-2d4eA: 14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3FRB_X_TOPX300_1 (DIHYDROFOLATE REDUCTASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 11	LEU A 92 LEU A 217 VAL A 221 ILE A 183 THR A 83	None	1.08A	3frbX-2d4eA: 2.0	3frbX-2d4eA: 16.63
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.	3FRE_X_TOPX300_1 (DIHYDROFOLATE REDUCTASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 9	LEU A 92 LEU A 217 VAL A 221 ILE A 183 THR A 83	None	1.06A	3freX-2d4eA: undetectable	3freX-2d4eA: 16.63
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.	3JX2_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.22A	3jx2A-2d4eA: undetectable 3jx2B-2d4eA: undetectable	3jx2A-2d4eA: 23.19 3jx2B-2d4eA: 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.	3JX2_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.22A	3jx2A-2d4eA: undetectable 3jx2B-2d4eA: undetectable	3jx2A-2d4eA: 23.19 3jx2B-2d4eA: 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.	3JX3_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.24A	3jx3A-2d4eA: undetectable 3jx3B-2d4eA: undetectable	3jx3A-2d4eA: 23.19 3jx3B-2d4eA: 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.	3JX3_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.25A	3jx3A-2d4eA: undetectable 3jx3B-2d4eA: undetectable	3jx3A-2d4eA: 23.19 3jx3B-2d4eA: 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.	3JX4_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.19A	3jx4A-2d4eA: undetectable 3jx4B-2d4eA: undetectable	3jx4A-2d4eA: 23.19 3jx4B-2d4eA: 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.	3JX5_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.20A	3jx5A-2d4eA: undetectable 3jx5B-2d4eA: undetectable	3jx5A-2d4eA: 23.19 3jx5B-2d4eA: 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.	3JX5_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.22A	3jx5A-2d4eA: undetectable 3jx5B-2d4eA: undetectable	3jx5A-2d4eA: 23.19 3jx5B-2d4eA: 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.	3JX6_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.18A	3jx6A-2d4eA: undetectable 3jx6B-2d4eA: undetectable	3jx6A-2d4eA: 23.19 3jx6B-2d4eA: 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.	3L4D_D_TPFD490_1 (STEROL 14-ALPHA DEMETHYLASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 8	PHE A 44 ALA A 198 THR A 170 LEU A 195	None	1.07A	3l4dD-2d4eA: undetectable	3l4dD-2d4eA: 20.95
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.	3N61_A_H4BA760_1 (NITRIC OXIDE SYNTHASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 6	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.24A	3n61A-2d4eA: undetectable 3n61B-2d4eA: undetectable	3n61A-2d4eA: 23.19 3n61B-2d4eA: 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.	3N61_B_H4BB760_1 (NITRIC OXIDE SYNTHASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.24A	3n61A-2d4eA: undetectable 3n61B-2d4eA: undetectable	3n61A-2d4eA: 23.19 3n61B-2d4eA: 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.	3NLJ_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.16A	3nljA-2d4eA: undetectable 3nljB-2d4eA: undetectable	3nljA-2d4eA: 23.19 3nljB-2d4eA: 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.	3NLJ_B_H4BB761_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.21A	3nljA-2d4eA: undetectable 3nljB-2d4eA: undetectable	3nljA-2d4eA: 23.19 3nljB-2d4eA: 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.	3NLP_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.20A	3nlpA-2d4eA: undetectable 3nlpB-2d4eA: undetectable	3nlpA-2d4eA: 23.19 3nlpB-2d4eA: 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.	3NLP_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.23A	3nlpA-2d4eA: undetectable 3nlpB-2d4eA: undetectable	3nlpA-2d4eA: 23.19 3nlpB-2d4eA: 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.	3NLQ_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 8	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.19A	3nlqA-2d4eA: undetectable 3nlqB-2d4eA: undetectable	3nlqA-2d4eA: 23.19 3nlqB-2d4eA: 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.	3NLQ_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.21A	3nlqA-2d4eA: undetectable 3nlqB-2d4eA: undetectable	3nlqA-2d4eA: 23.19 3nlqB-2d4eA: 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.	3NLR_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.21A	3nlrA-2d4eA: undetectable 3nlrB-2d4eA: undetectable	3nlrA-2d4eA: 23.19 3nlrB-2d4eA: 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.	3NU9_A_478A401_1 (PROTEASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 8	ALA A 69 ASP A 67 GLY A 167 ILE A 168	None	0.65A	3nu9A-2d4eA: undetectable	3nu9A-2d4eA: 11.51
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.	3OLS_B_ESTB600_1 (ESTROGEN RECEPTOR BETA)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	LEU A 212 ALA A 215 GLU A 214 LEU A 98 ILE A 183	None	0.97A	3olsB-2d4eA: undetectable	3olsB-2d4eA: 18.66
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.	3SUE_B_SUEB1201_2 (NS3 PROTEASE, NS4A PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	PHE A 134 TYR A 490 LEU A 187	None	0.77A	3sueB-2d4eA: undetectable	3sueB-2d4eA: 17.50
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.	3UA5_A_06XA501_1 (CYTOCHROME P450 2B6)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 8	ILE A 183 ILE A 95 GLU A 210 LEU A 106	None	0.81A	3ua5A-2d4eA: undetectable	3ua5A-2d4eA: 23.68
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.	4A84_A_DXCA1161_0 (MAJOR POLLEN ALLERGEN BET V 1-A)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	PHE A 475 PRO A 185 LEU A 187 VAL A 193 SER A 179	None	1.33A	4a84A-2d4eA: undetectable	4a84A-2d4eA: 16.16
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.	4CX3_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.24A	4cx3A-2d4eA: undetectable 4cx3B-2d4eA: undetectable	4cx3A-2d4eA: 23.19 4cx3B-2d4eA: 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.	4CX3_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.25A	4cx3A-2d4eA: undetectable 4cx3B-2d4eA: undetectable	4cx3A-2d4eA: 23.19 4cx3B-2d4eA: 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.	4CX4_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.24A	4cx4A-2d4eA: undetectable 4cx4B-2d4eA: undetectable	4cx4A-2d4eA: 23.19 4cx4B-2d4eA: 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.	4CX4_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.27A	4cx4A-2d4eA: undetectable 4cx4B-2d4eA: undetectable	4cx4A-2d4eA: 23.19 4cx4B-2d4eA: 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.	4EYR_B_RITB301_2 (HIV-1 PROTEASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 8	GLY A 487 ALA A 491 ASP A 493 PRO A 270 THR A 246	None	1.28A	4eyrB-2d4eA: undetectable	4eyrB-2d4eA: 10.93
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.	4GRK_A_KTRA713_1 (LACTOTRANSFERRIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 5	THR A 246 GLY A 167 VAL A 242 TYR A 495	None	1.08A	4grkA-2d4eA: 1.3	4grkA-2d4eA: 20.85
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.	4K8C_A_ADNA401_2 (SUGAR KINASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	SER A 481 TYR A 435 PRO A 270	None	0.90A	4k8cA-2d4eA: 3.3	4k8cA-2d4eA: 22.69
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.	4KAH_A_ADNA401_2 (PROBABLE SUGAR KINASE PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	SER A 481 TYR A 435 PRO A 270	None	0.93A	4kahA-2d4eA: 3.5	4kahA-2d4eA: 22.69
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.	4KAH_B_ADNB502_2 (PROBABLE SUGAR KINASE PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	SER A 481 TYR A 435 PRO A 270	None	0.92A	4kahB-2d4eA: 3.3	4kahB-2d4eA: 22.69
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.	4KAN_A_ADNA401_2 (PROBABLE SUGAR KINASE PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	SER A 481 TYR A 435 PRO A 270	None	0.91A	4kanA-2d4eA: 3.3	4kanA-2d4eA: 22.69
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.	4KAN_B_ADNB401_2 (PROBABLE SUGAR KINASE PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	SER A 481 TYR A 435 PRO A 270	None	0.90A	4kanB-2d4eA: 3.3	4kanB-2d4eA: 22.69
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.	4KBE_A_ADNA401_2 (PROBABLE SUGAR KINASE PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	SER A 481 TYR A 435 PRO A 270	None	0.93A	4kbeA-2d4eA: 3.6	4kbeA-2d4eA: 22.69
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.	4KBE_B_ADNB401_2 (PROBABLE SUGAR KINASE PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	SER A 481 TYR A 435 PRO A 270	None	0.94A	4kbeB-2d4eA: 3.5	4kbeB-2d4eA: 22.69
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.	4LBG_A_ADNA401_2 (PROBABLE SUGAR KINASE PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	SER A 481 TYR A 435 PRO A 270	None	0.90A	4lbgA-2d4eA: 3.3	4lbgA-2d4eA: 22.69
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.	4LBG_B_ADNB401_2 (PROBABLE SUGAR KINASE PROTEIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	SER A 481 TYR A 435 PRO A 270	None	0.91A	4lbgB-2d4eA: 3.3	4lbgB-2d4eA: 22.69
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_B_STRB601_1 (STEROID 17-ALPHA-HYDROXYLASE /17,20 LYASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	ALA A 329 PHE A 298 ILE A 410 GLY A 374 ALA A 417	None	0.95A	4nkxB-2d4eA: undetectable	4nkxB-2d4eA: 21.40
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.	4V1F_B_BQ1B1087_0 (F0F1 ATP SYNTHASE SUBUNIT C)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 8	ALA A 331 ALA A 329 ILE A 332 ALA A 292 PHE A 295	None	0.91A	4v1fA-2d4eA: undetectable 4v1fB-2d4eA: undetectable	4v1fA-2d4eA: 10.12 4v1fB-2d4eA: 10.12
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.	4ZME_B_ADNB902_1 (MYOSIN HEAVY CHAIN KINASE A)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 10	VAL A 121 LEU A 176 GLU A 110 LEU A 106 THR A 204	None	1.20A	4zmeB-2d4eA: undetectable	4zmeB-2d4eA: 20.08
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.	5ADD_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.20A	5addA-2d4eA: undetectable 5addB-2d4eA: undetectable	5addA-2d4eA: 23.19 5addB-2d4eA: 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.	5ADE_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.15A	5adeA-2d4eA: undetectable 5adeB-2d4eA: undetectable	5adeA-2d4eA: 23.19 5adeB-2d4eA: 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.	5E3I_A_HISA502_0 (HISTIDINE--TRNA LIGASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	ARG A 19 LEU A 338 GLY A 115 GLY A 345 ALA A 50	None	1.17A	5e3iA-2d4eA: 2.7	5e3iA-2d4eA: 23.15
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.	5EB5_A_010A609_0 (HNL ISOENZYME 5)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 11	ALA A 235 ALA A 232 VAL A 225 LEU A 245 VAL A 194	None	1.27A	5eb5A-2d4eA: undetectable	5eb5A-2d4eA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5EB5_B_010B607_0 (HNL ISOENZYME 5)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 10	ALA A 235 ALA A 232 VAL A 225 LEU A 245 VAL A 194	None	1.27A	5eb5B-2d4eA: undetectable	5eb5B-2d4eA: 22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5G0P_A_H4BA760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	VAL A 326 VAL A 294 PHE A 321 GLU A 327	None	1.20A	5g0pA-2d4eA: undetectable 5g0pB-2d4eA: undetectable	5g0pA-2d4eA: 23.19 5g0pB-2d4eA: 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.	5G0P_B_H4BB760_1 (NITRIC OXIDE SYNTHASE, BRAIN)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	PHE A 321 GLU A 327 VAL A 326 VAL A 294	None	1.23A	5g0pA-2d4eA: undetectable 5g0pB-2d4eA: undetectable	5g0pA-2d4eA: 23.19 5g0pB-2d4eA: 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.	5H5F_A_SAMA301_0 (PROTEIN ARGININE N-METHYLTRANSFERASE SFM1)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	LEU A 195 PHE A 222 ILE A 31 ARG A 68 ALA A 209	None	1.12A	5h5fA-2d4eA: 3.4	5h5fA-2d4eA: 18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5HWA_A_GCSA303_1 (CHITOSANASE)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 5	HIS A 239 VAL A 225 GLY A 233 ALA A 232	None None GOL A1801 (-3.4A) None	1.04A	5hwaA-2d4eA: undetectable	5hwaA-2d4eA: 18.45
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.	5TUD_A_ERMA2001_1 (5-HYDROXYTRYPTAMINE RECEPTOR 2B,SOLUBLE CYTOCHROME B562 CHIMERA)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	5 / 12	SER A 465 ALA A 289 LEU A 427 LEU A 456 VAL A 461	None	1.05A	5tudA-2d4eA: undetectable	5tudA-2d4eA: 24.43
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.	5Z12_B_9CRB501_2 (RETINOIC ACID RECEPTOR RXR-ALPHA)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	3 / 3	GLN A 116 ILE A 211 HIS A 102	None	0.67A	5z12B-2d4eA: undetectable	5z12B-2d4eA: 13.87
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.	5Z84_W_CHDW101_0 (CYTOCHROME C OXIDASE SUBUNIT 1 CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 5	ILE A 95 PHE A 132 ARG A 88 THR A 192	None	1.29A	5z84N-2d4eA: undetectable 5z84W-2d4eA: undetectable	5z84N-2d4eA: 21.68 5z84W-2d4eA: 7.77
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.	6B89_B_NOVB403_1 (LIPOPOLYSACCHARIDE EXPORT SYSTEM ATP-BINDING PROTEIN LPTB)	2d4e	5-CARBOXYMETHYL-2-HY DROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE (Thermus thermophilus)	4 / 7	ARG A 19 LEU A 22 ALA A 27 GLN A 226	None	1.10A	6b89A-2d4eA: 0.6	6b89A-2d4eA: 11.06

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1EKJ_G_ACTG3009_0","BETA-CARBONIC ANHYDRASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"GLY A 167;LEU A 245;THR A 246;VAL A 242","None","1.08A","1ekjF-2d4eA:1.9;1ekjG-2d4eA:undetectable","1ekjF-2d4eA:18.06;1ekjG-2d4eA:18.06"],["1HTT_D_HISD450_0","HISTIDYL-TRNA SYNTHETASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"ARG A  19;LEU A 338;GLY A 115;GLY A 345;ALA A  50","None","1.26A","1httD-2d4eA:3.2","1httD-2d4eA:23.15"],["1LBC_A_CYZA330_1","GLUTAMINE RECEPTOR 2;GLUTAMINE RECEPTOR 2","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"LYS A 429;LEU A 312;LEU A 456;ILE A 418;SER A 276","None","1.41A","1lbcA-2d4eA:undetectable;1lbcC-2d4eA:undetectable","1lbcA-2d4eA:18.50;1lbcC-2d4eA:18.50"],["1T7I_A_017A200_2","POL POLYPROTEIN;POL POLYPROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"ALA A  69;ASP A  67;GLY A 167;ILE A 168","None","0.70A","1t7iB-2d4eA:undetectable","1t7iB-2d4eA:11.51"],["1T7J_A_478A200_2","POL POLYPROTEIN;POL POLYPROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"ALA A  69;ASP A  67;GLY A 167;ILE A 168","None","0.72A","1t7jB-2d4eA:undetectable","1t7jB-2d4eA:11.51"],["1T7J_A_478A200_2","POL POLYPROTEIN;POL POLYPROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"ALA A 491;ASP A 493;GLY A 476;THR A 246","None","0.84A","1t7jB-2d4eA:undetectable","1t7jB-2d4eA:11.51"],["1WG8_A_SAMA3142_0","PREDICTED S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"PRO A 270;GLY A 476;GLY A 477;GLY A 482;ARG A 182","None","1.23A","1wg8A-2d4eA:4.1","1wg8A-2d4eA:21.14"],["1YAJ_F_BEZF5023_0","CES1 PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"LEU A 272;GLY A 254;LEU A 268;ILE A 169","None;None;None;GOL A1801 (-4.1A)","0.72A","1yajF-2d4eA:undetectable","1yajF-2d4eA:21.37"],["1ZZR_A_H4BA760_1","NITRIC-OXIDE SYNTHASE, BRAIN;NITRIC-OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.23A","1zzrA-2d4eA:undetectable;1zzrB-2d4eA:undetectable","1zzrA-2d4eA:23.41;1zzrB-2d4eA:23.41"],["1ZZR_B_H4BB761_1","NITRIC-OXIDE SYNTHASE, BRAIN;NITRIC-OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.19A","1zzrA-2d4eA:undetectable;1zzrB-2d4eA:undetectable","1zzrA-2d4eA:23.41;1zzrB-2d4eA:23.41"],["1ZZU_A_H4BA760_1","NITRIC-OXIDE SYNTHASE, BRAIN;NITRIC-OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.22A","1zzuA-2d4eA:0.8;1zzuB-2d4eA:0.9","1zzuA-2d4eA:23.41;1zzuB-2d4eA:23.41"],["1ZZU_B_H4BB761_1","NITRIC-OXIDE SYNTHASE, BRAIN;NITRIC-OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.23A","1zzuA-2d4eA:undetectable;1zzuB-2d4eA:0.9","1zzuA-2d4eA:23.41;1zzuB-2d4eA:23.41"],["209D_C_DVAC2_0","N8-ACTINOMYCIN D","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"THR A 204;PRO A 202;THR A 206","None","0.75A","209dC-2d4eA:undetectable","209dC-2d4eA:4.81"],["2AVD_B_SAMB601_0","CATECHOL-O-METHYLTRANSFERASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"MET A 143;PHE A 189;VAL A 166;ALA A 163;ARG A 160","None","1.32A","2avdB-2d4eA:3.6","2avdB-2d4eA:19.38"],["2DTT_C_H4BC1002_1","HYPOTHETICAL PROTEIN PH0634;HYPOTHETICAL PROTEIN PH0634","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"ASP A 445;PHE A 281;GLU A 423;GLU A 314","None","1.42A","2dttB-2d4eA:undetectable;2dttC-2d4eA:undetectable","2dttB-2d4eA:11.05;2dttC-2d4eA:11.05"],["2EJG_B_ADNB1502_1","235AA LONG HYPOTHETICAL BIOTIN--[ACETYL-COA-CARBOXYLASE] LIGASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"GLU A 486;ASN A 131;PRO A 185;ALA A 184","None","1.42A","2ejgB-2d4eA:undetectable","2ejgB-2d4eA:19.62"],["2W9G_A_TOPA1159_1","DIHYDROFOLATE REDUCTASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"LEU A  92;LEU A 217;VAL A 221;ILE A 183;THR A  83","None","1.12A","2w9gA-2d4eA:undetectable","2w9gA-2d4eA:15.47"],["2XKK_E_MFXE1100_1","TOPOISOMERASE IV;TOPOISOMERASE IV;DNA","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"ARG A 310;GLU A 315;SER A 308","None","0.81A","2xkkA-2d4eA:2.1;2xkkC-2d4eA:2.1","2xkkA-2d4eA:21.85;2xkkC-2d4eA:21.85"],["2ZW9_B_SAMB801_0","LEUCINE CARBOXYL METHYLTRANSFERASE 2","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"THR A 248;GLY A 476;GLY A 482;ASP A 483;ASN A 467","None","0.96A","2zw9B-2d4eA:3.1","2zw9B-2d4eA:22.07"],["2ZW9_B_SAMB801_0","LEUCINE CARBOXYL METHYLTRANSFERASE 2","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"THR A 248;GLY A 477;GLY A 482;ASP A 483;ASN A 467","None","1.01A","2zw9B-2d4eA:3.1","2zw9B-2d4eA:22.07"],["3DQR_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.18A","3dqrA-2d4eA:undetectable;3dqrB-2d4eA:undetectable","3dqrA-2d4eA:23.19;3dqrB-2d4eA:23.19"],["3DQR_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.24A","3dqrA-2d4eA:undetectable;3dqrB-2d4eA:undetectable","3dqrA-2d4eA:23.19;3dqrB-2d4eA:23.19"],["3DZG_B_NCAB302_0","ADP-RIBOSYL CYCLASE 1","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"LEU A 176;GLU A 110;SER A 179;THR A 170","None","1.31A","3dzgB-2d4eA:undetectable","3dzgB-2d4eA:21.23"],["3FL9_E_TOPE200_1","DIHYDROFOLATE REDUCTASE (DHFR)","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"LEU A  92;LEU A 217;VAL A 221;ILE A 183;THR A  83","None","1.11A","3fl9E-2d4eA:undetectable","3fl9E-2d4eA:14.26"],["3FRB_X_TOPX300_1","DIHYDROFOLATE REDUCTASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"LEU A  92;LEU A 217;VAL A 221;ILE A 183;THR A  83","None","1.08A","3frbX-2d4eA:2.0","3frbX-2d4eA:16.63"],["3FRE_X_TOPX300_1","DIHYDROFOLATE REDUCTASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"LEU A  92;LEU A 217;VAL A 221;ILE A 183;THR A  83","None","1.06A","3freX-2d4eA:undetectable","3freX-2d4eA:16.63"],["3JX2_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.22A","3jx2A-2d4eA:undetectable;3jx2B-2d4eA:undetectable","3jx2A-2d4eA:23.19;3jx2B-2d4eA:23.19"],["3JX2_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.22A","3jx2A-2d4eA:undetectable;3jx2B-2d4eA:undetectable","3jx2A-2d4eA:23.19;3jx2B-2d4eA:23.19"],["3JX3_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.24A","3jx3A-2d4eA:undetectable;3jx3B-2d4eA:undetectable","3jx3A-2d4eA:23.19;3jx3B-2d4eA:23.19"],["3JX3_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.25A","3jx3A-2d4eA:undetectable;3jx3B-2d4eA:undetectable","3jx3A-2d4eA:23.19;3jx3B-2d4eA:23.19"],["3JX4_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.19A","3jx4A-2d4eA:undetectable;3jx4B-2d4eA:undetectable","3jx4A-2d4eA:23.19;3jx4B-2d4eA:23.19"],["3JX5_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.20A","3jx5A-2d4eA:undetectable;3jx5B-2d4eA:undetectable","3jx5A-2d4eA:23.19;3jx5B-2d4eA:23.19"],["3JX5_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.22A","3jx5A-2d4eA:undetectable;3jx5B-2d4eA:undetectable","3jx5A-2d4eA:23.19;3jx5B-2d4eA:23.19"],["3JX6_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.18A","3jx6A-2d4eA:undetectable;3jx6B-2d4eA:undetectable","3jx6A-2d4eA:23.19;3jx6B-2d4eA:23.19"],["3L4D_D_TPFD490_1","STEROL 14-ALPHA DEMETHYLASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A  44;ALA A 198;THR A 170;LEU A 195","None","1.07A","3l4dD-2d4eA:undetectable","3l4dD-2d4eA:20.95"],["3N61_A_H4BA760_1","NITRIC OXIDE SYNTHASE;NITRIC OXIDE SYNTHASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.24A","3n61A-2d4eA:undetectable;3n61B-2d4eA:undetectable","3n61A-2d4eA:23.19;3n61B-2d4eA:23.19"],["3N61_B_H4BB760_1","NITRIC OXIDE SYNTHASE;NITRIC OXIDE SYNTHASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.24A","3n61A-2d4eA:undetectable;3n61B-2d4eA:undetectable","3n61A-2d4eA:23.19;3n61B-2d4eA:23.19"],["3NLJ_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.16A","3nljA-2d4eA:undetectable;3nljB-2d4eA:undetectable","3nljA-2d4eA:23.19;3nljB-2d4eA:23.19"],["3NLJ_B_H4BB761_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.21A","3nljA-2d4eA:undetectable;3nljB-2d4eA:undetectable","3nljA-2d4eA:23.19;3nljB-2d4eA:23.19"],["3NLP_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.20A","3nlpA-2d4eA:undetectable;3nlpB-2d4eA:undetectable","3nlpA-2d4eA:23.19;3nlpB-2d4eA:23.19"],["3NLP_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.23A","3nlpA-2d4eA:undetectable;3nlpB-2d4eA:undetectable","3nlpA-2d4eA:23.19;3nlpB-2d4eA:23.19"],["3NLQ_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.19A","3nlqA-2d4eA:undetectable;3nlqB-2d4eA:undetectable","3nlqA-2d4eA:23.19;3nlqB-2d4eA:23.19"],["3NLQ_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.21A","3nlqA-2d4eA:undetectable;3nlqB-2d4eA:undetectable","3nlqA-2d4eA:23.19;3nlqB-2d4eA:23.19"],["3NLR_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.21A","3nlrA-2d4eA:undetectable;3nlrB-2d4eA:undetectable","3nlrA-2d4eA:23.19;3nlrB-2d4eA:23.19"],["3NU9_A_478A401_1","PROTEASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"ALA A  69;ASP A  67;GLY A 167;ILE A 168","None","0.65A","3nu9A-2d4eA:undetectable","3nu9A-2d4eA:11.51"],["3OLS_B_ESTB600_1","ESTROGEN RECEPTOR BETA","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"LEU A 212;ALA A 215;GLU A 214;LEU A  98;ILE A 183","None","0.97A","3olsB-2d4eA:undetectable","3olsB-2d4eA:18.66"],["3SUE_B_SUEB1201_2","NS3 PROTEASE, NS4A PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"PHE A 134;TYR A 490;LEU A 187","None","0.77A","3sueB-2d4eA:undetectable","3sueB-2d4eA:17.50"],["3UA5_A_06XA501_1","CYTOCHROME P450 2B6","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"ILE A 183;ILE A  95;GLU A 210;LEU A 106","None","0.81A","3ua5A-2d4eA:undetectable","3ua5A-2d4eA:23.68"],["4A84_A_DXCA1161_0","MAJOR POLLEN ALLERGEN BET V 1-A","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"PHE A 475;PRO A 185;LEU A 187;VAL A 193;SER A 179","None","1.33A","4a84A-2d4eA:undetectable","4a84A-2d4eA:16.16"],["4CX3_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.24A","4cx3A-2d4eA:undetectable;4cx3B-2d4eA:undetectable","4cx3A-2d4eA:23.19;4cx3B-2d4eA:23.19"],["4CX3_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.25A","4cx3A-2d4eA:undetectable;4cx3B-2d4eA:undetectable","4cx3A-2d4eA:23.19;4cx3B-2d4eA:23.19"],["4CX4_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.24A","4cx4A-2d4eA:undetectable;4cx4B-2d4eA:undetectable","4cx4A-2d4eA:23.19;4cx4B-2d4eA:23.19"],["4CX4_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.27A","4cx4A-2d4eA:undetectable;4cx4B-2d4eA:undetectable","4cx4A-2d4eA:23.19;4cx4B-2d4eA:23.19"],["4EYR_B_RITB301_2","HIV-1 PROTEASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"GLY A 487;ALA A 491;ASP A 493;PRO A 270;THR A 246","None","1.28A","4eyrB-2d4eA:undetectable","4eyrB-2d4eA:10.93"],["4GRK_A_KTRA713_1","LACTOTRANSFERRIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"THR A 246;GLY A 167;VAL A 242;TYR A 495","None","1.08A","4grkA-2d4eA:1.3","4grkA-2d4eA:20.85"],["4K8C_A_ADNA401_2","SUGAR KINASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"SER A 481;TYR A 435;PRO A 270","None","0.90A","4k8cA-2d4eA:3.3","4k8cA-2d4eA:22.69"],["4KAH_A_ADNA401_2","PROBABLE SUGAR KINASE PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"SER A 481;TYR A 435;PRO A 270","None","0.93A","4kahA-2d4eA:3.5","4kahA-2d4eA:22.69"],["4KAH_B_ADNB502_2","PROBABLE SUGAR KINASE PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"SER A 481;TYR A 435;PRO A 270","None","0.92A","4kahB-2d4eA:3.3","4kahB-2d4eA:22.69"],["4KAN_A_ADNA401_2","PROBABLE SUGAR KINASE PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"SER A 481;TYR A 435;PRO A 270","None","0.91A","4kanA-2d4eA:3.3","4kanA-2d4eA:22.69"],["4KAN_B_ADNB401_2","PROBABLE SUGAR KINASE PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"SER A 481;TYR A 435;PRO A 270","None","0.90A","4kanB-2d4eA:3.3","4kanB-2d4eA:22.69"],["4KBE_A_ADNA401_2","PROBABLE SUGAR KINASE PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"SER A 481;TYR A 435;PRO A 270","None","0.93A","4kbeA-2d4eA:3.6","4kbeA-2d4eA:22.69"],["4KBE_B_ADNB401_2","PROBABLE SUGAR KINASE PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"SER A 481;TYR A 435;PRO A 270","None","0.94A","4kbeB-2d4eA:3.5","4kbeB-2d4eA:22.69"],["4LBG_A_ADNA401_2","PROBABLE SUGAR KINASE PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"SER A 481;TYR A 435;PRO A 270","None","0.90A","4lbgA-2d4eA:3.3","4lbgA-2d4eA:22.69"],["4LBG_B_ADNB401_2","PROBABLE SUGAR KINASE PROTEIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"SER A 481;TYR A 435;PRO A 270","None","0.91A","4lbgB-2d4eA:3.3","4lbgB-2d4eA:22.69"],["4NKX_B_STRB601_1","STEROID 17-ALPHA-HYDROXYLASE\/17,20 LYASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"ALA A 329;PHE A 298;ILE A 410;GLY A 374;ALA A 417","None","0.95A","4nkxB-2d4eA:undetectable","4nkxB-2d4eA:21.40"],["4V1F_B_BQ1B1087_0","F0F1 ATP SYNTHASE SUBUNIT C","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"ALA A 331;ALA A 329;ILE A 332;ALA A 292;PHE A 295","None","0.91A","4v1fA-2d4eA:undetectable;4v1fB-2d4eA:undetectable","4v1fA-2d4eA:10.12;4v1fB-2d4eA:10.12"],["4ZME_B_ADNB902_1","MYOSIN HEAVY CHAIN KINASE A","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"VAL A 121;LEU A 176;GLU A 110;LEU A 106;THR A 204","None","1.20A","4zmeB-2d4eA:undetectable","4zmeB-2d4eA:20.08"],["5ADD_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.20A","5addA-2d4eA:undetectable;5addB-2d4eA:undetectable","5addA-2d4eA:23.19;5addB-2d4eA:23.19"],["5ADE_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.15A","5adeA-2d4eA:undetectable;5adeB-2d4eA:undetectable","5adeA-2d4eA:23.19;5adeB-2d4eA:23.19"],["5E3I_A_HISA502_0","HISTIDINE--TRNA LIGASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"ARG A  19;LEU A 338;GLY A 115;GLY A 345;ALA A  50","None","1.17A","5e3iA-2d4eA:2.7","5e3iA-2d4eA:23.15"],["5EB5_A_010A609_0","HNL ISOENZYME 5","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"ALA A 235;ALA A 232;VAL A 225;LEU A 245;VAL A 194","None","1.27A","5eb5A-2d4eA:undetectable","5eb5A-2d4eA:22.58"],["5EB5_B_010B607_0","HNL ISOENZYME 5","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"ALA A 235;ALA A 232;VAL A 225;LEU A 245;VAL A 194","None","1.27A","5eb5B-2d4eA:undetectable","5eb5B-2d4eA:22.58"],["5G0P_A_H4BA760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"VAL A 326;VAL A 294;PHE A 321;GLU A 327","None","1.20A","5g0pA-2d4eA:undetectable;5g0pB-2d4eA:undetectable","5g0pA-2d4eA:23.19;5g0pB-2d4eA:23.19"],["5G0P_B_H4BB760_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"PHE A 321;GLU A 327;VAL A 326;VAL A 294","None","1.23A","5g0pA-2d4eA:undetectable;5g0pB-2d4eA:undetectable","5g0pA-2d4eA:23.19;5g0pB-2d4eA:23.19"],["5H5F_A_SAMA301_0","PROTEIN ARGININE N-METHYLTRANSFERASE SFM1","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"LEU A 195;PHE A 222;ILE A  31;ARG A  68;ALA A 209","None","1.12A","5h5fA-2d4eA:3.4","5h5fA-2d4eA:18.61"],["5HWA_A_GCSA303_1","CHITOSANASE","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"HIS A 239;VAL A 225;GLY A 233;ALA A 232","None;None;GOL A1801 (-3.4A);None","1.04A","5hwaA-2d4eA:undetectable","5hwaA-2d4eA:18.45"],["5TUD_A_ERMA2001_1","5-HYDROXYTRYPTAMINE RECEPTOR 2B,SOLUBLE CYTOCHROME B562 CHIMERA","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",5,"SER A 465;ALA A 289;LEU A 427;LEU A 456;VAL A 461","None","1.05A","5tudA-2d4eA:undetectable","5tudA-2d4eA:24.43"],["5Z12_B_9CRB501_2","RETINOIC ACID RECEPTOR RXR-ALPHA","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",3,"GLN A 116;ILE A 211;HIS A 102","None","0.67A","5z12B-2d4eA:undetectable","5z12B-2d4eA:13.87"],["5Z84_W_CHDW101_0","CYTOCHROME C OXIDASE SUBUNIT 1;CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"ILE A  95;PHE A 132;ARG A  88;THR A 192","None","1.29A","5z84N-2d4eA:undetectable;5z84W-2d4eA:undetectable","5z84N-2d4eA:21.68;5z84W-2d4eA:7.77"],["6B89_B_NOVB403_1","LIPOPOLYSACCHARIDE EXPORT SYSTEM ATP-BINDING PROTEIN LPTB;LIPOPOLYSACCHARIDE EXPORT SYSTEM ATP-BINDING PROTEIN LPTB","2d4e","5-CARBOXYMETHYL-2-HYDROXYMUCONATE SEMIALDEHYDE DEHYDROGENASE","Thermus thermophilus",4,"ARG A  19;LEU A  22;ALA A  27;GLN A 226","None","1.10A","6b89A-2d4eA:0.6","6b89A-2d4eA:11.06"]]