SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ke4'

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.	1GSF_A_EAAA223_1 (GLUTATHIONE TRANSFERASE A1-1)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	4 / 8	GLY A 413 LEU A 433 VAL A 277 PHE A 416	None None None PG4 A 501 (-4.6A)	1.15A	1gsfA-4ke4A: undetectable	1gsfA-4ke4A: 21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1GSF_B_EAAB223_1 (GLUTATHIONE TRANSFERASE A1-1)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	4 / 8	GLY A 413 LEU A 433 VAL A 277 PHE A 416	None None None PG4 A 501 (-4.6A)	1.16A	1gsfB-4ke4A: undetectable	1gsfB-4ke4A: 21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1GSF_D_EAAD223_1 (GLUTATHIONE TRANSFERASE A1-1)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	4 / 8	GLY A 413 LEU A 433 VAL A 277 PHE A 416	None None None PG4 A 501 (-4.6A)	1.16A	1gsfD-4ke4A: undetectable	1gsfD-4ke4A: 21.74
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.	2DDW_A_PXLA1003_1 (PYRIDOXINE KINASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	4 / 8	VAL A 317 LEU A 196 PRO A 310 ASP A 166	None	0.94A	2ddwA-4ke4A: undetectable	2ddwA-4ke4A: 20.39
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.	2JN3_A_JN3A130_1 (FATTY ACID-BINDING PROTEIN, LIVER)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	LEU A 383 ALA A 415 ILE A 431 HIS A 392 ILE A 391	None	1.11A	2jn3A-4ke4A: undetectable	2jn3A-4ke4A: 14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2NMZ_B_ROCB401_2 (PROTEASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	3 / 3	ARG A 304 VAL A 210 THR A 322	PG4 A 502 (-2.8A) None None	0.66A	2nmzA-4ke4A: undetectable	2nmzA-4ke4A: 12.03
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.	2OUZ_A_C3DA999_1 (ESTROGEN RECEPTOR)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	4 / 6	ALA A 199 ASP A 358 GLU A 361 ARG A 90	None	1.35A	2ouzA-4ke4A: undetectable	2ouzA-4ke4A: 20.18
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.	2QD2_A_CHDA426_0 (FERROCHELATASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	4 / 4	LEU A 309 PRO A 310 LEU A 196 ARG A 198	None	1.49A	2qd2A-4ke4A: undetectable	2qd2A-4ke4A: 19.53
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.	3A9E_B_REAB1_1 (RETINOIC ACID RECEPTOR ALPHA)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 11	LEU A 144 ILE A 156 SER A 38 PHE A 396 LEU A 180	None	1.37A	3a9eB-4ke4A: undetectable	3a9eB-4ke4A: 19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3ADX_B_IMNB3_1 (PEROXISOME PROLIFERATOR-ACTIVAT ED RECEPTOR GAMMA)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	6 / 12	LEU A 144 GLY A 153 ALA A 105 ILE A 3 LEU A 127 VAL A 39	None	1.11A	3adxB-4ke4A: undetectable	3adxB-4ke4A: 21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3K4V_D_ROCD201_4 (HIV-1 PROTEASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	3 / 3	ARG A 304 VAL A 210 THR A 322	PG4 A 502 (-2.8A) None None	0.61A	3k4vD-4ke4A: undetectable	3k4vD-4ke4A: 11.38
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.	3NDT_A_ROCA101_2 (PROTEASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	3 / 3	ARG A 304 VAL A 210 THR A 322	PG4 A 502 (-2.8A) None None	0.72A	3ndtA-4ke4A: undetectable	3ndtA-4ke4A: 11.16
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.	3T3R_A_9PLA501_1 (CYTOCHROME P450 2A6)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 11	PHE A 403 VAL A 39 PHE A 41 GLY A 408 LEU A 127	None	1.15A	3t3rA-4ke4A: undetectable	3t3rA-4ke4A: 21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4C9K_B_CAMB424_0 (CYTOCHROME P450)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 9	LEU A 295 LEU A 381 GLY A 382 VAL A 417 VAL A 429	None	1.33A	4c9kB-4ke4A: undetectable	4c9kB-4ke4A: 24.51
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.	4C9N_B_CAMB1420_0 (CYTOCHROME P450)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 10	LEU A 295 LEU A 381 GLY A 382 VAL A 417 VAL A 429	None	1.33A	4c9nB-4ke4A: undetectable	4c9nB-4ke4A: 24.51
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.	4C9P_A_CAMA423_0 (CYTOCHROME P450)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 9	LEU A 295 LEU A 381 GLY A 382 VAL A 417 VAL A 429	None	1.37A	4c9pA-4ke4A: undetectable	4c9pA-4ke4A: 24.05
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.	4C9P_B_CAMB423_0 (CYTOCHROME P450)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 10	LEU A 295 LEU A 381 GLY A 382 VAL A 417 VAL A 429	None	1.36A	4c9pB-4ke4A: undetectable	4c9pB-4ke4A: 24.05
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.	4G1B_A_ECNA403_1 (FLAVOHEMOGLOBIN)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	PHE A 102 ALA A 68 LEU A 69 VAL A 146 LEU A 144	None	0.69A	4g1bA-4ke4A: undetectable	4g1bA-4ke4A: 21.58
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.	4I1R_A_LZUA801_1 (MUCOSA-ASSOCIATED LYMPHOID TISSUE LYMPHOMA TRANSLOCATION PROTEIN 1)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	LEU A 418 ALA A 430 LEU A 244 LEU A 427 LEU A 383	None	1.11A	4i1rA-4ke4A: undetectable	4i1rA-4ke4A: 22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4J6C_A_STRA501_1 (CYTOCHROME P450 MONOOXYGENASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 11	ALA A 271 ALA A 275 ALA A 274 VAL A 429 LEU A 427	None	1.09A	4j6cA-4ke4A: undetectable	4j6cA-4ke4A: 24.81
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.	4J6C_B_STRB503_1 (CYTOCHROME P450 MONOOXYGENASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 10	ALA A 271 ALA A 275 ALA A 274 VAL A 429 LEU A 427	None	1.08A	4j6cB-4ke4A: undetectable	4j6cB-4ke4A: 24.81
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.	4KKY_X_CAMX503_0 (CAMPHOR 5-MONOOXYGENASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	4 / 6	PHE A 173 LEU A 144 VAL A 100 VAL A 164	None	1.17A	4kkyX-4ke4A: undetectable	4kkyX-4ke4A: 21.89
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.	4L49_A_CAMA502_0 (CAMPHOR 5-MONOOXYGENASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	4 / 5	PHE A 173 LEU A 144 VAL A 100 VAL A 164	None	1.21A	4l49A-4ke4A: undetectable	4l49A-4ke4A: 21.47
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.	4L4C_A_CAMA502_0 (CAMPHOR 5-MONOOXYGENASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	4 / 6	PHE A 173 LEU A 144 VAL A 100 VAL A 164	None	1.13A	4l4cA-4ke4A: undetectable	4l4cA-4ke4A: 22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4MME_B_29QB603_1 (TRANSPORTER)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 9	TYR A 411 ALA A 415 GLY A 372 PHE A 376 GLY A 413	PG4 A 501 ( 4.7A) None None None None	1.28A	4mmeB-4ke4A: undetectable	4mmeB-4ke4A: 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.	4QVP_H_BO2H301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.24A	4qvpH-4ke4A: undetectable 4qvpI-4ke4A: undetectable	4qvpH-4ke4A: 21.95 4qvpI-4ke4A: 17.84
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.	4QVY_V_BO2V301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.24A	4qvyV-4ke4A: undetectable 4qvyW-4ke4A: undetectable	4qvyV-4ke4A: 21.95 4qvyW-4ke4A: 17.84
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.	4QW0_H_BO2H301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 11	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.24A	4qw0H-4ke4A: undetectable 4qw0I-4ke4A: undetectable	4qw0H-4ke4A: 21.95 4qw0I-4ke4A: 17.84
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.	4QW0_V_BO2V301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 11	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.24A	4qw0V-4ke4A: undetectable 4qw0W-4ke4A: undetectable	4qw0V-4ke4A: 21.95 4qw0W-4ke4A: 17.84
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.	4QW1_H_BO2H301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.24A	4qw1H-4ke4A: undetectable 4qw1I-4ke4A: undetectable	4qw1H-4ke4A: 21.95 4qw1I-4ke4A: 17.84
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.	4QW1_V_BO2V301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.25A	4qw1V-4ke4A: undetectable 4qw1W-4ke4A: undetectable	4qw1V-4ke4A: 21.95 4qw1W-4ke4A: 17.84
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.	5BXN_H_BO2H301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 11	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.23A	5bxnH-4ke4A: undetectable 5bxnI-4ke4A: undetectable	5bxnH-4ke4A: 21.95 5bxnI-4ke4A: 17.84
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.	5CZ7_V_BO2V301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.24A	5cz7V-4ke4A: undetectable 5cz7W-4ke4A: undetectable	5cz7V-4ke4A: 21.95 5cz7W-4ke4A: 17.84
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.	5IKT_A_TLFA601_1 (PROSTAGLANDIN G/H SYNTHASE 2)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	3 / 3	LEU A 171 TYR A 40 SER A 38	None	0.79A	5iktA-4ke4A: undetectable	5iktA-4ke4A: 20.92
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.	5J2T_C_VLBC503_2 (TUBULIN ALPHA-1B CHAIN)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	6 / 12	LEU A 252 LYS A 243 VAL A 429 ILE A 431 ALA A 240 VAL A 277	None	1.28A	5j2tC-4ke4A: undetectable	5j2tC-4ke4A: 23.02
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.	5L66_H_BO2H301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.24A	5l66H-4ke4A: undetectable 5l66I-4ke4A: undetectable	5l66H-4ke4A: 21.95 5l66I-4ke4A: 17.84
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.	5L66_V_BO2V301_1 (PROTEASOME SUBUNIT BETA TYPE-2 PROTEASOME SUBUNIT BETA TYPE-3)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	ALA A 289 GLY A 328 THR A 329 ALA A 332 THR A 331	None	1.25A	5l66V-4ke4A: undetectable 5l66W-4ke4A: undetectable	5l66V-4ke4A: 21.95 5l66W-4ke4A: 17.84
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.	5WWS_A_SAMA501_0 (PUTATIVE METHYLTRANSFERASE NSUN6)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	ALA A 394 GLY A 397 GLY A 157 LEU A 142 LEU A 144	None	1.16A	5wwsA-4ke4A: undetectable	5wwsA-4ke4A: 21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5X7P_B_ACRB1471_1 (GLYCOSIDE HYDROLASE FAMILY 31 ALPHA-GLUCOSIDASE)	4ke4	HYDROXYCINNAMOYL-COA :SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE (Sorghum bicolor)	5 / 12	ARG A 354 GLY A 26 LEU A 357 TYR A 212 HIS A 209	None	1.37A	5x7pB-4ke4A: undetectable	5x7pB-4ke4A: 17.50

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1GSF_A_EAAA223_1","GLUTATHIONE TRANSFERASE A1-1","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",4,"GLY A 413;LEU A 433;VAL A 277;PHE A 416","None;None;None;PG4 A 501 (-4.6A)","1.15A","1gsfA-4ke4A:undetectable","1gsfA-4ke4A:21.74"],["1GSF_B_EAAB223_1","GLUTATHIONE TRANSFERASE A1-1","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",4,"GLY A 413;LEU A 433;VAL A 277;PHE A 416","None;None;None;PG4 A 501 (-4.6A)","1.16A","1gsfB-4ke4A:undetectable","1gsfB-4ke4A:21.74"],["1GSF_D_EAAD223_1","GLUTATHIONE TRANSFERASE A1-1","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",4,"GLY A 413;LEU A 433;VAL A 277;PHE A 416","None;None;None;PG4 A 501 (-4.6A)","1.16A","1gsfD-4ke4A:undetectable","1gsfD-4ke4A:21.74"],["2DDW_A_PXLA1003_1","PYRIDOXINE KINASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",4,"VAL A 317;LEU A 196;PRO A 310;ASP A 166","None","0.94A","2ddwA-4ke4A:undetectable","2ddwA-4ke4A:20.39"],["2JN3_A_JN3A130_1","FATTY ACID-BINDING PROTEIN, LIVER","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"LEU A 383;ALA A 415;ILE A 431;HIS A 392;ILE A 391","None","1.11A","2jn3A-4ke4A:undetectable","2jn3A-4ke4A:14.90"],["2NMZ_B_ROCB401_2","PROTEASE;PROTEASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",3,"ARG A 304;VAL A 210;THR A 322","PG4 A 502 (-2.8A);None;None","0.66A","2nmzA-4ke4A:undetectable","2nmzA-4ke4A:12.03"],["2OUZ_A_C3DA999_1","ESTROGEN RECEPTOR","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",4,"ALA A 199;ASP A 358;GLU A 361;ARG A  90","None","1.35A","2ouzA-4ke4A:undetectable","2ouzA-4ke4A:20.18"],["2QD2_A_CHDA426_0","FERROCHELATASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",4,"LEU A 309;PRO A 310;LEU A 196;ARG A 198","None","1.49A","2qd2A-4ke4A:undetectable","2qd2A-4ke4A:19.53"],["3A9E_B_REAB1_1","RETINOIC ACID RECEPTOR ALPHA","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"LEU A 144;ILE A 156;SER A  38;PHE A 396;LEU A 180","None","1.37A","3a9eB-4ke4A:undetectable","3a9eB-4ke4A:19.65"],["3ADX_B_IMNB3_1","PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",6,"LEU A 144;GLY A 153;ALA A 105;ILE A   3;LEU A 127;VAL A  39","None","1.11A","3adxB-4ke4A:undetectable","3adxB-4ke4A:21.29"],["3K4V_D_ROCD201_4","HIV-1 PROTEASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",3,"ARG A 304;VAL A 210;THR A 322","PG4 A 502 (-2.8A);None;None","0.61A","3k4vD-4ke4A:undetectable","3k4vD-4ke4A:11.38"],["3NDT_A_ROCA101_2","PROTEASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",3,"ARG A 304;VAL A 210;THR A 322","PG4 A 502 (-2.8A);None;None","0.72A","3ndtA-4ke4A:undetectable","3ndtA-4ke4A:11.16"],["3T3R_A_9PLA501_1","CYTOCHROME P450 2A6","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"PHE A 403;VAL A  39;PHE A  41;GLY A 408;LEU A 127","None","1.15A","3t3rA-4ke4A:undetectable","3t3rA-4ke4A:21.90"],["4C9K_B_CAMB424_0","CYTOCHROME P450","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"LEU A 295;LEU A 381;GLY A 382;VAL A 417;VAL A 429","None","1.33A","4c9kB-4ke4A:undetectable","4c9kB-4ke4A:24.51"],["4C9N_B_CAMB1420_0","CYTOCHROME P450","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"LEU A 295;LEU A 381;GLY A 382;VAL A 417;VAL A 429","None","1.33A","4c9nB-4ke4A:undetectable","4c9nB-4ke4A:24.51"],["4C9P_A_CAMA423_0","CYTOCHROME P450","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"LEU A 295;LEU A 381;GLY A 382;VAL A 417;VAL A 429","None","1.37A","4c9pA-4ke4A:undetectable","4c9pA-4ke4A:24.05"],["4C9P_B_CAMB423_0","CYTOCHROME P450","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"LEU A 295;LEU A 381;GLY A 382;VAL A 417;VAL A 429","None","1.36A","4c9pB-4ke4A:undetectable","4c9pB-4ke4A:24.05"],["4G1B_A_ECNA403_1","FLAVOHEMOGLOBIN","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"PHE A 102;ALA A  68;LEU A  69;VAL A 146;LEU A 144","None","0.69A","4g1bA-4ke4A:undetectable","4g1bA-4ke4A:21.58"],["4I1R_A_LZUA801_1","MUCOSA-ASSOCIATED LYMPHOID TISSUE LYMPHOMA TRANSLOCATION PROTEIN 1","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"LEU A 418;ALA A 430;LEU A 244;LEU A 427;LEU A 383","None","1.11A","4i1rA-4ke4A:undetectable","4i1rA-4ke4A:22.22"],["4J6C_A_STRA501_1","CYTOCHROME P450 MONOOXYGENASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 271;ALA A 275;ALA A 274;VAL A 429;LEU A 427","None","1.09A","4j6cA-4ke4A:undetectable","4j6cA-4ke4A:24.81"],["4J6C_B_STRB503_1","CYTOCHROME P450 MONOOXYGENASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 271;ALA A 275;ALA A 274;VAL A 429;LEU A 427","None","1.08A","4j6cB-4ke4A:undetectable","4j6cB-4ke4A:24.81"],["4KKY_X_CAMX503_0","CAMPHOR 5-MONOOXYGENASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",4,"PHE A 173;LEU A 144;VAL A 100;VAL A 164","None","1.17A","4kkyX-4ke4A:undetectable","4kkyX-4ke4A:21.89"],["4L49_A_CAMA502_0","CAMPHOR 5-MONOOXYGENASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",4,"PHE A 173;LEU A 144;VAL A 100;VAL A 164","None","1.21A","4l49A-4ke4A:undetectable","4l49A-4ke4A:21.47"],["4L4C_A_CAMA502_0","CAMPHOR 5-MONOOXYGENASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",4,"PHE A 173;LEU A 144;VAL A 100;VAL A 164","None","1.13A","4l4cA-4ke4A:undetectable","4l4cA-4ke4A:22.42"],["4MME_B_29QB603_1","TRANSPORTER","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"TYR A 411;ALA A 415;GLY A 372;PHE A 376;GLY A 413","PG4 A 501 ( 4.7A);None;None;None;None","1.28A","4mmeB-4ke4A:undetectable","4mmeB-4ke4A:21.56"],["4QVP_H_BO2H301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.24A","4qvpH-4ke4A:undetectable;4qvpI-4ke4A:undetectable","4qvpH-4ke4A:21.95;4qvpI-4ke4A:17.84"],["4QVY_V_BO2V301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.24A","4qvyV-4ke4A:undetectable;4qvyW-4ke4A:undetectable","4qvyV-4ke4A:21.95;4qvyW-4ke4A:17.84"],["4QW0_H_BO2H301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.24A","4qw0H-4ke4A:undetectable;4qw0I-4ke4A:undetectable","4qw0H-4ke4A:21.95;4qw0I-4ke4A:17.84"],["4QW0_V_BO2V301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.24A","4qw0V-4ke4A:undetectable;4qw0W-4ke4A:undetectable","4qw0V-4ke4A:21.95;4qw0W-4ke4A:17.84"],["4QW1_H_BO2H301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.24A","4qw1H-4ke4A:undetectable;4qw1I-4ke4A:undetectable","4qw1H-4ke4A:21.95;4qw1I-4ke4A:17.84"],["4QW1_V_BO2V301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.25A","4qw1V-4ke4A:undetectable;4qw1W-4ke4A:undetectable","4qw1V-4ke4A:21.95;4qw1W-4ke4A:17.84"],["5BXN_H_BO2H301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.23A","5bxnH-4ke4A:undetectable;5bxnI-4ke4A:undetectable","5bxnH-4ke4A:21.95;5bxnI-4ke4A:17.84"],["5CZ7_V_BO2V301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.24A","5cz7V-4ke4A:undetectable;5cz7W-4ke4A:undetectable","5cz7V-4ke4A:21.95;5cz7W-4ke4A:17.84"],["5IKT_A_TLFA601_1","PROSTAGLANDIN G\/H SYNTHASE 2","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",3,"LEU A 171;TYR A  40;SER A  38","None","0.79A","5iktA-4ke4A:undetectable","5iktA-4ke4A:20.92"],["5J2T_C_VLBC503_2","TUBULIN ALPHA-1B CHAIN","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",6,"LEU A 252;LYS A 243;VAL A 429;ILE A 431;ALA A 240;VAL A 277","None","1.28A","5j2tC-4ke4A:undetectable","5j2tC-4ke4A:23.02"],["5L66_H_BO2H301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.24A","5l66H-4ke4A:undetectable;5l66I-4ke4A:undetectable","5l66H-4ke4A:21.95;5l66I-4ke4A:17.84"],["5L66_V_BO2V301_1","PROTEASOME SUBUNIT BETA TYPE-2;PROTEASOME SUBUNIT BETA TYPE-3","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 289;GLY A 328;THR A 329;ALA A 332;THR A 331","None","1.25A","5l66V-4ke4A:undetectable;5l66W-4ke4A:undetectable","5l66V-4ke4A:21.95;5l66W-4ke4A:17.84"],["5WWS_A_SAMA501_0","PUTATIVE METHYLTRANSFERASE NSUN6","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ALA A 394;GLY A 397;GLY A 157;LEU A 142;LEU A 144","None","1.16A","5wwsA-4ke4A:undetectable","5wwsA-4ke4A:21.98"],["5X7P_B_ACRB1471_1","GLYCOSIDE HYDROLASE FAMILY 31 ALPHA-GLUCOSIDASE","4ke4","HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL TRANSFERASE","Sorghum bicolor",5,"ARG A 354;GLY A  26;LEU A 357;TYR A 212;HIS A 209","None","1.37A","5x7pB-4ke4A:undetectable","5x7pB-4ke4A:17.50"]]