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DrReposER ID	PDB	Ligand	Organism	Macromolecule	Pfam	Res.	Interface	HETATM
1GXS_A_BEZA601	1gxs	BEZ DB03793 (Benzoic Acid)	Sorghum bicolor	P-(S)-HYDROXYMANDELO NITRILE LYASE CHAIN A; P-(S)-HYDROXYMANDELO NITRILE LYASE CHAIN B	PF00450 (Peptidase_S10)	7	GLY A 62 PRO A 64 ASP A 126 SER A 158 HIS A 160 TRP B 330 ALA B 333	BEZ A 601
1GXS_C_BEZC602	1gxs	BEZ DB03793 (Benzoic Acid)	Sorghum bicolor	P-(S)-HYDROXYMANDELO NITRILE LYASE CHAIN A; P-(S)-HYDROXYMANDELO NITRILE LYASE CHAIN B	None	9	GLY C 62 PRO C 64 ASP C 126 SER C 158 HIS C 160 MET C 228 TRP C 270 TRP D 330 ALA D 333	BEZ C 602
4PGH_A_SAMA401	4pgh	SAM DB00118 (S- Adenosylmethionine)	Sorghum bicolor	CAFFEIC ACID O-METHYLTRANSFERASE	PF00891 (Dimerisation) PF08100 (Methyltransf_2)	11	SER A 181 GLY A 206 GLY A 207 THR A 212 ASP A 229 LEU A 230 VAL A 233 ASP A 249 MET A 250 LYS A 263 ILE A 265	SAM A 401
4PGH_B_SAMB401	4pgh	SAM DB00118 (S- Adenosylmethionine)	Sorghum bicolor	CAFFEIC ACID O-METHYLTRANSFERASE	None	12	SER B 181 ASP B 204 GLY B 206 THR B 212 ASP B 229 LEU B 230 ASP B 249 MET B 250 LYS B 263 ILE B 265 ASP B 268 TRP B 269	SAM B 401
4PGH_C_SAMC401	4pgh	SAM DB00118 (S- Adenosylmethionine)	Sorghum bicolor	CAFFEIC ACID O-METHYLTRANSFERASE	None	11	SER C 181 GLY C 206 ASP C 229 LEU C 230 VAL C 233 ASP C 249 MET C 250 LYS C 263 TRP C 264 ILE C 265 TRP C 269	SAM C 401
4PGH_D_SAMD401	4pgh	SAM DB00118 (S- Adenosylmethionine)	Sorghum bicolor	CAFFEIC ACID O-METHYLTRANSFERASE	None	12	SER D 181 GLY D 206 GLY D 207 THR D 212 ASP D 229 LEU D 230 ASP D 249 MET D 250 PHE D 251 LYS D 263 ILE D 265 TRP D 269	SAM D 401
5KVA_A_SAMA301	5kva	SAM DB00118 (S- Adenosylmethionine)	Sorghum bicolor	CAFFEOYL-COA O-METHYLTRANSFERASE	PF01596 (Methyltransf_3)	15	MET A 75 THR A 76 THR A 77 GLU A 99 GLY A 101 TYR A 103 TYR A 106 SER A 107 ASP A 125 ILE A 126 ALA A 154 ASP A 177 ALA A 178 ASP A 179 TYR A 186	SAM A 301
5KVA_B_SAMB301	5kva	SAM DB00118 (S- Adenosylmethionine)	Sorghum bicolor	CAFFEOYL-COA O-METHYLTRANSFERASE	None	15	MET B 75 THR B 76 THR B 77 GLU B 99 GLY B 101 TYR B 103 TYR B 106 SER B 107 ASP B 125 ILE B 126 ALA B 154 ASP B 177 ALA B 178 ASP B 179 TYR B 186	SAM B 301

[["1GXS_A_BEZA601","1gxs","BEZ","DB03793(Benzoic Acid)","Sorghum bicolor","P-(S)-HYDROXYMANDELONITRILE LYASE CHAIN A;P-(S)-HYDROXYMANDELONITRILE LYASE CHAIN B","PF00450(Peptidase_S10)",7,"GLY A  62;PRO A  64;ASP A 126;SER A 158;HIS A 160;TRP B 330;ALA B 333","BEZ A 601\r"],["1GXS_C_BEZC602","1gxs","BEZ","DB03793(Benzoic Acid)","Sorghum bicolor","P-(S)-HYDROXYMANDELONITRILE LYASE CHAIN A;P-(S)-HYDROXYMANDELONITRILE LYASE CHAIN B","None",9,"GLY C  62;PRO C  64;ASP C 126;SER C 158;HIS C 160;MET C 228;TRP C 270;TRP D 330;ALA D 333","BEZ C 602\r"],["4PGH_A_SAMA401","4pgh","SAM","DB00118(S-Adenosylmethionine)","Sorghum bicolor","CAFFEIC ACID O-METHYLTRANSFERASE","PF00891(Dimerisation);PF08100(Methyltransf_2)",11,"SER A 181;GLY A 206;GLY A 207;THR A 212;ASP A 229;LEU A 230;VAL A 233;ASP A 249;MET A 250;LYS A 263;ILE A 265","SAM A 401\r"],["4PGH_B_SAMB401","4pgh","SAM","DB00118(S-Adenosylmethionine)","Sorghum bicolor","CAFFEIC ACID O-METHYLTRANSFERASE","None",12,"SER B 181;ASP B 204;GLY B 206;THR B 212;ASP B 229;LEU B 230;ASP B 249;MET B 250;LYS B 263;ILE B 265;ASP B 268;TRP B 269","SAM B 401\r"],["4PGH_C_SAMC401","4pgh","SAM","DB00118(S-Adenosylmethionine)","Sorghum bicolor","CAFFEIC ACID O-METHYLTRANSFERASE","None",11,"SER C 181;GLY C 206;ASP C 229;LEU C 230;VAL C 233;ASP C 249;MET C 250;LYS C 263;TRP C 264;ILE C 265;TRP C 269","SAM C 401\r"],["4PGH_D_SAMD401","4pgh","SAM","DB00118(S-Adenosylmethionine)","Sorghum bicolor","CAFFEIC ACID O-METHYLTRANSFERASE","None",12,"SER D 181;GLY D 206;GLY D 207;THR D 212;ASP D 229;LEU D 230;ASP D 249;MET D 250;PHE D 251;LYS D 263;ILE D 265;TRP D 269","SAM D 401\r"],["5KVA_A_SAMA301","5kva","SAM","DB00118(S-Adenosylmethionine)","Sorghum bicolor","CAFFEOYL-COA O-METHYLTRANSFERASE","PF01596(Methyltransf_3)",15,"MET A  75;THR A  76;THR A  77;GLU A  99;GLY A 101;TYR A 103;TYR A 106;SER A 107;ASP A 125;ILE A 126;ALA A 154;ASP A 177;ALA A 178;ASP A 179;TYR A 186","SAM A 301\r"],["5KVA_B_SAMB301","5kva","SAM","DB00118(S-Adenosylmethionine)","Sorghum bicolor","CAFFEOYL-COA O-METHYLTRANSFERASE","None",15,"MET B  75;THR B  76;THR B  77;GLU B  99;GLY B 101;TYR B 103;TYR B 106;SER B 107;ASP B 125;ILE B 126;ALA B 154;ASP B 177;ALA B 178;ASP B 179;TYR B 186","SAM B 301\r"]]