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DrReposER ID	PDB	Ligand	Organism	Macromolecule	Pfam	Res.	Interface	HETATM
2JAP_A_J01A1249	2jap	J01 DB00766 (Clavulanate)	Streptomyces clavuligerus	CLAVALDEHYDE DEHYDROGENASE	PF00106 (adh_short)	13	MET A 95 LEU A 97 SER A 142 ILE A 143 ALA A 144 VAL A 149 ALA A 152 TYR A 155 GLN A 156 THR A 187 LEU A 192 TYR A 205 ARG A 208	J01 A1249
2JAP_B_J01B1249	2jap	J01 DB00766 (Clavulanate)	Streptomyces clavuligerus	CLAVALDEHYDE DEHYDROGENASE	no annotation	13	MET B 95 LEU B 97 SER B 142 ILE B 143 ALA B 144 VAL B 149 ALA B 152 TYR B 155 GLN B 156 THR B 187 LEU B 192 TYR B 205 ARG B 208	J01 B1249
2JAP_C_J01C1249	2jap	J01 DB00766 (Clavulanate)	Streptomyces clavuligerus	CLAVALDEHYDE DEHYDROGENASE	no annotation	13	MET C 95 LEU C 97 SER C 142 ILE C 143 ALA C 144 VAL C 149 ALA C 152 TYR C 155 GLN C 156 THR C 187 LEU C 192 TYR C 205 ARG C 208	J01 C1249
2JAP_D_J01D1249	2jap	J01 DB00766 (Clavulanate)	Streptomyces clavuligerus	CLAVALDEHYDE DEHYDROGENASE	no annotation	13	MET D 95 LEU D 97 SER D 142 ILE D 143 ALA D 144 VAL D 149 ALA D 152 TYR D 155 GLN D 156 THR D 187 LEU D 192 TYR D 205 ARG D 208	J01 D1249
2OPX_A_DXCA1001	2opx	DXC DB03619 (Deoxycholic Acid)	Escherichia coli	ALDEHYDE DEHYDROGENASE A	PF00171 (Aldedh)	7	LEU A 100 PHE A 107 PHE A 154 ILE A 279 ASN A 286 PHE A 442 GLU A 443	DXC A1001
2OPX_A_DXCA1002	2opx	DXC DB03619 (Deoxycholic Acid)	Escherichia coli	ALDEHYDE DEHYDROGENASE A	PF00171 (Aldedh)	3	GLY A 315 ARG A 320 TYR A 364	DXC A1002
2OPX_A_DXCA1003	2opx	DXC DB03619 (Deoxycholic Acid)	Escherichia coli	ALDEHYDE DEHYDROGENASE A	PF00171 (Aldedh)	5	ILE A 97 LEU A 100 ASP A 275 ALA A 324 PHE A 442	DXC A1003
4FR8_A_TNGA601	4fr8	TNG DB00727 (Nitroglycerin)	Homo sapiens	ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL	PF00171 (Aldedh)	11	ASN A 169 PHE A 170 LEU A 173 MET A 174 TRP A 177 GLN A 268 SER A 301 CYS A 302 SER A 303 ASP A 457 PHE A 459	TNG A 601
5FHZ_A_REAA602	5fhz	REA DB00755 (Tretinoin)	Homo sapiens	ALDEHYDE DEHYDROGENASE FAMILY 1 MEMBER A3	PF00171 (Aldedh)	13	ILE A 132 GLY A 136 ARG A 139 THR A 140 ASN A 181 PHE A 182 LEU A 185 MET A 186 TRP A 189 CYS A 313 CYS A 314 THR A 315 LEU A 471	REA A 602
5FHZ_B_REAB602	5fhz	REA DB00755 (Tretinoin)	Homo sapiens	ALDEHYDE DEHYDROGENASE FAMILY 1 MEMBER A3	no annotation	9	ILE B 132 GLY B 136 THR B 140 LEU B 185 TRP B 189 GLN B 304 ASN B 469 LEU B 471 LEU B 489	REA B 602
5FHZ_C_REAC602	5fhz	REA DB00755 (Tretinoin)	Homo sapiens	ALDEHYDE DEHYDROGENASE FAMILY 1 MEMBER A3	no annotation	10	ILE C 132 GLY C 136 THR C 140 LEU C 185 TRP C 189 GLN C 304 PHE C 308 ASN C 469 LEU C 471 LEU C 489	REA C 602
5FHZ_D_READ602	5fhz	REA DB00755 (Tretinoin)	Homo sapiens	ALDEHYDE DEHYDROGENASE FAMILY 1 MEMBER A3	no annotation	12	ILE D 132 GLU D 135 GLY D 136 ARG D 139 ASN D 181 MET D 186 TRP D 189 GLU D 280 CYS D 313 CYS D 314 THR D 315 LEU D 471	REA D 602

[["2JAP_A_J01A1249","2jap","J01","DB00766(Clavulanate)","Streptomyces clavuligerus","CLAVALDEHYDE DEHYDROGENASE","PF00106(adh_short)",13,"MET A  95;LEU A  97;SER A 142;ILE A 143;ALA A 144;VAL A 149;ALA A 152;TYR A 155;GLN A 156;THR A 187;LEU A 192;TYR A 205;ARG A 208","J01 A1249\r"],["2JAP_B_J01B1249","2jap","J01","DB00766(Clavulanate)","Streptomyces clavuligerus","CLAVALDEHYDE DEHYDROGENASE","no annotation",13,"MET B  95;LEU B  97;SER B 142;ILE B 143;ALA B 144;VAL B 149;ALA B 152;TYR B 155;GLN B 156;THR B 187;LEU B 192;TYR B 205;ARG B 208","J01 B1249\r"],["2JAP_C_J01C1249","2jap","J01","DB00766(Clavulanate)","Streptomyces clavuligerus","CLAVALDEHYDE DEHYDROGENASE","no annotation",13,"MET C  95;LEU C  97;SER C 142;ILE C 143;ALA C 144;VAL C 149;ALA C 152;TYR C 155;GLN C 156;THR C 187;LEU C 192;TYR C 205;ARG C 208","J01 C1249\r"],["2JAP_D_J01D1249","2jap","J01","DB00766(Clavulanate)","Streptomyces clavuligerus","CLAVALDEHYDE DEHYDROGENASE","no annotation",13,"MET D  95;LEU D  97;SER D 142;ILE D 143;ALA D 144;VAL D 149;ALA D 152;TYR D 155;GLN D 156;THR D 187;LEU D 192;TYR D 205;ARG D 208","J01 D1249\r"],["2OPX_A_DXCA1001","2opx","DXC","DB03619(Deoxycholic Acid)","Escherichia coli","ALDEHYDE DEHYDROGENASE A","PF00171(Aldedh)",7,"LEU A 100;PHE A 107;PHE A 154;ILE A 279;ASN A 286;PHE A 442;GLU A 443","DXC A1001\r"],["2OPX_A_DXCA1002","2opx","DXC","DB03619(Deoxycholic Acid)","Escherichia coli","ALDEHYDE DEHYDROGENASE A","PF00171(Aldedh)",3,"GLY A 315;ARG A 320;TYR A 364","DXC A1002\r"],["2OPX_A_DXCA1003","2opx","DXC","DB03619(Deoxycholic Acid)","Escherichia coli","ALDEHYDE DEHYDROGENASE A","PF00171(Aldedh)",5,"ILE A  97;LEU A 100;ASP A 275;ALA A 324;PHE A 442","DXC A1003\r"],["4FR8_A_TNGA601","4fr8","TNG","DB00727(Nitroglycerin)","Homo sapiens","ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL","PF00171(Aldedh)",11,"ASN A 169;PHE A 170;LEU A 173;MET A 174;TRP A 177;GLN A 268;SER A 301;CYS A 302;SER A 303;ASP A 457;PHE A 459","TNG A 601\r"],["5FHZ_A_REAA602","5fhz","REA","DB00755(Tretinoin)","Homo sapiens","ALDEHYDE DEHYDROGENASE FAMILY 1 MEMBER A3","PF00171(Aldedh)",13,"ILE A 132;GLY A 136;ARG A 139;THR A 140;ASN A 181;PHE A 182;LEU A 185;MET A 186;TRP A 189;CYS A 313;CYS A 314;THR A 315;LEU A 471","REA A 602\r"],["5FHZ_B_REAB602","5fhz","REA","DB00755(Tretinoin)","Homo sapiens","ALDEHYDE DEHYDROGENASE FAMILY 1 MEMBER A3","no annotation",9,"ILE B 132;GLY B 136;THR B 140;LEU B 185;TRP B 189;GLN B 304;ASN B 469;LEU B 471;LEU B 489","REA B 602\r"],["5FHZ_C_REAC602","5fhz","REA","DB00755(Tretinoin)","Homo sapiens","ALDEHYDE DEHYDROGENASE FAMILY 1 MEMBER A3","no annotation",10,"ILE C 132;GLY C 136;THR C 140;LEU C 185;TRP C 189;GLN C 304;PHE C 308;ASN C 469;LEU C 471;LEU C 489","REA C 602\r"],["5FHZ_D_READ602","5fhz","REA","DB00755(Tretinoin)","Homo sapiens","ALDEHYDE DEHYDROGENASE FAMILY 1 MEMBER A3","no annotation",12,"ILE D 132;GLU D 135;GLY D 136;ARG D 139;ASN D 181;MET D 186;TRP D 189;GLU D 280;CYS D 313;CYS D 314;THR D 315;LEU D 471","REA D 602\r"]]