DRUG BINDING INTERFACES MAPPED TO 'SUBUNIT A'

List of Binding Interfaces
(Click on the entry ID to view details of interfaces and pattern clusters)
(Note that ASSAM search use only 3-12 residue containing patterns)
Filter list by:
DrReposER ID PDB Ligand Organism Macromolecule Pfam Res. Interface HETATM
2XCT_G_CPFG1020 2xct CPF

DB00537
(Ciprofloxacin) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		3 ARG B 458
GLY B 459
SER B1084
 CPF G1020
2XCT_H_CPFH1020 2xct CPF

DB00537
(Ciprofloxacin) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A 		no annotation 3 ARG D 458
GLU D 477
SER D1084
 CPF H1020
2XCT_X_CPFX1020 2xct CPF

DB00537
(Ciprofloxacin) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A 		no annotation 4 ARG S 458
GLY S 459
GLU S 477
SER U1084
 CPF X1020
3FOF_F_MFXF0 3fof MFX

DB00218
(Moxifloxacin) 		;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT A 		no annotation 3 GLY B  77
SER B  79
SER B  80
 MFX F   0
3FOF_H_MFXH0 3fof MFX

DB00218
(Moxifloxacin) 		;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT A;
DNA TOPOISOMERASE 4
SUBUNIT B 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		4 GLY A  77
SER A  79
SER A  80
ARG C 456
 MFX H   0
3JWQ_A_VIAA901 3jwq VIA

DB00203
(Sildenafil) 		Homo sapiens CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA 		PF00233
(PDEase_I) 		9 TYR A 612
HIS A 613
LEU A 725
VAL A 782
MET A 804
LEU A 813
GLN A 817
PHE A 820
VAL A 824
 VIA A 901
3JWQ_B_VIAB901 3jwq VIA

DB00203
(Sildenafil) 		Homo sapiens CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA 		no annotation 11 TYR B 612
HIS B 613
ASN B 661
LEU B 725
ALA B 767
VAL B 782
THR C 795
MET B 804
LEU B 813
GLN B 817
PHE B 820
 VIA B 901
3JWQ_C_VIAC901 3jwq VIA

DB00203
(Sildenafil) 		Homo sapiens CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA 		no annotation 7 TYR C 612
HIS C 613
MET C 804
LEU C 813
GLN C 817
PHE C 820
VAL C 824
 VIA C 901
3JWQ_D_VIAD901 3jwq VIA

DB00203
(Sildenafil) 		Homo sapiens CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA 		PF00233
(PDEase_I)
no annotation 		11 TYR D 612
HIS D 613
LEU D 725
ALA D 767
PHE D 786
ARG A 794
GLN A 798
MET D 804
LEU D 813
GLN D 817
PHE D 820
 VIA D 901
3K9F_F_LFXF0 3k9f LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT A;
DNA TOPOISOMERASE 4
SUBUNIT B 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		5 SER A  79
ARG B 117
ARG C 456
GLY C 457
GLU C 475
 LFX F   0
3K9F_H_LFXH0 3k9f LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT A;
DNA TOPOISOMERASE 4
SUBUNIT B 		PF00521
(DNA_topoisoIV)
no annotation 		6 SER B  79
ARG A 117
ARG D 456
GLY D 457
GLU D 474
GLU D 475
 LFX H   0
3N23_A_OBNA1 3n23 OBN

DB01092
(Ouabain) 		Sus scrofa SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		11 GLN A 111
PRO A 118
ASP A 121
ASN A 122
VAL A 322
ALA A 323
PHE A 783
PHE A 786
THR A 797
ILE A 800
ARG A 880
 OBN A   1
3N23_C_OBNC1 3n23 OBN

DB01092
(Ouabain) 		Sus scrofa SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1 		no annotation 11 GLN C 111
PRO C 118
ASP C 121
ASN C 122
LEU C 125
VAL C 322
ALA C 323
PHE C 783
PHE C 786
THR C 797
ARG C 880
 OBN C   1
3RAE_F_LFXF101 3rae LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT A;
DNA TOPOISOMERASE 4
SUBUNIT B 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		4 SER A  79
ARG C 456
GLY C 457
GLU C 474
 LFX F 101
3RAE_H_LFXH101 3rae LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT A;
DNA TOPOISOMERASE 4
SUBUNIT B 		no annotation 5 SER B  79
ARG D 456
GLY D 457
GLU D 474
GLU D 475
 LFX H 101
3SOA_A_DB8A445 3soa DB8

DB06616
(Bosutinib) 		Homo sapiens CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II
SUBUNIT ALPHA WITH A
BETA 7 LINKER 		PF00069
(Pkinase)
PF08332
(CaMKII_AD) 		6 LEU A  19
VAL A  27
MET A  42
PHE A  89
VAL A  92
PHE A 157
 DB8 A 445
3WAR_A_NIOA401 3war NIO

DB00627
(Niacin) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		8 VAL A  53
VAL A  66
LYS A  68
ILE A  95
PHE A 113
MET A 163
ILE A 174
ASP A 175
 NIO A 401
4E0F_A_RBFA301 4e0f RBF

DB00140
(Riboflavin) 		Brucella abortus RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA 		PF00677
(Lum_binding)
no annotation 		14 SER A  40
VAL A  46
CYS A  47
LEU A  48
THR A  49
TRP A  68
GLU A  70
ALA A  71
THR A  75
HIS A 106
VAL A 107
LYS B 140
THR B 151
ILE B 165
 RBF A 301
4HYT_A_OBNA1104 4hyt OBN

DB01092
(Ouabain) 		Sus scrofa SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		17 GLN A 111
GLU A 117
PRO A 118
ASP A 121
ASN A 122
LEU A 125
GLU A 312
ILE A 315
GLY A 319
VAL A 322
ALA A 323
PHE A 783
PHE A 786
LEU A 793
THR A 797
ILE A 800
ARG A 880
 OBN A1104
4HYT_C_OBNC2004 4hyt OBN

DB01092
(Ouabain) 		Sus scrofa SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1 		no annotation 16 GLN C 111
GLU C 117
PRO C 118
ASP C 121
ASN C 122
LEU C 125
GLU C 312
ILE C 315
GLY C 319
ALA C 323
PHE C 783
PHE C 786
LEU C 793
THR C 797
ILE C 800
ARG C 880
 OBN C2004
4IMX_A_H4BA502 4imx H4B

DB00360
(Sapropterin) 		Bos taurus SUBUNIT A PF02898
(NO_synthase)
no annotation 		6 VAL A 106
ARG A 367
TRP B 447
TRP A 449
PHE B 462
GLU B 465
 H4B A 502
4IMX_B_H4BB502 4imx H4B

DB00360
(Sapropterin) 		Bos taurus SUBUNIT A PF02898
(NO_synthase)
no annotation 		6 VAL B 106
ARG B 367
TRP A 447
TRP B 449
PHE A 462
GLU A 465
 H4B B 502
4JUO_F_LFXF101 4juo LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT A;
DNA TOPOISOMERASE 4
SUBUNIT B;
E-SITE DNA 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c)
no annotation 		4 SER A  79
ARG C 456
GLY C 457
GLU C 474
 LFX F 101
4KOE_F_TR6F101 4koe TR6

DB00685
(Trovafloxacin) 		;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT A;
DNA TOPOISOMERASE 4
SUBUNIT B;
E-SITE DNA2 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		6 SER A  79
ARG B 117
GLY C 434
ASP C 435
ARG C 456
GLY C 457
 TR6 F 101
4KOE_H_TR6H101 4koe TR6

DB00685
(Trovafloxacin) 		;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT A;
DNA TOPOISOMERASE 4
SUBUNIT B;
E-SITE DNA4 		PF00521
(DNA_topoisoIV)
no annotation 		7 SER B  79
ARG A 117
GLY D 434
ASP D 435
ARG D 456
GLY D 457
GLU D 475
 TR6 H 101
4RET_A_DGXA1107 4ret DGX

DB00390
(Digoxin) 		Sus scrofa SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		16 GLN A 111
ASP A 121
ASN A 122
LEU A 125
LEU A 311
GLU A 312
PHE A 316
GLY A 319
VAL A 322
ALA A 323
GLU A 327
PHE A 783
LEU A 793
THR A 797
ILE A 800
ARG A 880
 DGX A1107
4RET_C_DGXC2005 4ret DGX

DB00390
(Digoxin) 		Sus scrofa SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1 		no annotation 16 GLN C 111
GLU C 117
ASP C 121
ASN C 122
LEU C 125
LEU C 311
GLU C 312
GLY C 319
VAL C 322
ALA C 323
GLU C 327
PHE C 783
LEU C 793
THR C 797
ILE C 800
ARG C 880
 DGX C2005
4U8V_B_MIYB1103 4u8v MIY

DB01017
(Minocycline) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		no annotation 14 GLN B 151
LEU B 177
PHE B 178
GLY B 179
SER B 180
GLU B 273
ASN B 274
ASP B 276
ILE B 277
ALA B 279
PHE B 610
VAL B 612
PHE B 615
ARG B 620
 MIY B1103
4U8Y_B_MIYB1102 4u8y MIY

DB01017
(Minocycline) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		no annotation 12 PHE B 178
GLY B 179
SER B 180
GLU B 273
ASN B 274
ASP B 276
ILE B 277
ALA B 279
PHE B 610
VAL B 612
PHE B 615
ARG B 620
 MIY B1102
4U95_B_MIYB1102 4u95 MIY

DB01017
(Minocycline) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		no annotation 12 SER B  48
PHE B 178
GLY B 179
SER B 180
GLU B 273
ASN B 274
ASP B 276
ILE B 277
ALA B 279
VAL B 612
PHE B 615
ARG B 620
 MIY B1102
4XE5_A_OBNA1104 4xe5 OBN

DB01092
(Ouabain) 		Bos taurus SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase)
PF13246
(Cation_ATPase) 		18 GLN A 116
GLU A 121
GLU A 122
PRO A 123
ASP A 126
LEU A 130
GLU A 317
ILE A 320
GLY A 324
VAL A 327
ALA A 328
GLU A 332
PHE A 788
PHE A 791
THR A 802
ILE A 805
ARG A 885
ASP A 889
 OBN A1104
4Z2C_F_MFXF101 4z2c MFX

DB00218
(Moxifloxacin) 		Escherichia coli;
Streptococcus
pneumoniae 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
SYMMETRIZED E-SITE
DNA 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		4 SER B  81
ARG C 456
GLY C 457
GLU C 475
 MFX F 101
4Z2C_H_MFXH101 4z2c MFX

DB00218
(Moxifloxacin) 		Escherichia coli;
Streptococcus
pneumoniae 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
SYMMETRIZED E-SITE
DNA 		PF00521
(DNA_topoisoIV)
no annotation 		4 SER A  81
ARG D 456
GLY D 457
GLU D 475
 MFX H 101
4Z2D_F_LFXF102 4z2d LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		Escherichia coli;
Streptococcus
pneumoniae 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
SYMMETRIZED E-SITE
DNA 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		4 SER B  81
ARG C 456
GLY C 457
GLU C 475
 LFX F 102
4Z2D_H_LFXH101 4z2d LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		Escherichia coli;
Streptococcus
pneumoniae 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
SYMMETRIZED E-SITE
DNA 		PF00521
(DNA_topoisoIV)
no annotation 		4 SER A  81
ARG D 456
GLY D 457
GLU D 475
 LFX H 101
4Z2E_F_TR6F101 4z2e TR6

DB00685
(Trovafloxacin) 		Escherichia coli;
Streptococcus
pneumoniae 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
SYMMETRIZED E-SITE
DNA 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		5 SER B  81
GLY C 434
ARG C 456
GLY C 457
GLU C 475
 TR6 F 101
4Z2E_H_TR6H101 4z2e TR6

DB00685
(Trovafloxacin) 		Escherichia coli;
Streptococcus
pneumoniae 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
SYMMETRIZED E-SITE
DNA 		PF00521
(DNA_topoisoIV)
no annotation 		5 SER A  81
GLY D 434
ARG D 456
GLY D 457
GLU D 475
 TR6 H 101
4Z53_F_TR6F101 4z53 TR6

DB00685
(Trovafloxacin) 		Escherichia coli;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A;
E-SITE DNA 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		6 GLY A 434
ASP A 435
ARG A 456
GLY A 457
SER A1079
ARG B1117
 TR6 F 101
4Z53_H_TR6H101 4z53 TR6

DB00685
(Trovafloxacin) 		Escherichia coli;
Streptococcus
pneumoniae 		DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A;
E-SITE DNA 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		7 GLY B 434
ASP B 435
ARG B 456
GLY B 457
GLU B 475
SER B1079
ARG A1117
 TR6 H 101
4ZJL_A_ERYA1101 4zjl ERY

DB00199
(Erythromycin) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		PF00873
(ACR_tran) 		17 SER A  79
ASN A  81
SER A 134
SER A 135
LYS A 292
MET A 573
MET A 575
PHE A 615
PHE A 617
GLU A 673
ASP A 681
GLU A 683
GLU A 826
LEU A 828
THR A 860
GLY A 861
MET A 862
 ERY A1101
4ZJL_D_ERYD1101 4zjl ERY

DB00199
(Erythromycin) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		None 14 SER D  79
ASN D  81
SER D 134
SER D 135
LYS D 292
PHE D 615
PHE D 617
LEU D 674
ASP D 681
ASN D 719
ARG D 815
GLU D 817
GLU D 826
MET D 862
 ERY D1101
4ZJO_A_ERYA1101 4zjo ERY

DB00199
(Erythromycin) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		PF00873
(ACR_tran) 		14 SER A  79
ASN A  81
SER A 134
SER A 135
LYS A 292
MET A 573
ALA A 617
ASP A 681
GLU A 683
GLU A 817
GLU A 826
LEU A 828
THR A 860
MET A 862
 ERY A1101
4ZJO_D_ERYD1101 4zjo ERY

DB00199
(Erythromycin) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		None 11 TYR D  77
SER D  79
THR D  91
SER D 134
LYS D 292
ALA D 617
GLU D 673
ASP D 681
GLU D 826
THR D 860
GLY D 861
 ERY D1101
4ZJQ_A_ERYA1101 4zjq ERY

DB00199
(Erythromycin) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		PF00873
(ACR_tran) 		11 SER A  79
SER A 134
LYS A 292
MET A 573
LEU A 663
GLU A 668
ASP A 676
ASN A 714
GLU A 821
GLY A 856
MET A 857
 ERY A1101
4ZJQ_D_ERYD1101 4zjq ERY

DB00199
(Erythromycin) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		None 12 SER D  79
ASN D  81
THR D  91
SER D 134
LYS D 292
MET D 573
ILE D 621
PHE D 661
ASP D 676
ARG D 810
GLU D 812
GLU D 821
 ERY D1101
5BS8_G_MFXG101 5bs8 MFX

DB00218
(Moxifloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC 		PF00521
(DNA_topoisoIV)
no annotation 		7 ALA C  90
ARG A 128
ASP D 461
ARG D 482
GLY D 483
THR D 500
GLU D 501
 MFX G 101
5BS8_H_MFXH101 5bs8 MFX

DB00218
(Moxifloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		7 ALA A  90
ARG C 128
ASP B 461
ARG B 482
GLY B 483
THR B 500
GLU B 501
 MFX H 101
5BTA_G_MFXG101 5bta MFX

DB00218
(Moxifloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC 		PF00521
(DNA_topoisoIV)
no annotation 		7 SER C  90
ARG A 128
ASP D 461
ARG D 482
GLY D 483
THR D 500
GLU D 501
 MFX G 101
5BTA_H_MFXH101 5bta MFX

DB00218
(Moxifloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		6 SER A  90
ARG C 128
ARG B 482
GLY B 483
THR B 500
GLU B 501
 MFX H 101
5BTC_G_CPFG101 5btc CPF

DB00537
(Ciprofloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC 		PF00521
(DNA_topoisoIV)
no annotation 		6 SER C  90
ARG A 128
ARG D 482
GLY D 483
THR D 500
GLU D 501
 CPF G 101
5BTC_G_CPFG102 5btc CPF

DB00537
(Ciprofloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		6 SER A  90
ARG C 128
ARG B 482
GLY B 483
THR B 500
GLU B 501
 CPF G 102
5BTD_E_GFNE101 5btd GFN

DB01044
(Gatifloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		7 ALA A  90
ARG C 128
ASP B 461
ARG B 482
GLY B 483
THR B 500
GLU B 501
 GFN E 101
5BTD_G_GFNG101 5btd GFN

DB01044
(Gatifloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC 		PF00521
(DNA_topoisoIV)
no annotation 		7 ALA C  90
ARG A 128
ASP D 461
ARG D 482
GLY D 483
THR D 500
GLU D 501
 GFN G 101
5BTF_F_GFNF101 5btf GFN

DB01044
(Gatifloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		7 SER A  90
ARG C 128
ASP B 461
ARG B 482
GLY B 483
THR B 500
GLU B 501
 GFN F 101
5BTF_G_GFNG101 5btf GFN

DB01044
(Gatifloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC 		PF00521
(DNA_topoisoIV)
no annotation 		7 SER C  90
ARG A 128
ASP D 461
ARG D 482
GLY D 483
THR D 500
GLU D 501
 GFN G 101
5BTG_E_LFXE101 5btg LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		6 ALA A  90
ARG C 128
ARG B 482
GLY B 483
THR B 500
GLU B 501
 LFX E 101
5BTG_F_LFXF101 5btg LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC 		PF00521
(DNA_topoisoIV)
no annotation 		7 ALA C  90
ARG A 128
ASP D 461
ARG D 482
GLY D 483
THR D 500
GLU D 501
 LFX F 101
5BTI_E_LFXE101 5bti LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		5 SER A  90
ARG B 482
GLY B 483
THR B 500
GLU B 501
 LFX E 101
5BTI_F_LFXF101 5bti LFX

DB01137
(Levofloxacin)
DB01165
(Ofloxacin) 		Mycobacterium
tuberculosis;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B;
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC 		no annotation 5 SER C  90
ARG D 482
GLY D 483
THR D 500
GLU D 501
 LFX F 101
5CDN_G_EVPG2101 5cdn EVP

DB00773
(Etoposide) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		6 SER A  84
GLU A  88
GLY B 436
ASP B 437
ARG B 458
GLY B 459
 EVP G2101
5CDN_N_EVPN2101 5cdn EVP

DB00773
(Etoposide) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B 		no annotation 6 SER R  84
GLU R  88
GLY S 436
ASP S 437
ARG S 458
GLY S 459
 EVP N2101
5CDN_O_EVPO2101 5cdn EVP

DB00773
(Etoposide) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B 		no annotation 6 SER C  84
GLU C  88
GLY D 436
ASP D 437
ARG D 458
GLY D 459
 EVP O2101
5CDN_P_EVPP2101 5cdn EVP

DB00773
(Etoposide) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B 		no annotation 6 SER T  84
GLU T  88
GLY U 436
ASP U 437
ARG U 458
GLY U 459
 EVP P2101
5CDP_H_EVPH2101 5cdp EVP

DB00773
(Etoposide) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT B 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		6 SER A  84
GLU A  88
GLY B 436
ASP B 437
ARG B 458
GLY B 459
 EVP H2101
5CDQ_E_MFXE2101 5cdq MFX

DB00218
(Moxifloxacin) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		5 SER A  84
ARG C 122
ARG B 458
GLY B 459
GLU B 477
 MFX E2101
5CDQ_F_MFXF2101 5cdq MFX

DB00218
(Moxifloxacin) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B 		PF00521
(DNA_topoisoIV)
no annotation 		6 SER C  84
ARG A 122
ASP D 437
ARG D 458
GLY D 459
GLU D 477
 MFX F2101
5CDQ_V_MFXV2101 5cdq MFX

DB00218
(Moxifloxacin) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B 		no annotation 5 SER R  84
ARG T 122
ARG S 458
GLY S 459
GLU S 477
 MFX V2101
5CDQ_W_MFXW2101 5cdq MFX

DB00218
(Moxifloxacin) 		Staphylococcus
aureus;
synthetic
construct 		DNA GYRASE SUBUNIT
A;
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B 		no annotation 5 SER T  84
ARG R 122
ASP U 437
ARG U 458
GLU U 477
 MFX W2101
5CSH_B_ACTB401 5csh ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		None 5 ARG B  80
ARG B 155
LEU B 178
ASN B 189
VAL B 192
 ACT B 401
5CU6_A_ACTA402 5cu6 ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		4 ARG A  80
ARG A 155
LEU A 178
ASN A 189
 ACT A 402
5CU6_A_ACTA403 5cu6 ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		6 TYR A  39
ILE A  69
VAL A 101
ASP A 103
PRO A 104
ALA A 110
 ACT A 403
5CVF_A_ACTA403 5cvf ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		4 ARG A  80
ARG A 155
LEU A 178
ASN A 189
 ACT A 403
5ENT_C_MIYC901 5ent MIY

DB01017
(Minocycline) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB 		no annotation 9 SER C  48
GLN C 176
PHE C 178
GLY C 179
SER C 180
GLU C 273
ASN C 274
ILE C 277
ALA C 279
 MIY C 901
5FSE_C_HQEC1583 5fse HQE

DB09526
(Hydroquinone) 		Sporosarcina
pasteurii 		UREASE SUBUNIT ALPHA PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ILE C 350
GLN C 387
ARG C 388
CYS C 555
GLU C 556
 HQE C1583
5IZF_E_AZ1E2 5izf AZ1

DB00548
(Azelaic
Acid) 		Homo sapiens;
synthetic
construct 		6J9-ZEU-DAR-ACA-DAR-
NH2;
CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA 		PF00069
(Pkinase)
no annotation 		7 GLY A  50
GLY A  52
SER A  53
PHE A  54
LYS A  72
LEU A  74
GLU A 127
 AZ1 E   2
5IZJ_F_AZ1F2 5izj AZ1

DB00548
(Azelaic
Acid) 		Homo sapiens 47P-AZ1-DAR-DAR-DAR;
CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA 		no annotation 7 GLY B  50
GLY B  52
SER B  53
PHE B  54
GLY B  55
VAL B  57
LEU B  74
 AZ1 F   2
5IZJ_G_AZ1G2 5izj AZ1

DB00548
(Azelaic
Acid) 		Homo sapiens 47P-AZ1-DAR-DAR;
CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA 		PF00069
(Pkinase)
no annotation 		7 GLY A  50
GLY A  52
SER A  53
PHE A  54
VAL A  57
LYS A  72
LEU A  74
 AZ1 G   2
5J5X_B_AZ1B2 5j5x AZ1

DB00548
(Azelaic
Acid) 		Homo sapiens 47P-AZ1-DAL-DAR-DAR-
DAR-DAR;
CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA 		PF00069
(Pkinase)
no annotation 		7 GLY A  50
GLY A  52
SER A  53
PHE A  54
VAL A  57
LYS A  72
ASP A 184
 AZ1 B   2
5JMN_A_FUAA1101 5jmn FUA

DB02703
(Fusidic
Acid) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		PF00873
(ACR_tran) 		5 ILE A  27
LYS A 334
ILE A 337
HIS A 338
VAL A 341
 FUA A1101
5JMN_B_FUAB1101 5jmn FUA

DB02703
(Fusidic
Acid) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		no annotation 5 ILE B  27
LEU B 300
LYS B 334
HIS B 338
VAL B 341
 FUA B1101
5JMN_C_FUAC1101 5jmn FUA

DB02703
(Fusidic
Acid) 		Escherichia coli MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB 		no annotation 3 VAL C  32
HIS C 338
VAL C 341
 FUA C1101
5KXI_A_NCTA402 5kxi NCT

DB00184
(Nicotine) 		Homo sapiens NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4;
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		8 TRP B  57
TYR A 100
LEU B 121
TRP A 156
THR A 157
CYS A 199
CYS A 200
TYR A 204
 NCT A 402
5KXI_D_NCTD402 5kxi NCT

DB00184
(Nicotine) 		Homo sapiens NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4;
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2 		no annotation 8 TRP E  57
TYR D 100
LEU E 121
TRP D 156
THR D 157
CYS D 199
CYS D 200
TYR D 204
 NCT D 402
5N3H_A_NCAA401 5n3h NCA

DB02701
(Nicotinamide) 		Cricetulus
griseus 		CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA 		PF00069
(Pkinase) 		10 LEU A  49
VAL A  57
ALA A  70
VAL A 104
MET A 120
TYR A 122
VAL A 123
LEU A 173
THR A 183
PHE A 327
 NCA A 401
5ODC_A_ACTA703 5odc ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		HETERODISULFIDE
REDUCTASE, SUBUNIT A 		None
PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		4 GLN A 542
PRO G 548
ALA G 552
GLN A 553
 ACT A 703
5ODC_F_ACTF503 5odc ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		METHYL-VIOLOGEN
REDUCING HYDROGENASE
SUBUNIT A 		PF00374
(NiFeSe_Hases) 		4 ARG F 241
VAL F 249
ASP F 299
LYS F 319
 ACT F 503
5ODC_G_ACTG703 5odc ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		HETERODISULFIDE
REDUCTASE, SUBUNIT
A;
HETERODISULFIDE
REDUCTASE, SUBUNIT
B;
HETERODISULFIDE
REDUCTASE, SUBUNIT C 		None
PF02754
(CCG)
PF13183
(Fer4_8) 		4 ARG C  86
GLU B 168
ARG G 338
GLU G 340
 ACT G 703
5ODC_G_ACTG704 5odc ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		HETERODISULFIDE
REDUCTASE, SUBUNIT A 		None
PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		5 GLN G 542
LYS G 545
PRO A 548
ALA A 552
GLN G 553
 ACT G 704
5ODH_G_ACTG710 5odh ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		HETERODISULFIDE
REDUCTASE, SUBUNIT A 		None 4 ARG G 145
ILE G 170
TYR G 215
ILE G 317
 ACT G 710
5ODI_A_ACTA701 5odi ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		HETERODISULFIDE
REDUCTASE, SUBUNIT A 		PF07992
(Fer4_9)
PF13187
(Pyr_redox_2) 		3 LYS A 377
LYS A 417
SER A 418
 ACT A 701
5ODI_G_ACTG702 5odi ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		HETERODISULFIDE
REDUCTASE, SUBUNIT A 		None 3 GLY G 141
THR G 143
ASN G 229
 ACT G 702
5ODQ_A_ACTA702 5odq ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		HETERODISULFIDE
REDUCTASE, SUBUNIT A 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		5 LYS A 368
VAL A 369
LYS A 377
LYS A 417
SER A 418
 ACT A 702
5ODQ_A_ACTA703 5odq ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		HETERODISULFIDE
REDUCTASE, SUBUNIT A 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		6 ARG A  81
ARG A  82
ALA A  85
PRO A  91
PHE A 137
GLU A 571
 ACT A 703
5ODQ_G_ACTG703 5odq ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		HETERODISULFIDE
REDUCTASE, SUBUNIT A 		None 4 VAL G 369
LYS G 377
LYS G 417
SER G 418
 ACT G 703
5ODR_F_ACTF504 5odr ACT

DB03166
(Acetic
acid) 		Methanothermococc
us
thermolithotrophi
cus 		METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A;
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		4 ILE E 112
HIS F 381
LYS F 383
ASN F 394
 ACT F 504
5OS7_A_ACTA401 5os7 ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		4 ARG A  80
ARG A 155
LEU A 178
ASN A 189
 ACT A 401
5OS7_A_ACTA402 5os7 ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		3 HIS A 276
SER A 277
LYS A 279
 ACT A 402
5OS7_A_ACTA403 5os7 ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		4 ARG A 195
TYR A 196
HIS A 234
HIS A 236
 ACT A 403
5OS7_B_ACTB401 5os7 ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		None 5 ARG B  80
ARG B 155
LEU B 178
ASN B 189
VAL B 192
 ACT B 401
5OS8_A_ACTA402 5os8 ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		5 LYS A  77
ARG A  80
ARG A 155
LEU A 178
ASN A 189
 ACT A 402
5OSP_A_ACTA402 5osp ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		4 ARG A  80
ARG A 155
LEU A 178
ASN A 189
 ACT A 402
5OSP_A_ACTA403 5osp ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		7 TYR A  39
VAL A  67
ILE A  69
VAL A 101
ASP A 103
PRO A 104
ALA A 110
 ACT A 403
5OSR_A_ACTA401 5osr ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		5 LYS A  77
ARG A  80
ARG A 155
LEU A 178
ASN A 189
 ACT A 401
5OSR_A_ACTA402 5osr ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		7 TYR A  39
VAL A  67
ILE A  69
VAL A 101
ASP A 103
PRO A 104
ALA A 110
 ACT A 402
5OTR_A_ACTA401 5otr ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		5 LYS A  77
ARG A  80
ARG A 155
LEU A 178
ASN A 189
 ACT A 401
5OTR_A_ACTA402 5otr ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		5 TYR A  39
VAL A 101
ASP A 103
PRO A 104
ALA A 110
 ACT A 402
5SYO_C_C5EC301 5syo C5E

DB09028
(Cytisine) 		Aplysia
californica;
Homo sapiens 		SOLUBLE
ACETYLCHOLINE
RECEPTOR, NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-3 CHIMERA 		None 10 TRP B  55
TYR C  93
MET B 116
ILE B 118
TRP C 147
VAL C 148
TYR C 188
CYS C 190
CYS C 191
TYR C 195
 C5E C 301
5SYO_E_C5EE301 5syo C5E

DB09028
(Cytisine) 		Aplysia
californica;
Homo sapiens 		SOLUBLE
ACETYLCHOLINE
RECEPTOR, NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-3 CHIMERA 		None 10 TRP D  55
TYR E  93
MET D 116
ILE D 118
TRP E 147
VAL E 148
TYR E 188
CYS E 190
CYS E 191
TYR E 195
 C5E E 301
5UWC_G_EDTG407 5uwc EDT

DB00974
(Edetic
Acid) 		Homo sapiens INTERLEUKIN-3
RECEPTOR SUBUNIT
ALPHA 		PF09240
(IL6Ra-bind) 		5 TRP G 113
HIS G 115
SER G 121
LYS G 155
ARG G 166
 EDT G 407
5X2S_I_PEMI202 5x2s PEM

DB01393
(Bezafibrate) 		Homo sapiens HEMOGLOBIN SUBUNIT
ALPHA;
HEMOGLOBIN SUBUNIT
BETA 		no annotation 8 TRP J  37
PRO K  95
PRO I  95
LYS I  99
LYS K 127
THR I 134
THR I 137
TYR I 140
 PEM I 202
5X2T_I_PEMI202 5x2t PEM

DB01393
(Bezafibrate) 		Homo sapiens HEMOGLOBIN SUBUNIT
ALPHA;
HEMOGLOBIN SUBUNIT
BETA 		no annotation 8 TRP J  37
TRP L  37
PRO I  95
LYS K 127
ALA I 130
ALA K 130
THR I 134
THR I 137
 PEM I 202
5Y9M_A_NIOA401 5y9m NIO

DB00627
(Niacin) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA' 		no annotation 8 LEU A  46
VAL A  54
VAL A  67
LYS A  69
PHE A 114
MET A 164
ILE A 175
ASP A 176
 NIO A 401
5Y9M_X_NIOX401 5y9m NIO

DB00627
(Niacin) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA' 		no annotation 8 LEU X  46
VAL X  54
VAL X  67
LYS X  69
PHE X 114
MET X 164
ILE X 175
ASP X 176
 NIO X 401
5YF9_B_NIOB401 5yf9 NIO

DB00627
(Niacin) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA' 		no annotation 7 VAL B  54
VAL B  67
LYS B  69
PHE B 114
MET B 164
ILE B 175
ASP B 176
 NIO B 401
5YF9_X_NIOX401 5yf9 NIO

DB00627
(Niacin) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA' 		no annotation 9 LEU X  46
VAL X  54
VAL X  67
LYS X  69
ILE X  96
PHE X 114
MET X 164
ILE X 175
ASP X 176
 NIO X 401
5YWM_X_NIOX403 5ywm NIO

DB00627
(Niacin) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA' 		PF00069
(Pkinase) 		7 VAL X  54
VAL X  67
LYS X  69
ILE X  96
PHE X 114
ILE X 175
ASP X 176
 NIO X 403
6CNJ_A_NCTA402 6cnj NCT

DB00184
(Nicotine) 		Homo sapiens NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4;
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2 		no annotation 7 TRP B  57
TYR A 100
LEU B 121
TRP A 156
CYS A 199
CYS A 200
TYR A 204
 NCT A 402
6CNJ_D_NCTD402 6cnj NCT

DB00184
(Nicotine) 		Homo sapiens NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4;
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2 		no annotation 8 TRP E  57
TYR D 100
LEU E 121
TRP D 156
THR D 157
CYS D 199
CYS D 200
TYR D 204
 NCT D 402
6CNK_A_NCTA405 6cnk NCT

DB00184
(Nicotine) 		Homo sapiens NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4 		no annotation 6 TYR A 100
THR B 126
TRP A 156
THR A 157
CYS A 199
TYR A 204
 NCT A 405
6CNK_B_NCTB402 6cnk NCT

DB00184
(Nicotine) 		Homo sapiens NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4;
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2 		no annotation 7 TRP C  57
TYR B 100
LEU C 121
TRP B 156
CYS B 199
CYS B 200
TYR B 204
 NCT B 402
6CNK_D_NCTD401 6cnk NCT

DB00184
(Nicotine) 		Homo sapiens NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4;
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2 		no annotation 9 TRP E  57
TYR D 100
LEU E 121
TRP D 156
THR D 157
TYR D 197
CYS D 199
CYS D 200
TYR D 204
 NCT D 401
6D6T_D_FYPD406 6d6t FYP

DB01205
(Flumazenil) 		Homo sapiens GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1;
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2 		None 11 ASP E  56
TYR E  58
PHE E  77
ALA E  79
HIS D 102
THR E 142
TYR D 160
SER D 205
SER D 206
THR D 207
TYR D 210
 FYP D 406
6D6U_D_FYPD410 6d6u FYP

DB01205
(Flumazenil) 		Homo sapiens GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1;
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2 		None
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		9 ASP E  56
TYR E  58
ALA E  79
HIS D 102
THR E 142
TYR D 160
SER D 205
SER D 206
TYR D 210
 FYP D 410
6GMD_A_ACTA401 6gmd ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		PF00069
(Pkinase) 		5 ARG A  80
ARG A 155
LEU A 178
ASN A 189
VAL A 192
 ACT A 401
6GMD_B_ACTB401 6gmd ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		None 4 ARG B  80
ARG B 155
LEU B 178
ASN B 189
 ACT B 401
6GMD_B_ACTB402 6gmd ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		None 3 HIS B 276
SER B 277
LYS B 279
 ACT B 402
6GMD_B_ACTB403 6gmd ACT

DB03166
(Acetic
acid) 		Homo sapiens CASEIN KINASE II
SUBUNIT ALPHA 		None 4 ARG B 195
TYR B 196
HIS B 234
HIS B 236
 ACT B 403
6HUO_D_08HD501 6huo 08H

DB00404
(Alprazolam) 		Homo sapiens;
Homo sapiens;
Bos taurus 		GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1;
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2 		None
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		8 TYR C  58
ASN C  60
PHE C  77
PHE D 100
HIS D 102
VAL D 203
SER D 205
TYR D 210
 08H D 501
6HUP_B_DZPB502 6hup DZP

DB00829
(Diazepam) 		Homo sapiens;
Homo sapiens;
Bos taurus 		GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1;
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		11 ILE A 228
LEU A 232
PRO A 233
MET A 236
THR A 237
MET B 261
THR B 262
ASN B 265
LEU B 285
MET B 286
PHE B 289
 DZP B 502
6HUP_D_DZPD2001 6hup DZP

DB00829
(Diazepam) 		Homo sapiens;
Homo sapiens;
Bos taurus 		GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1;
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2 		None
PF02931
(Neur_chan_memb)
PF02932
(Neur_chan_LBD) 		9 TYR C  58
ASN C  60
PHE C  77
PHE D 100
HIS D 102
TYR D 160
VAL D 203
SER D 205
TYR D 210
 DZP D2001
6HUP_E_DZPE502 6hup DZP

DB00829
(Diazepam) 		Homo sapiens;
Homo sapiens;
Bos taurus 		GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1;
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3 		None 10 LEU D 232
PRO D 233
MET D 236
MET E 261
THR E 262
ASN E 265
LEU D 269
LEU E 285
MET E 286
PHE E 289
 DZP E 502
6HXI_B_ACTB706 6hxi ACT

DB03166
(Acetic
acid) 		Methanothrix
soehngenii 		SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA 		None 5 HIS B 415
VAL B 419
ARG B 501
PHE B 576
ARG B 580
 ACT B 706
6HXI_D_ACTD703 6hxi ACT

DB03166
(Acetic
acid) 		Methanothrix
soehngenii 		SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA 		None 5 HIS D 415
ARG D 501
ASP D 541
PHE D 576
ARG D 580
 ACT D 703
3JAF_A_IVMA503 3jaf IVM

DB00602
(Ivermectin) 		Danio rerio GLYCINE RECEPTOR
SUBUNIT ALPHAZ1 		PF02932
(Neur_chan_memb)
PF02931
(Neur_chan_LBD) 		13 LEU B 240
ILE B 241
ILE B 245
PRO B 246
LEU B 248
LEU B 249
ILE B 252
THR A 280
SER A 283
ARG A 287
VAL A 296
ALA A 304
LEU A 307
 IVM A 503
5VDH_A_IVMA403 5vdh IVM

DB00602
(Ivermectin) 		Homo sapiens GLYCINE RECEPTOR
SUBUNIT ALPHA-3 		PF02932
(Neur_chan_memb)
PF02931
(Neur_chan_LBD) 		12 LEU B 224
GLN B 226
ILE B 229
PRO B 230
LEU B 233
THR A 264
SER A 267
SER A 268
VAL A 280
ALA A 288
LEU A 291
LEU A 292
 IVM A 403
5VDI_A_IVMA403 5vdi IVM

DB00602
(Ivermectin) 		Homo sapiens GLYCINE RECEPTOR
SUBUNIT ALPHA-3 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		10 GLN B 226
ILE B 229
PRO B 230
LEU B 233
ILE B 236
THR A 264
SER A 267
VAL A 280
ALA A 288
LEU A 291
 IVM A 403