DRUG BINDING INTERFACES MAPPED TO 'synthetic construct'

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
2JFA_A_RALA600 2jfa RAL

DB00481
(Raloxifene) 		Homo sapiens;
synthetic
construct 		COREPRESSOR PEPTIDE;
ESTROGEN RECEPTOR 		PF00104
(Hormone_recep)
no annotation 		19 ASP P   1
LEU P   5
MET A 343
LEU A 346
THR A 347
ALA A 350
ASP A 351
GLU A 353
LEU A 354
TRP A 383
LEU A 387
MET A 388
LEU A 391
ARG A 394
MET A 421
ILE A 424
LEU A 428
HIS A 524
LEU A 525
 RAL A 600
2JFA_B_RALB600 2jfa RAL

DB00481
(Raloxifene) 		Homo sapiens;
synthetic
construct 		COREPRESSOR PEPTIDE;
ESTROGEN RECEPTOR 		PF00104
(Hormone_recep)
no annotation 		17 LEU Q   5
MET B 343
LEU B 346
THR B 347
ALA B 350
ASP B 351
GLU B 353
LEU B 354
TRP B 383
LEU B 387
LEU B 391
ARG B 394
MET B 421
ILE B 424
GLY B 521
HIS B 524
LEU B 525
 RAL B 600
2Q6F_C_010C6 2q6f 010

DB06770
(Benzyl
alcohol) 		Avian
coronavirus;
synthetic
construct 		INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE;
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE 		None 3 ASN B  25
LEU B  27
HIS B  41
 010 C   6
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
2XKK_E_MFXE1100 2xkk MFX

DB00218
(Moxifloxacin) 		Acinetobacter
baumannii;
synthetic
construct 		DNA;
TOPOISOMERASE IV 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
no annotation 		3 GLU C 437
SER C1084
ARG A1123
 MFX E1100
3IWM_G_010G6 3iwm 010

DB06770
(Benzyl
alcohol) 		Severe acute
respiratory
syndrome-related
coronavirus;
synthetic
construct 		3C-LIKE PROTEINASE;
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE 		None 4 THR C  25
LEU C  27
MET C  49
ASN C 142
 010 G   6
4CSV_A_STIA1265 4csv STI

DB00619
(Imatinib) 		synthetic
construct 		SRC-ABL TYROSINE
KINASE ANCESTOR 		PF07714
(Pkinase_Tyr) 		16 VAL A  22
ALA A  35
LYS A  37
GLU A  52
ILE A  55
MET A  56
VAL A  65
ILE A  79
THR A  81
TYR A  83
MET A  84
PHE A 125
LEU A 136
ALA A 146
ASP A 147
PHE A 148
 STI A1265
4Y1D_D_DVAD5 4y1d DVA

DB00161
(L-
Valine) 		Human
immunodeficiency
virus 1;
synthetic
construct 		CYCLIC HEXAPEPTIDE
CYC[NDPOPPKID];
INTEGRASE 		None
PF00665
(rve) 		3 LYS D   1
ASN D   4
GLU A 170
 DVA D   5
5AOX_C_ACTC1001 5aox ACT

DB03166
(Acetic
acid) 		Homo sapiens;
synthetic
construct 		ALU JO CONSENSUS
RNA;
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN 		None
PF02290
(SRP14) 		3 TYR B  27
THR B  29
THR B  61
 ACT C1001
5AOX_F_ACTF1001 5aox ACT

DB03166
(Acetic
acid) 		Homo sapiens;
synthetic
construct 		ALU JO CONSENSUS
RNA;
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN 		None 3 TYR E  27
THR E  29
THR E  61
 ACT F1001
5B2O_B_ACTB120 5b2o ACT

DB03166
(Acetic
acid) 		Francisella
tularensis;
synthetic
construct 		CRISPR-ASSOCIATED
ENDONUCLEASE CAS9;
GUIDE RNA 		None 4 ASN A1248
SER A1368
ARG A1370
PRO A1444
 ACT B 120
5B2P_B_ACTB120 5b2p ACT

DB03166
(Acetic
acid) 		Francisella
tularensis;
synthetic
construct 		CRISPR-ASSOCIATED
ENDONUCLEASE CAS9;
GUIDE RNA 		None 4 ASN A1248
SER A1368
ARG A1370
PRO A1444
 ACT B 120
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
5DZK_1_BEZ1801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1;
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 3 ILE M  71
PHE F 147
LEU 1 802
 BEZ 1 801
5DZK_2_BEZ2801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1;
BEZ-LEU-LEU 		None 4 ILE N  71
ARG M 119
ILE N 146
LEU 2 802
 BEZ 2 801
5DZK_3_BEZ3801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1;
BEZ-LEU-LEU 		None 4 ILE m  71
GLY m 127
ILE m 146
LEU 3 802
 BEZ 3 801
5DZK_4_BEZ4801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1;
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 5 ILE n  71
ARG m 119
ILE n 146
PHE g 147
LEU 4 802
 BEZ 4 801
5DZK_O_BEZO801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None
PF00574
(CLP_protease) 		6 PHE a  83
SER a 110
HIS a 135
PRO a 137
MET a 164
LEU o 802
 BEZ o 801
5DZK_P_BEZP801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 6 PHE B  83
SER B 110
ALA B 111
HIS B 135
MET B 164
LEU P 802
 BEZ P 801
5DZK_Q_BEZQ801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 5 SER c 110
ALA c 111
HIS c 135
MET c 164
LEU q 802
 BEZ q 801
5DZK_R_BEZR801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 8 PHE d  83
SER d 110
ALA d 111
HIS d 135
PRO d 137
MET d 164
LEU r 802
LEU r 803
 BEZ r 801
5DZK_S_BEZS801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 6 PHE e  83
SER e 110
HIS e 135
MET e 164
LEU s 802
LEU s 803
 BEZ s 801
5DZK_T_BEZT801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 8 PHE F  83
SER F 110
ALA F 111
HIS F 135
PRO F 137
MET F 164
LEU T 802
LEU T 803
 BEZ T 801
5DZK_U_BEZU801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 6 PHE g  83
SER g 110
ALA g 111
HIS g 135
MET g 164
LEU u 802
 BEZ u 801
5DZK_V_BEZV801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1;
BEZ-LEU-LEU 		None
PF00574
(CLP_protease) 		4 ILE h  71
ARG n 119
ILE h 146
LEU v 802
 BEZ v 801
5DZK_W_BEZW801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1;
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 5 ILE I  71
GLY I 127
ILE I 146
PHE B 147
LEU W 802
 BEZ W 801
5DZK_X_BEZX801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1;
BEZ-LEU-LEU 		None 5 ILE j  71
ARG i 119
GLY j 127
ILE j 146
LEU x 802
 BEZ x 801
5DZK_Y_BEZY801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1;
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2;
BEZ-LEU-LEU 		None 5 ILE k  71
GLY k 127
ILE k 146
PHE d 147
LEU y 802
 BEZ y 801
5DZK_Z_BEZZ801 5dzk BEZ

DB03793
(Benzoic
Acid) 		Mycobacterium
tuberculosis;
synthetic
construct 		ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1;
BEZ-LEU-LEU 		None 4 ILE l  71
GLY l 127
ILE l 146
LEU z 802
 BEZ z 801
5EU8_B_010B6 5eu8 010

DB06770
(Benzyl
alcohol) 		Alphacoronavirus
1;
synthetic
construct 		N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE;
MAIN PROTEASE 		None
PF05409
(Peptidase_C30) 		5 ASN A  25
LEU A  27
HIS A  41
THR A  47
CYS A 144
 010 B   6
5GWK_D_EVPD102 5gwk EVP

DB00773
(Etoposide) 		Homo sapiens;
synthetic
construct 		DNA TOPOISOMERASE
2-ALPHA 		no annotation 4 GLY B 462
ASP B 463
ARG B 487
MET B 766
 EVP D 102
5GWK_F_EVPF102 5gwk EVP

DB00773
(Etoposide) 		Homo sapiens;
synthetic
construct 		DNA TOPOISOMERASE
2-ALPHA 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C)
no annotation 		5 GLY A 462
ASP A 463
ARG A 487
MET A 762
MET A 766
 EVP F 102
5GWY_E_010E6 5gwy 010

DB06770
(Benzyl
alcohol) 		Human coronavirus
NL63;
synthetic
construct 		N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE;
MAIN PROTEASE 		None
PF05409
(Peptidase_C30) 		4 THR A  25
LEU A  27
HIS A  41
GLY A 142
 010 E   6
5GWZ_D_010D6 5gwz 010

DB06770
(Benzyl
alcohol) 		Porcine epidemic
diarrhea virus;
synthetic
construct 		N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE;
PEDV MAIN PROTEASE 		None 3 MET B  25
HIS B  41
GLY B 142
 010 D   6
5I1N_F_DVAF9 5i1n DVA

DB00161
(L-
Valine) 		Gallus gallus;
synthetic
construct 		D-VILLIN HEADPIECE
SUBDOMAIN;
VILLIN-1 		None 3 ALA C  16
ASN C  19
LEU C  20
 DVA F   9
5I1N_G_DVAG9 5i1n DVA

DB00161
(L-
Valine) 		Gallus gallus;
synthetic
construct 		D-VILLIN HEADPIECE
SUBDOMAIN;
VILLIN-1 		None 3 ALA B  16
ASN B  19
LEU B  20
 DVA G   9
5I1O_F_DVAF9 5i1o DVA

DB00161
(L-
Valine) 		Gallus gallus;
synthetic
construct 		D-VILLIN HEADPIECE
SUBDOMAIN;
VILLIN-1 		None 3 ALA C  16
ASN C  19
LEU C  20
 DVA F   9
5I1O_H_DVAH9 5i1o DVA

DB00161
(L-
Valine) 		Gallus gallus;
synthetic
construct 		D-VILLIN HEADPIECE
SUBDOMAIN;
VILLIN-1 		None
PF02209
(VHP) 		3 ALA A  16
ASN A  19
LEU A  20
 DVA H   9
5I1P_F_DVAF9 5i1p DVA

DB00161
(L-
Valine) 		Gallus gallus;
synthetic
construct 		D-VILLIN HEADPIECE
SUBDOMAIN;
VILLIN-1 		None
PF02209
(VHP) 		3 ALA A  16
ASN A  19
LEU A  20
 DVA F   9
5I1P_G_DVAG9 5i1p DVA

DB00161
(L-
Valine) 		Gallus gallus;
synthetic
construct 		D-VILLIN HEADPIECE
SUBDOMAIN;
VILLIN-1 		None 3 ALA D  16
ASN D  19
LEU D  20
 DVA G   9
5ICX_E_SC2E1 5icx SC2

DB06151
(Acetylcysteine) 		Homo sapiens;
Mus musculus;
synthetic
construct 		CETUXIMAB FAB LIGHT
CHAIN;
MEDITOPE 		PF07654
(C1-set)
PF07686
(V-set)
no annotation 		3 GLN E   2
VAL A   9
CYS E  12
 SC2 E   1
5ICX_F_SC2F1 5icx SC2

DB06151
(Acetylcysteine) 		Homo sapiens;
Mus musculus;
synthetic
construct 		CETUXIMAB FAB LIGHT
CHAIN;
MEDITOPE 		no annotation 3 GLN F   2
VAL C   9
CYS F  12
 SC2 F   1
5IEN_A_VDYA201 5ien VDY

DB00146
(Calcidiol) 		synthetic
construct 		CDL2.2 PF14534
(DUF4440) 		24 LEU A  12
PHE A  15
TYR A  31
ILE A  37
PRO A  39
MET A  42
LEU A  54
TRP A  55
LEU A  58
MET A  61
VAL A  63
LEU A  68
ILE A  86
LEU A  88
GLY A  90
PRO A  91
ILE A 100
TYR A 104
GLU A 106
LEU A 118
THR A 121
ALA A 123
LEU A 125
GLU A 131
 VDY A 201
5IEN_B_VDYB201 5ien VDY

DB00146
(Calcidiol) 		synthetic
construct 		CDL2.2 no annotation 22 LEU B  12
PHE B  15
TYR B  31
ILE B  37
PRO B  39
MET B  42
LEU B  54
TRP B  55
LEU B  58
MET B  61
VAL B  63
LEU B  68
ILE B  86
LEU B  88
PRO B  91
ILE B 100
TYR B 104
GLU B 106
LEU B 118
THR B 121
ALA B 123
LEU B 125
 VDY B 201
5IEO_A_VDYA206 5ieo VDY

DB00146
(Calcidiol) 		synthetic
construct 		CDL2.3A PF14534
(DUF4440) 		20 LEU A  12
PHE A  15
TYR A  31
ILE A  37
PRO A  39
MET A  42
LEU A  54
TRP A  55
LEU A  58
MET A  61
PHE A  68
PHE A  86
LEU A  88
ILE A 100
TYR A 104
GLU A 106
LEU A 118
THR A 121
ALA A 123
LEU A 125
 VDY A 206
5IEP_A_VDYA201 5iep VDY

DB00146
(Calcidiol) 		synthetic
construct 		CDL2.3B PF14534
(DUF4440) 		21 LEU A  12
PHE A  15
TYR A  31
ILE A  37
PRO A  39
MET A  42
LEU A  54
TRP A  55
LEU A  58
MET A  61
VAL A  63
PHE A  68
PHE A  86
LEU A  88
ILE A 100
TYR A 104
GLU A 106
LEU A 118
THR A 121
ALA A 123
LEU A 125
 VDY A 201
5INZ_D_DVAD15 5inz DVA

DB00161
(L-
Valine) 		Papio anubis;
synthetic
construct 		THETA DEFENSIN-2,
D-PEPTIDE;
THETA DEFENSIN-2,
L-PEPTIDE 		None 3 GLY B   1
CYS B   3
CYS B  16
 DVA D  15
5INZ_D_DVAD2 5inz DVA

DB00161
(L-
Valine) 		Papio anubis;
synthetic
construct 		THETA DEFENSIN-2,
D-PEPTIDE;
THETA DEFENSIN-2,
L-PEPTIDE 		None 4 GLY D   1
GLY A  10
CYS A  12
ARG C  18
 DVA D   2
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
5LAK_I_BEZI1 5lak BEZ

DB03793
(Benzoic
Acid) 		Alphamesonivirus
1;
synthetic
construct 		3CL PROTEASE;
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR 		None
PF17222
(Peptidase_C107) 		3 TYR I   2
TYR I   3
SER A 172
 BEZ I   1
5LAK_J_BEZJ1 5lak BEZ

DB03793
(Benzoic
Acid) 		Alphamesonivirus
1;
synthetic
construct 		3CL PROTEASE;
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR 		None 3 TYR J   2
TYR J   3
SER C 172
 BEZ J   1
5N8J_E_DVAE7 5n8j DVA

DB00161
(L-
Valine) 		Streptomyces
avidinii;
synthetic
construct 		GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY;
STREPTAVIDIN 		None 3 TYR B  43
SER B  45
TRP B  79
 DVA E   7
5N8J_O_DVAO7 5n8j DVA

DB00161
(L-
Valine) 		Streptomyces
avidinii;
synthetic
construct 		GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY;
STREPTAVIDIN 		None
PF01382
(Avidin) 		3 TYR A  43
SER A  45
TRP A  79
 DVA O   7
5N8J_P_DVAP5 5n8j DVA

DB00161
(L-
Valine) 		Streptomyces
avidinii;
synthetic
construct 		GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY;
STREPTAVIDIN 		None 3 TYR D  43
SER D  45
TRP D  79
 DVA P   5
5O45_B_CCSB13 5o45 CCS

DB04339
(Carbocisteine) 		Homo sapiens;
synthetic
construct 		PHE-MEA-9KK-SAR-ASP-
VAL-MEA-TYR-SAR-TRP-
TYR-LEU-CCS-GLY-NH2;
PROGRAMMED CELL
DEATH 1 LIGAND 1 		None
PF07686
(V-set) 		9 PHE B   1
TYR B  11
LEU B  12
GLY B  14
TYR A  56
GLU A  58
ASP A  61
ASN A  63
VAL A  76
 CCS B  13
5O4Y_A_CCSA14 5o4y CCS

DB04339
(Carbocisteine) 		synthetic
construct 		PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2 		None 6 PHE A   1
ASN A   3
LEU A   6
TRP A   8
ARG A  13
GLY A  15
 CCS A  14
5O4Y_D_CCSD14 5o4y CCS

DB04339
(Carbocisteine) 		Homo sapiens;
synthetic
construct 		PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2;
PROGRAMMED CELL
DEATH 1 LIGAND 1 		None 12 PHE D   1
LEU D   6
TRP D   8
SER D   9
ARG D  13
GLY D  15
GLU E  60
GLY E 110
VAL E 111
ARG E 125
THR E 127
LYS E 129
 CCS D  14
5O4Y_F_CCSF14 5o4y CCS

DB04339
(Carbocisteine) 		synthetic
construct 		PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2 		None 6 PHE F   1
LEU F   6
TRP F   8
SER F   9
ARG F  13
GLY F  15
 CCS F  14
5ZMQ_I_PACI1 5zmq PAC

DB09269
(Phenylacetic
acid) 		Zika virus;
synthetic
construct 		SERINE PROTEASE NS3;
SERINE PROTEASE
SUBUNIT NS2B;
PEPTIDE
PAC-DLY-DLY-DAR 		None 3 GLU E  66
VAL D 155
TYR D 161
 PAC I   1
5ZMQ_K_PACK1 5zmq PAC

DB09269
(Phenylacetic
acid) 		Zika virus;
synthetic
construct 		SERINE PROTEASE NS3;
PEPTIDE
PAC-DLY-DLY-DAR 		None 3 ALA H 132
VAL H 155
TYR H 161
 PAC K   1
6ECE_C_DVAC3010 6ece DVA

DB00161
(L-
Valine) 		Streptomyces
tsusimaensis;
synthetic
construct 		VLM2;
DODECADEPSIPEPTIDE 		None
PF00975
(Thioesterase) 		3 ALA A2501
PHE A2513
GLN A2568
 DVA C3010
6ECF_I_DVAI3010 6ecf DVA

DB00161
(L-
Valine) 		Streptomyces
tsusimaensis;
synthetic
construct 		VLM2;
DODECADEPSIPEPTIDE 		None 3 PHE B2513
ARG B2545
ALA B2626
 DVA I3010