SIMILAR PATTERNS OF AMINO ACIDS FOR 2J9D_A_ACTA1116

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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.
1qrh ECO RI ENDONCULEASE

(Escherichia
coli) 		PF02963
(EcoRI) 		5 GLU A  96
ILE A  94
LYS A  62
GLU A  65
ILE A  61
 None
 1.12A 2j9dA-1qrhA:
0.5
2j9dB-1qrhA:
0.3
2j9dC-1qrhA:
0.0		 2j9dA-1qrhA:
19.84
2j9dB-1qrhA:
19.84
2j9dC-1qrhA:
19.84
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.
1qrh ECO RI ENDONCULEASE

(Escherichia
coli) 		PF02963
(EcoRI) 		5 GLU A  96
ILE A  94
LYS A  62
GLU A  65
ILE A  61
 None
 1.12A 2j9dA-1qrhA:
0.5
2j9dB-1qrhA:
0.3
2j9dC-1qrhA:
0.0		 2j9dA-1qrhA:
19.84
2j9dB-1qrhA:
19.84
2j9dC-1qrhA:
19.84
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.
1qrh ECO RI ENDONCULEASE

(Escherichia
coli) 		PF02963
(EcoRI) 		5 LYS A  62
GLU A  65
ILE A  61
GLU A  96
ILE A  94
 None
 1.10A 2j9dA-1qrhA:
0.5
2j9dB-1qrhA:
0.3
2j9dC-1qrhA:
0.0		 2j9dA-1qrhA:
19.84
2j9dB-1qrhA:
19.84
2j9dC-1qrhA:
19.84
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 GLU A 172
ILE A 141
LYS A 455
GLU A 459
ILE A 456
 None
 0.68A 2j9dA-2ahwA:
0.0
2j9dB-2ahwA:
0.0
2j9dC-2ahwA:
0.0		 2j9dA-2ahwA:
13.94
2j9dB-2ahwA:
13.94
2j9dC-2ahwA:
13.94
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 GLU A 172
ILE A 141
LYS A 455
GLU A 459
ILE A 456
 None
 0.75A 2j9dA-2ahwA:
0.0
2j9dB-2ahwA:
0.0
2j9dC-2ahwA:
0.0		 2j9dA-2ahwA:
13.94
2j9dB-2ahwA:
13.94
2j9dC-2ahwA:
13.94
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 LYS A 455
GLU A 459
ILE A 456
GLU A 172
ILE A 141
 None
 0.74A 2j9dA-2ahwA:
0.0
2j9dB-2ahwA:
0.0
2j9dC-2ahwA:
0.0		 2j9dA-2ahwA:
13.94
2j9dB-2ahwA:
13.94
2j9dC-2ahwA:
13.94
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.
2j4x MITOGEN

(Streptococcus
dysgalactiae) 		PF02876
(Stap_Strp_tox_C) 		5 GLU A 191
ILE A 193
ILE A 139
LYS A 177
ILE A 169
 None
 1.22A 2j9dA-2j4xA:
0.0
2j9dB-2j4xA:
undetectable
2j9dC-2j4xA:
0.0		 2j9dA-2j4xA:
19.90
2j9dB-2j4xA:
19.90
2j9dC-2j4xA:
19.90
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.
2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 ILE A 426
LYS A 410
GLU A 407
ILE A 406
ILE A 424
 None
 1.28A 2j9dA-2xdfA:
0.0
2j9dB-2xdfA:
0.0
2j9dC-2xdfA:
0.0		 2j9dA-2xdfA:
12.76
2j9dB-2xdfA:
12.76
2j9dC-2xdfA:
12.76
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLU A 237
LYS A 598
GLU A 595
GLU A 398
ILE A 229
 None
 1.24A 2j9dA-2xvgA:
0.0
2j9dB-2xvgA:
0.0
2j9dC-2xvgA:
0.0		 2j9dA-2xvgA:
9.19
2j9dB-2xvgA:
9.19
2j9dC-2xvgA:
9.19
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLU A 398
ILE A 229
GLU A 237
LYS A 598
GLU A 595
 None
 1.30A 2j9dA-2xvgA:
0.0
2j9dB-2xvgA:
0.0
2j9dC-2xvgA:
0.0		 2j9dA-2xvgA:
9.19
2j9dB-2xvgA:
9.19
2j9dC-2xvgA:
9.19
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 LYS A 598
GLU A 595
GLU A 398
ILE A 229
GLU A 237
 None
 1.29A 2j9dA-2xvgA:
0.0
2j9dB-2xvgA:
0.0
2j9dC-2xvgA:
0.0		 2j9dA-2xvgA:
9.19
2j9dB-2xvgA:
9.19
2j9dC-2xvgA:
9.19
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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 GLU A  10
ILE A  14
GLU A 229
ILE A 228
ILE A 231
 None
 1.11A 2j9dA-3b05A:
0.0
2j9dB-3b05A:
0.0
2j9dC-3b05A:
0.0		 2j9dA-3b05A:
13.51
2j9dB-3b05A:
13.51
2j9dC-3b05A:
13.51
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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 GLU A 229
ILE A 228
ILE A 231
GLU A  10
ILE A  14
 None
 1.09A 2j9dA-3b05A:
0.0
2j9dB-3b05A:
0.0
2j9dC-3b05A:
0.0		 2j9dA-3b05A:
13.51
2j9dB-3b05A:
13.51
2j9dC-3b05A:
13.51
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.
3cf0 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Mus musculus) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 GLU A 546
ILE A 542
ILE A 540
GLU A 561
ILE A 562
 None
 1.29A 2j9dA-3cf0A:
0.0
2j9dB-3cf0A:
0.2
2j9dC-3cf0A:
0.0		 2j9dA-3cf0A:
21.63
2j9dB-3cf0A:
21.63
2j9dC-3cf0A:
21.63
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 GLU A  94
ILE A  90
ILE A  75
LYS A 112
ILE A 100
 None
 1.42A 2j9dA-3kl7A:
0.2
2j9dB-3kl7A:
0.0
2j9dC-3kl7A:
0.0		 2j9dA-3kl7A:
19.47
2j9dB-3kl7A:
19.47
2j9dC-3kl7A:
19.47
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 ILE A  75
LYS A 112
ILE A 100
GLU A  94
ILE A  90
 None
 1.34A 2j9dA-3kl7A:
0.2
2j9dB-3kl7A:
0.0
2j9dC-3kl7A:
0.0		 2j9dA-3kl7A:
19.47
2j9dB-3kl7A:
19.47
2j9dC-3kl7A:
19.47
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 LYS A 112
ILE A 100
GLU A  94
ILE A  90
ILE A  75
 None
 1.35A 2j9dA-3kl7A:
0.2
2j9dB-3kl7A:
0.0
2j9dC-3kl7A:
0.0		 2j9dA-3kl7A:
19.47
2j9dB-3kl7A:
19.47
2j9dC-3kl7A:
19.47
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.
3q6d PROLINE DIPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 LYS A 236
GLU A 239
ILE A 240
ILE A 321
ILE A 319
 None
 1.16A 2j9dA-3q6dA:
0.9
2j9dB-3q6dA:
0.0
2j9dC-3q6dA:
0.0		 2j9dA-3q6dA:
20.07
2j9dB-3q6dA:
20.07
2j9dC-3q6dA:
20.07
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ILE A   6
LYS A  39
GLU A  92
ILE A  94
ILE A  35
 MTX  A2001 (-4.0A)
None
None
None
None
 1.41A 2j9dA-3tq9A:
undetectable
2j9dB-3tq9A:
undetectable
2j9dC-3tq9A:
undetectable		 2j9dA-3tq9A:
20.79
2j9dB-3tq9A:
20.79
2j9dC-3tq9A:
20.79
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ILE A  35
ILE A   6
LYS A  39
GLU A  92
ILE A  94
 None
MTX  A2001 (-4.0A)
None
None
None
 1.50A 2j9dA-3tq9A:
undetectable
2j9dB-3tq9A:
undetectable
2j9dC-3tq9A:
undetectable		 2j9dA-3tq9A:
20.79
2j9dB-3tq9A:
20.79
2j9dC-3tq9A:
20.79
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 LYS A  39
GLU A  92
ILE A  94
ILE A  35
ILE A   6
 None
None
None
None
MTX  A2001 (-4.0A)
 1.39A 2j9dA-3tq9A:
undetectable
2j9dB-3tq9A:
undetectable
2j9dC-3tq9A:
undetectable		 2j9dA-3tq9A:
20.79
2j9dB-3tq9A:
20.79
2j9dC-3tq9A:
20.79
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		5 GLU A  50
ILE A  49
GLU A  88
GLU A  20
ILE A  79
 None
None
None
None
NDP  A 502 (-3.9A)
 1.27A 2j9dA-4hcxA:
undetectable
2j9dB-4hcxA:
undetectable
2j9dC-4hcxA:
0.1		 2j9dA-4hcxA:
15.93
2j9dB-4hcxA:
15.93
2j9dC-4hcxA:
15.93
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		5 GLU A  88
GLU A  20
ILE A  79
GLU A  50
ILE A  49
 None
None
NDP  A 502 (-3.9A)
None
None
 1.29A 2j9dA-4hcxA:
undetectable
2j9dB-4hcxA:
undetectable
2j9dC-4hcxA:
0.1		 2j9dA-4hcxA:
15.93
2j9dB-4hcxA:
15.93
2j9dC-4hcxA:
15.93
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.
4ler PUTATIVE OUTER
MEMBRANE PROTEIN,
PROBABLY INVOLVED IN
NUTRIENT BINDING

(Bacteroides
vulgatus) 		PF12771
(SusD-like_2) 		5 ILE A 416
ILE A 413
LYS A 420
GLU A 436
ILE A 417
 None
 1.18A 2j9dA-4lerA:
undetectable
2j9dB-4lerA:
undetectable
2j9dC-4lerA:
undetectable		 2j9dA-4lerA:
13.19
2j9dB-4lerA:
13.19
2j9dC-4lerA:
13.19
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.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 GLU A 209
ILE A 212
ILE A 259
GLU A 261
ILE A 173
 None
 1.02A 2j9dA-5cm5A:
undetectable
2j9dB-5cm5A:
undetectable
2j9dC-5cm5A:
undetectable		 2j9dA-5cm5A:
18.82
2j9dB-5cm5A:
18.82
2j9dC-5cm5A:
18.82
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.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 GLU A 261
ILE A 173
GLU A 209
ILE A 212
ILE A 259
 None
 0.98A 2j9dA-5cm5A:
undetectable
2j9dB-5cm5A:
undetectable
2j9dC-5cm5A:
undetectable		 2j9dA-5cm5A:
18.82
2j9dB-5cm5A:
18.82
2j9dC-5cm5A:
18.82
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.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 ILE A 259
GLU A 261
ILE A 173
GLU A 209
ILE A 212
 None
 1.02A 2j9dA-5cm5A:
undetectable
2j9dB-5cm5A:
undetectable
2j9dC-5cm5A:
undetectable		 2j9dA-5cm5A:
18.82
2j9dB-5cm5A:
18.82
2j9dC-5cm5A:
18.82
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 GLU A 319
ILE A 318
ILE A 344
GLU A 411
ILE A 415
 None
 1.18A 2j9dA-5kkgA:
undetectable
2j9dB-5kkgA:
undetectable
2j9dC-5kkgA:
undetectable		 2j9dA-5kkgA:
14.98
2j9dB-5kkgA:
14.98
2j9dC-5kkgA:
14.98
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 GLU A 631
GLU A 649
ILE A 651
GLU A 662
ILE A 661
 None
 1.24A 2j9dA-5opqA:
0.0
2j9dB-5opqA:
undetectable
2j9dC-5opqA:
undetectable		 2j9dA-5opqA:
undetectable
2j9dB-5opqA:
undetectable
2j9dC-5opqA:
undetectable
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 GLU A 649
ILE A 651
GLU A 662
ILE A 661
GLU A 631
 None
 1.25A 2j9dA-5opqA:
0.0
2j9dB-5opqA:
undetectable
2j9dC-5opqA:
undetectable		 2j9dA-5opqA:
undetectable
2j9dB-5opqA:
undetectable
2j9dC-5opqA:
undetectable
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 GLU A 662
ILE A 661
GLU A 631
GLU A 649
ILE A 651
 None
 1.26A 2j9dA-5opqA:
0.0
2j9dB-5opqA:
undetectable
2j9dC-5opqA:
undetectable		 2j9dA-5opqA:
undetectable
2j9dB-5opqA:
undetectable
2j9dC-5opqA:
undetectable
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLU A1167
GLU A1153
LYS A1237
GLU A1198
ILE A1239
 None
 1.37A 2j9dA-5xogA:
4.1
2j9dB-5xogA:
4.1
2j9dC-5xogA:
3.4		 2j9dA-5xogA:
6.28
2j9dB-5xogA:
6.28
2j9dC-5xogA:
6.28
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LYS A1237
GLU A1198
ILE A1239
GLU A1167
GLU A1153
 None
 1.34A 2j9dA-5xogA:
4.1
2j9dB-5xogA:
4.1
2j9dC-5xogA:
3.4		 2j9dA-5xogA:
6.28
2j9dB-5xogA:
6.28
2j9dC-5xogA:
6.28