SIMILAR PATTERNS OF AMINO ACIDS FOR 2A68_C_RBTC8001

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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLN A 599
ASP A 683
ARG A 571
PRO A 520
ILE A 606
 None
 1.39A 2a68C-1s5jA:
0.0
2a68F-1s5jA:
0.4		 2a68C-1s5jA:
22.81
2a68F-1s5jA:
20.36
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.
1t5r LUKS-PV

(Staphylococcus
phage PVL) 		PF07968
(Leukocidin) 		5 GLN A  32
PHE A 226
SER A 209
ILE A 135
ASP A  34
 None
 1.38A 2a68C-1t5rA:
0.0
2a68F-1t5rA:
undetectable		 2a68C-1t5rA:
12.62
2a68F-1t5rA:
19.54
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 ARG A 200
PHE A 201
ARG A  92
PRO A  93
ASP A  23
 None
 1.42A 2a68C-2b3tA:
0.0
2a68F-2b3tA:
2.7		 2a68C-2b3tA:
13.60
2a68F-2b3tA:
24.00
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.
3i7f ASPARTYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLN A 375
PHE A 162
PRO A 527
ILE A 526
ASP A 230
 None
 1.17A 2a68C-3i7fA:
0.4
2a68F-3i7fA:
0.6		 2a68C-3i7fA:
20.23
2a68F-3i7fA:
22.47
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus) 		PF00346
(Complex1_49kDa)
PF12838
(Fer4_7) 		5 GLN 4 166
HIS 9  38
PRO 9  64
ILE 9  99
ASP 4  94
 None
None
None
SF4  9 183 (-4.3A)
None
 1.28A 2a68C-3i9v4:
0.4
2a68F-3i9v4:
1.5		 2a68C-3i9v4:
18.34
2a68F-3i9v4:
22.83
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 ASP A 151
ARG A 154
SER A 237
PRO A 155
ILE A 236
 None
 1.45A 2a68C-3r2uA:
0.0
2a68F-3r2uA:
0.0		 2a68C-3r2uA:
16.70
2a68F-3r2uA:
20.72
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.
4jkm BETA-GLUCURONIDASE

(Clostridium
perfringens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 GLN A 559
PHE A 165
ASP A 300
ARG A 574
ASP A  61
 None
 1.37A 2a68C-4jkmA:
0.0
2a68F-4jkmA:
0.0		 2a68C-4jkmA:
20.35
2a68F-4jkmA:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ARG B 166
GLN B 425
ASP B 428
HIS B 438
PRO B 472
 None
 0.69A 2a68C-4qiwB:
22.4
2a68F-4qiwB:
0.2		 2a68C-4qiwB:
31.05
2a68F-4qiwB:
18.02
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ARG A1607
GLN A1604
PHE A1592
SER A1133
PRO A1128
 None
 1.34A 2a68C-5a31A:
0.0
2a68F-5a31A:
0.2		 2a68C-5a31A:
21.79
2a68F-5a31A:
15.19
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.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 GLN X 327
GLN X 368
ASP X 297
ARG X 372
SER X 371
 None
 1.43A 2a68C-5evyX:
0.0
2a68F-5evyX:
0.0		 2a68C-5evyX:
18.33
2a68F-5evyX:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		8 ARG C 164
GLN C 426
GLN C 429
ASP C 432
HIS C 442
ARG C 445
SER C 447
PRO C 480
 None
 0.70A 2a68C-5tw1C:
39.0
2a68F-5tw1C:
1.3		 2a68C-5tw1C:
50.41
2a68F-5tw1C:
18.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		8 ARG C 164
GLN C 426
GLN C 429
ASP C 432
HIS C 442
SER C 447
PRO C 480
ILE C 488
 None
 0.83A 2a68C-5tw1C:
39.0
2a68F-5tw1C:
1.3		 2a68C-5tw1C:
50.41
2a68F-5tw1C:
18.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		6 GLN C 429
PHE C 430
ASP C 432
HIS C 442
ARG C 445
PRO C 480
 None
 0.92A 2a68C-5tw1C:
39.0
2a68F-5tw1C:
1.3		 2a68C-5tw1C:
50.41
2a68F-5tw1C:
18.80