SIMILAR PATTERNS OF AMINO ACIDS FOR 3KD5_E_PPFE914_1

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.
1y1x LEISHMANIA MAJOR
HOMOLOG OF
PROGRAMMED CELL
DEATH 6 PROTEIN

(Leishmania
major) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		4 ASP A 107
LEU A 110
ARG A 143
ASP A 103
 None
 1.44A 3kd5E-1y1xA:
0.3		 3kd5E-1y1xA:
12.26
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.
2pyj DNA POLYMERASE

(Bacillus virus
phi29) 		PF03175
(DNA_pol_B_2) 		4 ASP A 249
LEU A 253
LYS A 383
ASP A 458
 MG  A9004 (-2.3A)
None
DGT  A1588 ( 2.7A)
MG  A9004 (-2.5A)
 0.62A 3kd5E-2pyjA:
9.9		 3kd5E-2pyjA:
23.19
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 608
LEU A 612
ARG A 674
LYS A 701
ASP A 764
 CA  A   3 ( 2.3A)
DCP  A 986 (-4.6A)
DCP  A 986 (-2.9A)
DCP  A 986 (-2.7A)
CA  A   2 (-2.8A)
 0.81A 3kd5E-3iayA:
23.3		 3kd5E-3iayA:
24.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 411
LEU A 415
ARG A 482
LYS A 560
ASP A 623
 CA  A 897 (-2.4A)
TTP  A 896 (-4.3A)
TTP  A 896 (-2.9A)
TTP  A 896 (-2.8A)
CA  A 897 (-2.9A)
 0.67A 3kd5E-3sunA:
49.1		 3kd5E-3sunA:
98.77
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.
3zo9 TREHALOSE
SYNTHASE/AMYLASE
TRES

(Mycolicibacterium
smegmatis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASP A 128
LEU A 344
ARG A 339
ASP A 230
 None
None
CL  A1587 (-4.5A)
None
 1.34A 3kd5E-3zo9A:
0.8		 3kd5E-3zo9A:
20.70
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ASP A 640
ARG A 781
LYS A 824
ASP A 877
 CA  A1203 (-2.6A)
DCP  A1201 (-2.8A)
DCP  A1201 (-2.7A)
DCP  A1201 (-2.7A)
 0.49A 3kd5E-4ptfA:
20.8		 3kd5E-4ptfA:
22.61
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.
5c5v ACIDOCALCISOMAL
PYROPHOSPHATASE

(Trypanosoma
brucei) 		PF00719
(Pyrophosphatase) 		4 ASP A 291
ARG A 259
LYS A 237
ASP A 328
 MG  A 503 ( 2.7A)
2PN  A 501 ( 2.9A)
2PN  A 501 (-2.7A)
MG  A 503 (-2.3A)
 1.36A 3kd5E-5c5vA:
0.0		 3kd5E-5c5vA:
18.08
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.
5guf CDP-ARCHAEOL
SYNTHASE

(Aeropyrum
pernix) 		no annotation 4 ASP A 100
LEU A 121
ARG A 108
ASP A 125
 CTP  A 201 ( 3.4A)
None
CTP  A 201 (-2.9A)
K  A 205 ( 3.8A)
 1.50A 3kd5E-5gufA:
1.5		 3kd5E-5gufA:
11.16
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 ASP A 115
LEU A 331
ARG A 326
ASP A 217
 None
 1.32A 3kd5E-5h2tA:
0.2		 3kd5E-5h2tA:
20.23
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 ASP A 115
LEU A 331
ARG A 412
ASP A 217
 None
 1.47A 3kd5E-5h2tA:
0.2		 3kd5E-5h2tA:
20.23
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.
5oqr CONDENSIN COMPLEX
SUBUNIT 2
CONDENSIN COMPLEX
SUBUNIT 3

(Schizosaccharomyces
pombe) 		no annotation 4 ASP A 701
LEU A 705
LYS C 512
ASP A 702
 None
 1.40A 3kd5E-5oqrA:
2.2		 3kd5E-5oqrA:
21.84