SIMILAR PATTERNS OF AMINO ACIDS FOR 3EJ8_A_H4BA1902

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.
1hra RETINOIC ACID
RECEPTOR

(Homo sapiens) 		PF00105
(zf-C4) 		4 MET A  73
ARG A  59
ILE A  36
PHE A  31
 None
ZN  A  81 ( 4.9A)
None
None
 1.13A 3ej8A-1hraA:
undetectable
3ej8B-1hraA:
undetectable		 3ej8A-1hraA:
9.50
3ej8B-1hraA:
9.50
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.
1kp0 CREATINE
AMIDINOHYDROLASE

(Actinobacillus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 MET A 215
ARG A  90
ILE A 205
PHE A 254
 None
 1.39A 3ej8A-1kp0A:
0.0
3ej8B-1kp0A:
0.0		 3ej8A-1kp0A:
20.31
3ej8B-1kp0A:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		4 MET A 114
ARG A 375
ILE A 456
TRP A 457
 H4B  A 901 (-4.0A)
H4B  A 901 (-3.4A)
H4B  A 901 (-4.7A)
H4B  A 901 ( 3.7A)
 0.33A 3ej8A-1qw5A:
60.4
3ej8B-1qw5A:
60.6		 3ej8A-1qw5A:
87.14
3ej8B-1qw5A:
87.14
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 257
ILE A 248
TRP A 245
PHE A 240
 None
 1.16A 3ej8A-2jc6A:
0.0
3ej8B-2jc6A:
0.0		 3ej8A-2jc6A:
20.59
3ej8B-2jc6A:
20.59
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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		4 ARG A  37
ILE A  83
TRP A  90
PHE A  93
 None
 1.45A 3ej8A-2o2xA:
0.0
3ej8B-2o2xA:
0.0		 3ej8A-2o2xA:
21.20
3ej8B-2o2xA:
21.20
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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 ARG A 420
ILE A 433
TRP A 337
PHE A 436
 None
 1.26A 3ej8A-2yeqA:
0.0
3ej8B-2yeqA:
0.0		 3ej8A-2yeqA:
24.82
3ej8B-2yeqA:
24.82
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.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 ARG A 241
ILE A 232
TRP A 229
PHE A 224
 None
 1.14A 3ej8A-3dfaA:
0.0
3ej8B-3dfaA:
0.0		 3ej8A-3dfaA:
21.56
3ej8B-3dfaA:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 MET A 120
ARG A 381
ILE A 462
TRP A 463
 H4B  A 902 (-3.8A)
H4B  A 902 (-3.9A)
H4B  A 902 (-4.9A)
H4B  A 902 ( 3.6A)
 0.30A 3ej8A-3e7gA:
61.3
3ej8B-3e7gA:
61.4		 3ej8A-3e7gA:
99.53
3ej8B-3e7gA:
99.53
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.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 MET A  34
ARG A  54
ILE A 182
TRP A  35
 None
 1.21A 3ej8A-3heaA:
0.0
3ej8B-3heaA:
0.0		 3ej8A-3heaA:
19.49
3ej8B-3heaA:
19.49
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 4 MET K 958
ILE K 924
TRP K 954
PHE K 972
 None
 1.32A 3ej8A-3jblK:
0.0
3ej8B-3jblK:
0.0		 3ej8A-3jblK:
19.62
3ej8B-3jblK:
19.62
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 MET B 410
ILE B 407
TRP B 406
TRP B 187
 None
 1.28A 3ej8A-3n2zB:
0.4
3ej8B-3n2zB:
undetectable		 3ej8A-3n2zB:
21.97
3ej8B-3n2zB:
21.97
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.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 ARG A 297
ILE A   7
TRP A 282
TRP A  38
 None
 1.40A 3ej8A-4ee9A:
undetectable
3ej8B-4ee9A:
undetectable		 3ej8A-4ee9A:
22.35
3ej8B-4ee9A:
22.35
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 254
ILE A 245
TRP A 242
PHE A 237
 None
 1.17A 3ej8A-4fg8A:
undetectable
3ej8B-4fg8A:
undetectable		 3ej8A-4fg8A:
20.37
3ej8B-4fg8A:
20.37
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.
4nnz PROBABLE ZINC
PROTEASE

(Pseudomonas
aeruginosa) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 MET A 360
ARG A 269
ILE A 387
PHE A 304
 None
 1.06A 3ej8A-4nnzA:
undetectable
3ej8B-4nnzA:
undetectable		 3ej8A-4nnzA:
23.28
3ej8B-4nnzA:
23.28
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.
5a0n PROTEIN F2 LIKE
FIBRONECTIN-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 ARG A 100
ILE A 112
TRP A 240
PHE A 246
 None
 1.47A 3ej8A-5a0nA:
undetectable
3ej8B-5a0nA:
undetectable		 3ej8A-5a0nA:
17.32
3ej8B-5a0nA:
17.32
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.
5eco GLUTATHIONE
S-TRANSFERASE U20

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 MET B  14
ILE B 158
TRP B 163
PHE B 164
 None
 1.14A 3ej8A-5ecoB:
undetectable
3ej8B-5ecoB:
undetectable		 3ej8A-5ecoB:
17.56
3ej8B-5ecoB:
17.56
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		4 MET A 323
ILE A 320
TRP A 286
TRP A 290
 None
 1.11A 3ej8A-5mswA:
undetectable
3ej8B-5mswA:
undetectable		 3ej8A-5mswA:
15.38
3ej8B-5mswA:
15.38
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 4 MET X 573
ILE X 603
TRP X 175
TRP X 569
 None
 1.49A 3ej8A-6elqX:
undetectable
3ej8B-6elqX:
undetectable		 3ej8A-6elqX:
12.87
3ej8B-6elqX:
12.87