SIMILAR PATTERNS OF AMINO ACIDS FOR 3EJ8_B_H4BB2902_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.
1a6t IGG1 FAB1-IA FAB
(HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TRP B  36
PHE B  59
MET B  80
ILE B  68
 None
 1.44A 3ej8A-1a6tB:
0.0
3ej8B-1a6tB:
undetectable		 3ej8A-1a6tB:
18.79
3ej8B-1a6tB:
18.79
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.
1hra RETINOIC ACID
RECEPTOR

(Homo sapiens) 		PF00105
(zf-C4) 		4 PHE A  31
MET A  73
ARG A  59
ILE A  36
 None
None
ZN  A  81 ( 4.9A)
None
 1.14A 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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 PHE A 154
ARG A 160
ILE A  85
TRP A  27
 SO4  A 400 (-4.6A)
None
SO4  A 400 ( 4.7A)
SO4  A 400 (-3.4A)
 1.33A 3ej8A-1nrkA:
0.0
3ej8B-1nrkA:
0.0		 3ej8A-1nrkA:
22.22
3ej8B-1nrkA:
22.22
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.
1qjs HEMOPEXIN

(Oryctolagus
cuniculus) 		PF00045
(Hemopexin) 		4 TRP A 145
PHE A 146
ILE A 136
TRP A 147
 None
 1.47A 3ej8A-1qjsA:
0.0
3ej8B-1qjsA:
0.0		 3ej8A-1qjsA:
19.38
3ej8B-1qjsA:
19.38
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)
 0.43A 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.
2f4o PEPTIDE N-GLYCANASE

(Mus musculus) 		PF01841
(Transglut_core) 		4 TRP A 233
PHE A 238
ARG A 302
ILE A 195
 None
 1.46A 3ej8A-2f4oA:
0.0
3ej8B-2f4oA:
0.0		 3ej8A-2f4oA:
21.61
3ej8B-2f4oA:
21.61
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 245
PHE A 240
ARG A 257
ILE A 248
 None
 1.13A 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.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 TRP A 229
PHE A 224
ARG A 241
ILE A 232
 None
 1.13A 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)
 0.35A 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 TRP A  35
MET A  34
ARG A  54
ILE A 182
 None
 1.27A 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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TRP A 298
PHE A 293
ARG A 310
ILE A 301
 None
None
SRT  A 543 (-3.8A)
None
 1.06A 3ej8A-3igoA:
undetectable
3ej8B-3igoA:
undetectable		 3ej8A-3igoA:
21.88
3ej8B-3igoA:
21.88
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 TRP B 187
MET B 410
ILE B 407
TRP B 406
 None
 1.29A 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 TRP A 282
TRP A  38
ARG A 297
ILE A   7
 None
 1.41A 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 TRP A 242
PHE A 237
ARG A 254
ILE A 245
 None
 1.14A 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.
4mmh HEPARINASE III
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 TRP A 364
PHE A 361
MET A 331
ILE A 299
 None
 1.49A 3ej8A-4mmhA:
undetectable
3ej8B-4mmhA:
undetectable		 3ej8A-4mmhA:
21.10
3ej8B-4mmhA:
21.10
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 PHE A 304
MET A 360
ARG A 269
ILE A 387
 None
 1.13A 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 TRP A 240
PHE A 246
ARG A 100
ILE A 112
 None
 1.39A 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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 TRP A2471
PHE A2357
ILE A2396
TRP A2459
 None
 1.30A 3ej8A-5b4xA:
undetectable
3ej8B-5b4xA:
undetectable		 3ej8A-5b4xA:
20.19
3ej8B-5b4xA:
20.19
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.
5eco GLUTATHIONE
S-TRANSFERASE U20

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 TRP B 163
PHE B 164
MET B  14
ILE B 158
 None
 1.11A 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 TRP A 286
TRP A 290
MET A 323
ILE A 320
 None
 1.12A 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.
5xyk PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		no annotation 4 PHE E  73
ARG E  72
ILE E  80
TRP E  65
 None
None
None
UDP  E 403 (-4.0A)
 1.42A 3ej8A-5xykE:
undetectable
3ej8B-5xykE:
undetectable		 3ej8A-5xykE:
11.62
3ej8B-5xykE:
11.62
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 4 TRP X 569
MET X 573
ILE X 603
TRP X 175
 None
 1.36A 3ej8A-6elqX:
undetectable
3ej8B-6elqX:
undetectable		 3ej8A-6elqX:
12.87
3ej8B-6elqX:
12.87