SIMILAR PATTERNS OF AMINO ACIDS FOR 1M9J_A_CLWA906

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 PRO A 565
VAL A 567
TYR A 588
MET A 589
 HAR  A 770 ( 4.5A)
None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
 0.21A 1m9jA-1lzxA:
59.0		 1m9jA-1lzxA:
65.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 VAL A 567
TYR A 588
MET A 589
GLU A 592
 None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
HAR  A 770 ( 2.9A)
 1.32A 1m9jA-1lzxA:
59.0		 1m9jA-1lzxA:
65.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 PRO A 334
VAL A 336
TYR A 357
MET A 358
GLU A 361
 5NI  A 907 ( 4.8A)
5NI  A 907 (-4.4A)
5NI  A 907 (-4.6A)
HEM  A 901 ( 4.4A)
HEM  A 901 ( 3.1A)
 0.48A 1m9jA-1m9qA:
63.3		 1m9jA-1m9qA:
100.00
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 PRO A 344
VAL A 346
TYR A 367
MET A 368
 14W  A 902 ( 4.4A)
None
None
HEM  A 900 ( 4.5A)
 0.26A 1m9jA-1qw5A:
56.3		 1m9jA-1qw5A:
62.17
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.
2atp T-CELL SURFACE
GLYCOPROTEIN CD8
ALPHA CHAIN

(Mus musculus) 		PF07686
(V-set) 		4 PRO A   5
VAL A  32
TYR A 111
MET A 110
 None
 1.24A 1m9jA-2atpA:
0.0		 1m9jA-2atpA:
13.29
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.
2vg2 UNDECAPRENYL
PYROPHOSPHATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF01255
(Prenyltransf) 		4 PRO A  68
VAL A 239
TYR A 286
GLU A 263
 None
 1.36A 1m9jA-2vg2A:
0.0		 1m9jA-2vg2A:
22.95
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.
2x47 MACRO
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF01661
(Macro) 		4 PRO A 219
VAL A 120
TYR A 114
GLU A 111
 None
 1.33A 1m9jA-2x47A:
1.0		 1m9jA-2x47A:
19.33
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 PRO A 275
VAL A 272
TYR A 288
MET A 287
 None
 1.38A 1m9jA-3bn1A:
0.0		 1m9jA-3bn1A:
21.35
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 PRO A 198
TYR A 304
MET A 303
GLU A 294
 None
 1.41A 1m9jA-3cp8A:
0.7		 1m9jA-3cp8A:
21.23
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 PRO A 350
VAL A 352
TYR A 373
MET A 374
 AT2  A 906 (-4.5A)
AT2  A 906 ( 4.8A)
None
HEM  A 901 ( 4.6A)
 0.31A 1m9jA-3e7gA:
55.2		 1m9jA-3e7gA:
60.10
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 VAL A 352
TYR A 373
MET A 374
GLU A 377
 AT2  A 906 ( 4.8A)
None
HEM  A 901 ( 4.6A)
AT2  A 906 ( 2.7A)
 1.25A 1m9jA-3e7gA:
55.2		 1m9jA-3e7gA:
60.10
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 VAL A1677
TYR A1237
MET A1234
GLU A1233
 None
 1.42A 1m9jA-3hmjA:
undetectable		 1m9jA-3hmjA:
12.49
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 4 PRO C  91
VAL C 217
MET C  45
GLU C  59
 None
 1.34A 1m9jA-3j9uC:
undetectable		 1m9jA-3j9uC:
20.38
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.
3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE

(Desulfovibrio
vulgaris) 		PF00877
(NLPC_P60)
PF12912
(N_NLPC_P60)
PF12913
(SH3_6)
PF12914
(SH3_7) 		4 PRO A 264
VAL A 262
TYR A 231
MET A 228
 None
 1.28A 1m9jA-3m1uA:
undetectable		 1m9jA-3m1uA:
23.37
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.
3m8l CAPSID PROTEIN

(Feline
calicivirus) 		PF00915
(Calici_coat) 		4 PRO A 421
VAL A 547
TYR A 467
MET A 466
 None
 1.49A 1m9jA-3m8lA:
undetectable		 1m9jA-3m8lA:
21.84
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.
3md0 ARGININE/ORNITHINE
TRANSPORT SYSTEM
ATPASE

(Mycobacterium
tuberculosis) 		PF03308
(ArgK) 		4 PRO A 237
VAL A 201
TYR A 229
GLU A 196
 None
 1.35A 1m9jA-3md0A:
0.9		 1m9jA-3md0A:
21.95
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 PRO A 384
VAL A 401
TYR A 376
GLU A 406
 None
 1.41A 1m9jA-3nyoA:
undetectable		 1m9jA-3nyoA:
21.23
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 PRO B 339
VAL B 336
MET B 385
GLU B 381
 None
 1.01A 1m9jA-3ze7B:
undetectable		 1m9jA-3ze7B:
23.13
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.
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3

(Homo sapiens) 		PF00069
(Pkinase) 		4 PRO A 259
VAL A 275
TYR A 251
MET A 250
 None
 1.13A 1m9jA-4b6lA:
undetectable		 1m9jA-4b6lA:
21.56
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.
4b9x TUDOR
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00567
(TUDOR) 		4 VAL A 797
TYR A 724
MET A 717
GLU A 722
 None
 1.45A 1m9jA-4b9xA:
undetectable		 1m9jA-4b9xA:
20.71
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.
4evw NUCLEOSIDE-DIPHOSPHA
TE-SUGAR
PYROPHOSPHORYLASE

(Vibrio cholerae) 		no annotation 4 PRO A 124
VAL A 122
TYR A 133
GLU A 135
 None
 1.48A 1m9jA-4evwA:
undetectable		 1m9jA-4evwA:
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.
4wx6 PROTEASE

(Human
mastadenovirus
D) 		PF00770
(Peptidase_C5) 		4 PRO A 140
VAL A 134
TYR A  68
MET A  69
 None
 1.49A 1m9jA-4wx6A:
undetectable		 1m9jA-4wx6A:
21.24
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.
5b3h PROTEIN SCARECROW
PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		4 PRO A 322
VAL A 330
TYR B 176
GLU A 336
 None
 1.40A 1m9jA-5b3hA:
undetectable		 1m9jA-5b3hA:
20.45
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.
5hca CALRETICULIN,CALRETI
CULIN

(Entamoeba
histolytica) 		no annotation 4 PRO C 128
VAL C 130
TYR C 165
GLU C 157
 None
 1.02A 1m9jA-5hcaC:
undetectable		 1m9jA-5hcaC:
18.01
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.
5lt9 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTB

(Pseudomonas
aeruginosa) 		PF02743
(dCache_1) 		4 PRO A 127
TYR A 144
MET A 145
GLU A 146
 None
ARG  A 301 (-4.6A)
None
ARG  A 301 (-4.0A)
 1.12A 1m9jA-5lt9A:
undetectable		 1m9jA-5lt9A:
20.37