SIMILAR PATTERNS OF AMINO ACIDS FOR 1M8D_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)
 0.32A 1m8dA-1lzxA:
56.9		 1m8dA-1lzxA:
62.73
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)
 1.33A 1m8dA-1lzxA:
56.9		 1m8dA-1lzxA:
62.73
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)
 0.40A 1m8dA-1m9qA:
55.6		 1m8dA-1m9qA:
61.32
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)
 0.16A 1m8dA-1qw5A:
62.1		 1m8dA-1qw5A:
100.00
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.
1sdd COAGULATION FACTOR V

(Bos taurus) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 PRO B1994
VAL B1996
TYR B1780
MET B1779
 None
 1.49A 1m8dA-1sddB:
0.0		 1m8dA-1sddB:
20.30
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
 1.33A 1m8dA-2atpA:
0.0		 1m8dA-2atpA:
12.47
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.
2vg2 UNDECAPRENYL
PYROPHOSPHATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF01255
(Prenyltransf) 		4 PRO A  68
VAL A 239
TYR A 286
GLU A 263
 None
 1.44A 1m8dA-2vg2A:
0.0		 1m8dA-2vg2A:
18.30
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.
3e35 UNCHARACTERIZED
PROTEIN SCO1997

(Streptomyces
coelicolor) 		PF09754
(PAC2) 		4 PRO A  77
VAL A  70
TYR A  89
GLU A  91
 None
 1.41A 1m8dA-3e35A:
0.0		 1m8dA-3e35A:
19.50
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)
 0.18A 1m8dA-3e7gA:
60.4		 1m8dA-3e7gA:
87.23
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 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)
 1.18A 1m8dA-3e7gA:
60.4		 1m8dA-3e7gA:
87.23
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.
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
 1.46A 1m8dA-3j9uC:
0.0		 1m8dA-3j9uC:
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.
3m4p ASPARAGINYL-TRNA
SYNTHETASE, PUTATIVE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 PRO A 175
VAL A 212
MET A 222
GLU A 172
 None
 1.45A 1m8dA-3m4pA:
undetectable		 1m8dA-3m4pA:
21.78
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 548
TYR A 467
MET A 466
 None
 1.25A 1m8dA-3m8lA:
undetectable		 1m8dA-3m8lA:
22.96
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
 1.45A 1m8dA-3md0A:
undetectable		 1m8dA-3md0A:
20.98
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 1m8dA-3nyoA:
undetectable		 1m8dA-3nyoA:
20.83
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		4 PRO A 218
VAL A 221
TYR A 263
GLU A 264
 None
SO4  A 288 (-4.2A)
None
None
 1.45A 1m8dA-3pzsA:
undetectable		 1m8dA-3pzsA:
19.45
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.
4b4d FERREDOXIN-NADP
REDUCTASE

(Xanthomonas
citri) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 PRO A 179
VAL A 148
TYR A 177
GLU A 158
 None
 1.18A 1m8dA-4b4dA:
undetectable		 1m8dA-4b4dA:
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.
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
 1.03A 1m8dA-4b6lA:
undetectable		 1m8dA-4b6lA:
23.08
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.
4evw NUCLEOSIDE-DIPHOSPHA
TE-SUGAR
PYROPHOSPHORYLASE

(Vibrio cholerae) 		no annotation 4 PRO A 124
VAL A 122
TYR A 133
GLU A 135
 None
 1.37A 1m8dA-4evwA:
undetectable		 1m8dA-4evwA:
20.14
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.
5hca CALRETICULIN,CALRETI
CULIN

(Entamoeba
histolytica) 		no annotation 4 PRO C 128
VAL C 130
TYR C 165
GLU C 157
 None
 1.04A 1m8dA-5hcaC:
undetectable		 1m8dA-5hcaC:
18.68
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 PRO A1550
VAL A1546
TYR A1584
GLU A1586
 None
 1.15A 1m8dA-5i6gA:
undetectable		 1m8dA-5i6gA:
16.75