SIMILAR PATTERNS OF AMINO ACIDS FOR 1M9J_B_CLWB907_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
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)
 0.16A 1m9jB-1lzxA:
59.3		 1m9jB-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)
 1.30A 1m9jB-1lzxA:
59.3		 1m9jB-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)
 0.25A 1m9jB-1m9qA:
63.9		 1m9jB-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)
 0.18A 1m9jB-1qw5A:
56.5		 1m9jB-1qw5A:
62.17
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 VAL A 346
TYR A 367
MET A 368
GLU A 371
 None
None
HEM  A 900 ( 4.5A)
14W  A 902 ( 3.2A)
 1.25A 1m9jB-1qw5A:
56.5		 1m9jB-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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 PRO A 224
VAL A 211
TYR A 274
GLU A 272
 None
 1.42A 1m9jB-1w61A:
1.0		 1m9jB-1w61A:
18.57
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.
1y47 DUEFERRI (DF2)

(-) 		no annotation 4 VAL A  28
TYR A  17
MET A  14
GLU A  36
 None
None
None
CD  A  60 (-2.8A)
 1.42A 1m9jB-1y47A:
undetectable		 1m9jB-1y47A:
8.50
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		4 VAL A 160
TYR A 288
MET A 274
GLU A 275
 None
 1.44A 1m9jB-2anlA:
0.0		 1m9jB-2anlA:
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.
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
 1.23A 1m9jB-2atpA:
undetectable		 1m9jB-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
 1.40A 1m9jB-2vg2A:
0.0		 1m9jB-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.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		4 PRO A  46
VAL A  42
TYR A  70
GLU A  72
 None
 1.38A 1m9jB-2x24A:
0.0		 1m9jB-2x24A:
19.92
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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		4 PRO A 263
VAL A 366
TYR A 277
GLU A 280
 None
 1.44A 1m9jB-2zu8A:
0.6		 1m9jB-2zu8A:
21.83
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)
 0.24A 1m9jB-3e7gA:
55.3		 1m9jB-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)
 1.18A 1m9jB-3e7gA:
55.3		 1m9jB-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 1m9jB-3hmjA:
0.2		 1m9jB-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.
3it8 2L PROTEIN

(Tanapox virus) 		no annotation 4 PRO D 116
VAL D 110
TYR D 243
GLU D 247
 None
 1.49A 1m9jB-3it8D:
undetectable		 1m9jB-3it8D:
20.10
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.
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
 1.30A 1m9jB-3m1uA:
undetectable		 1m9jB-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.
3md0 ARGININE/ORNITHINE
TRANSPORT SYSTEM
ATPASE

(Mycobacterium
tuberculosis) 		PF03308
(ArgK) 		4 PRO A 237
VAL A 201
TYR A 229
GLU A 196
 None
 1.42A 1m9jB-3md0A:
undetectable		 1m9jB-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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 PRO A 190
VAL A 265
TYR A 779
GLU A 776
 None
 1.21A 1m9jB-3w9hA:
undetectable		 1m9jB-3w9hA:
17.36
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
 1.02A 1m9jB-3ze7B:
undetectable		 1m9jB-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.
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
 1.20A 1m9jB-4b4dA:
undetectable		 1m9jB-4b4dA:
21.36
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
 1.11A 1m9jB-4b6lA:
undetectable		 1m9jB-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
 1.48A 1m9jB-4b9xA:
undetectable		 1m9jB-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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		4 PRO A 200
VAL A 223
TYR A 193
GLU A 190
 None
 1.23A 1m9jB-4bptA:
undetectable		 1m9jB-4bptA:
21.90
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.
4dr0 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
subtilis) 		PF00268
(Ribonuc_red_sm) 		4 PRO A  75
VAL A  77
MET A  95
GLU A  97
 None
None
None
MN  A 401 ( 2.3A)
 1.38A 1m9jB-4dr0A:
undetectable		 1m9jB-4dr0A:
19.13
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.
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 1m9jB-4evwA:
undetectable		 1m9jB-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.
5hca CALRETICULIN,CALRETI
CULIN

(Entamoeba
histolytica) 		no annotation 4 PRO C 128
VAL C 130
TYR C 165
GLU C 157
 None
 1.06A 1m9jB-5hcaC:
0.3		 1m9jB-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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		4 PRO A 472
VAL A 474
TYR A 272
GLU A 276
 None
 1.21A 1m9jB-5i5dA:
0.0		 1m9jB-5i5dA:
20.10
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.
5ir2 CELLULASE

(Parabacteroides
johnsonii) 		PF03737
(RraA-like) 		4 VAL A  83
TYR A  97
MET A  95
GLU A  94
 None
 1.45A 1m9jB-5ir2A:
undetectable		 1m9jB-5ir2A:
19.35
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.
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)
 1.15A 1m9jB-5lt9A:
undetectable		 1m9jB-5lt9A:
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.
5mz6 SEPARASE

(Caenorhabditis
elegans) 		PF03568
(Peptidase_C50) 		4 PRO 11135
VAL 11137
TYR 1 902
GLU 1 718
 None
 1.41A 1m9jB-5mz61:
undetectable		 1m9jB-5mz61:
15.84
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.
6cnk IGG1 HEAVY CHAIN
IGG1 KAPPA LIGHT
CHAIN

(Mus musculus) 		no annotation 4 PRO G 102
VAL F  99
TYR G 100
GLU G  36
 None
 1.50A 1m9jB-6cnkG:
undetectable		 1m9jB-6cnkG:
11.41