SIMILAR PATTERNS OF AMINO ACIDS FOR 5MTH_B_ACTB302_0

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.
1cij PROTEIN (HALOALKANE
DEHALOGENASE)

(Xanthobacter
autotrophicus) 		PF00561
(Abhydrolase_1) 		4 GLU A 293
TYR A 206
TYR A  63
ARG A  64
 None
 1.33A 5mthA-1cijA:
undetectable
5mthB-1cijA:
undetectable		 5mthA-1cijA:
18.93
5mthB-1cijA:
22.51
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLU A 165
TYR A 236
TYR A 158
ARG A 164
 None
 1.44A 5mthA-1llaA:
3.8
5mthB-1llaA:
2.9		 5mthA-1llaA:
16.89
5mthB-1llaA:
14.86
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.
1zor ISOCITRATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00180
(Iso_dh) 		4 GLU A  17
TYR A 310
TYR A  86
ARG A  82
 None
 1.44A 5mthA-1zorA:
0.0
5mthB-1zorA:
0.0		 5mthA-1zorA:
18.32
5mthB-1zorA:
18.87
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 GLU A  89
TYR A1012
TYR A1116
ARG A1124
 None
 1.36A 5mthA-2boaA:
0.0
5mthB-2boaA:
0.0		 5mthA-2boaA:
19.95
5mthB-2boaA:
18.81
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 TYR A 282
TYR A 308
TYR A 248
ARG A 203
 None
 1.30A 5mthA-3h09A:
1.4
5mthB-3h09A:
0.6		 5mthA-3h09A:
13.32
5mthB-3h09A:
13.20
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.
3ipo PUTATIVE THIOSULFATE
SULFURTRANSFERASE
YNJE

(Escherichia
coli) 		PF00581
(Rhodanese) 		4 GLU A 318
TYR A 326
TYR A 384
ARG A 390
 None
 1.23A 5mthA-3ipoA:
undetectable
5mthB-3ipoA:
0.0		 5mthA-3ipoA:
21.32
5mthB-3ipoA:
19.15
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLU A 162
TYR A 233
TYR A 155
ARG A 161
 None
 1.40A 5mthA-3ixwA:
3.4
5mthB-3ixwA:
2.9		 5mthA-3ixwA:
16.69
5mthB-3ixwA:
15.72
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.
3nqp SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLU A 143
TYR A 140
TYR A 221
TYR A 214
 None
None
EDO  A1007 (-4.3A)
None
 1.15A 5mthA-3nqpA:
0.0
5mthB-3nqpA:
0.0		 5mthA-3nqpA:
18.25
5mthB-3nqpA:
19.17
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		4 GLU A  16
TYR A 312
TYR A  85
ARG A  81
 None
None
None
NAP  A1403 (-3.8A)
 1.41A 5mthA-4aovA:
0.4
5mthB-4aovA:
0.0		 5mthA-4aovA:
19.25
5mthB-4aovA:
20.94
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.
4hyj RHODOPSIN

(Exiguobacterium
sibiricum) 		PF01036
(Bac_rhodopsin) 		4 GLU A 130
TYR A 198
TYR A  83
ARG A  82
 None
RET  A 301 (-4.3A)
None
None
 1.49A 5mthA-4hyjA:
undetectable
5mthB-4hyjA:
undetectable		 5mthA-4hyjA:
23.05
5mthB-4hyjA:
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.
4mru SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		4 GLU A  70
TYR A  66
TYR A 345
ARG A 143
 None
 1.28A 5mthA-4mruA:
undetectable
5mthB-4mruA:
undetectable		 5mthA-4mruA:
18.80
5mthB-4mruA:
19.91
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.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		4 GLU A 282
TYR A 195
TYR A  62
ARG A  63
 None
 1.32A 5mthA-5esrA:
undetectable
5mthB-5esrA:
undetectable		 5mthA-5esrA:
22.19
5mthB-5esrA:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 GLU A2126
TYR A2177
TYR A2074
ARG A2103
 None
 1.34A 5mthA-5m59A:
4.0
5mthB-5m59A:
4.2		 5mthA-5m59A:
8.82
5mthB-5m59A:
8.66
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.
5mus L PROTEIN

(California
reptarenavirus) 		no annotation 4 GLU A1792
TYR A1776
TYR A1787
ARG A1784
 None
 1.34A 5mthA-5musA:
undetectable
5mthB-5musA:
undetectable		 5mthA-5musA:
21.57
5mthB-5musA:
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.
5o8f GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-3,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT
ALPHA-5,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-5

(Homo sapiens) 		no annotation 4 GLU A  52
TYR A 143
TYR A 228
ARG A 216
 None
 1.36A 5mthA-5o8fA:
1.6
5mthB-5o8fA:
2.5		 5mthA-5o8fA:
21.94
5mthB-5o8fA:
20.78
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 4 GLU A 394
TYR A 402
TYR A 376
ARG A 387
 None
 1.14A 5mthA-5ta1A:
2.6
5mthB-5ta1A:
2.6		 5mthA-5ta1A:
15.45
5mthB-5ta1A:
14.88
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 GLU A  52
TYR A 143
TYR E 292
ARG A 216
 None
 1.30A 5mthA-6d6uA:
1.6
5mthB-6d6uA:
1.2		 5mthA-6d6uA:
undetectable
5mthB-6d6uA:
undetectable