SIMILAR PATTERNS OF AMINO ACIDS FOR 3NHX_A_ASDA126

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.
1ey2 HOMOGENTISATE
1,2-DIOXYGENASE

(Homo sapiens) 		PF04209
(HgmA) 		5 TYR A 199
PHE A 357
SER A 363
ALA A 397
PHE A 318
 None
 1.37A 3nhxA-1ey2A:
undetectable		 3nhxA-1ey2A:
13.22
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.
1ggp PROTEIN (LECTIN 1 A
CHAIN)

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 SER A  94
PHE A  99
VAL A  66
ASN A 111
ALA A  74
 None
 1.45A 3nhxA-1ggpA:
0.0		 3nhxA-1ggpA:
22.18
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.
1h2h HYPOTHETICAL PROTEIN
TM1643

(Thermotoga
maritima) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		5 PHE A  92
SER A  65
PHE A  43
VAL A  45
ALA A 101
 None
 1.34A 3nhxA-1h2hA:
0.0		 3nhxA-1h2hA:
21.16
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		5 TYR A 234
LEU A 259
SER A  22
PHE A 286
VAL A 280
 NAI  A 301 (-4.4A)
NAI  A 301 (-3.8A)
None
None
None
 1.49A 3nhxA-1o9bA:
0.0		 3nhxA-1o9bA:
19.44
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.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus) 		PF02073
(Peptidase_M29) 		5 LEU A 169
PHE A 338
PHE A  39
VAL A 145
ALA A 176
 None
 1.29A 3nhxA-2ayiA:
0.0		 3nhxA-2ayiA:
14.81
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		5 TYR B 194
LEU B 184
SER B 209
VAL B 138
PHE B 125
 None
 1.24A 3nhxA-2f9yB:
0.0		 3nhxA-2f9yB:
17.97
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.
2hcf HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Chlorobaculum
tepidum) 		PF13419
(HAD_2) 		5 LEU A 146
PHE A 119
PHE A  44
VAL A  56
ALA A  74
 None
 1.44A 3nhxA-2hcfA:
0.0		 3nhxA-2hcfA:
22.55
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.
2otb GFP-LIKE FLUORESCENT
CHROMOPROTEIN CFP484

(Clavularia sp.) 		PF01353
(GFP) 		5 LEU A 165
SER A  57
PHE A 177
VAL A 105
ASN A  63
 None
None
None
None
PIA  A  66 ( 4.5A)
 1.21A 3nhxA-2otbA:
0.0		 3nhxA-2otbA:
22.12
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.
3cpx AMINOPEPTIDASE, M42
FAMILY

(Cytophaga
hutchinsonii) 		PF05343
(Peptidase_M42) 		5 TYR A  27
LEU A   3
PHE A 168
VAL A 292
ALA A 158
 None
 1.49A 3nhxA-3cpxA:
0.0		 3nhxA-3cpxA:
17.89
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.
3hbx GLUTAMATE
DECARBOXYLASE 1

(Arabidopsis
thaliana) 		PF00282
(Pyridoxal_deC) 		5 LEU A 316
PHE A 170
PHE A 314
VAL A 288
ALA A 136
 None
 1.17A 3nhxA-3hbxA:
undetectable		 3nhxA-3hbxA:
12.88
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 LEU A 193
PHE A 170
PHE A 114
VAL A 377
ALA A 712
 None
 1.44A 3nhxA-3j08A:
undetectable		 3nhxA-3j08A:
11.09
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.
3na6 SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Ruegeria sp.
TM1040) 		PF04952
(AstE_AspA) 		5 LEU A  84
PHE A 235
VAL A 141
ALA A  67
PHE A 143
 None
 1.42A 3nhxA-3na6A:
undetectable		 3nhxA-3na6A:
19.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t8u STEROID
DELTA-ISOMERASE

(Comamonas
testosteroni) 		PF12680
(SnoaL_2) 		10 LEU A  18
ASP A  38
PHE A  54
SER A  58
PHE A  82
PHE A  86
VAL A  95
MET A 112
ALA A 114
PHE A 116
 None
 0.48A 3nhxA-3t8uA:
24.6		 3nhxA-3t8uA:
97.60
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.
3vxm C1-28 TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU E  11
ASP E 220
PHE E 213
VAL E 119
ASN E  17
 None
 1.40A 3nhxA-3vxmE:
undetectable		 3nhxA-3vxmE:
18.52
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.
3wtv RUNT-RELATED
TRANSCRIPTION FACTOR
1

(Mus musculus) 		PF00853
(Runt) 		5 LEU A  85
SER A  73
PHE A 131
VAL A 105
ALA A 165
 None
 1.44A 3nhxA-3wtvA:
undetectable		 3nhxA-3wtvA:
20.67
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.
3wtv RUNT-RELATED
TRANSCRIPTION FACTOR
1

(Mus musculus) 		PF00853
(Runt) 		5 LEU A  85
SER A  73
PHE A 136
VAL A 105
ALA A 165
 None
 1.35A 3nhxA-3wtvA:
undetectable		 3nhxA-3wtvA:
20.67
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.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		5 TYR A 228
SER A 153
PHE A 253
VAL A 337
ASN A 158
 None
 1.28A 3nhxA-4dqvA:
undetectable		 3nhxA-4dqvA:
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.
4kvs ALDEHYDE
DECARBONYLASE

(Prochlorococcus
marinus) 		PF11266
(Ald_deCOase) 		5 TYR A  30
LEU A 204
VAL A  41
ALA A 146
PHE A  80
 None
None
6NA  A 301 ( 4.2A)
None
None
 1.29A 3nhxA-4kvsA:
undetectable		 3nhxA-4kvsA:
22.41
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.
4rc6 ALDEHYDE
DECARBONYLASE

(Synechococcus
elongatus) 		PF11266
(Ald_deCOase) 		5 TYR B  17
LEU B 191
VAL B  28
ALA B 133
PHE B  67
 None
 1.39A 3nhxA-4rc6B:
undetectable		 3nhxA-4rc6B:
19.53
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.
4tvs TORSIN-1A-INTERACTIN
G PROTEIN 1

(Homo sapiens) 		PF05609
(LAP1C) 		5 TYR A 433
LEU A 398
SER A 400
PHE A 436
ASN A 474
 None
 1.35A 3nhxA-4tvsA:
undetectable		 3nhxA-4tvsA:
22.61
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 5 ASP B 181
PHE B  78
PHE B 386
ASN B 246
ALA B 219
 None
 1.16A 3nhxA-4w5uB:
undetectable		 3nhxA-4w5uB:
15.82
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.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 TYR A 196
LEU A  70
SER A  98
VAL A 205
PHE A 232
 None
 1.27A 3nhxA-5cbkA:
undetectable		 3nhxA-5cbkA:
20.51
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.
5e0c CELLULASE

(Bacillus sp.
BG-CS10) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 TYR A 524
PHE A 482
VAL A 458
ALA A 451
PHE A 453
 None
 1.34A 3nhxA-5e0cA:
undetectable		 3nhxA-5e0cA:
12.66
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		5 TYR A1048
LEU A1098
PHE A1106
ALA A1071
PHE A1083
 None
 1.44A 3nhxA-5ffjA:
undetectable		 3nhxA-5ffjA:
6.33
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.
5flj QUERCETINASE QUED

(Streptomyces
sp. FLA) 		PF07883
(Cupin_2) 		5 PHE A  78
PHE A 176
VAL A 174
ALA A 130
PHE A 137
 QUE  A 301 (-3.9A)
QUE  A 301 (-4.4A)
None
QUE  A 301 ( 4.6A)
QUE  A 301 ( 4.9A)
 1.39A 3nhxA-5fljA:
undetectable		 3nhxA-5fljA:
23.04
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 LEU A 438
SER A 496
VAL A 487
ASN A 477
PHE A 503
 None
 1.46A 3nhxA-5gqfA:
undetectable		 3nhxA-5gqfA:
11.78
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.
5iob BETA-GLUCOSIDASE-REL
ATED GLYCOSIDASES

(Corynebacterium
glutamicum) 		PF00933
(Glyco_hydro_3) 		5 TYR A 372
LEU A 341
SER A  75
VAL A 315
ALA A 379
 None
 1.35A 3nhxA-5iobA:
undetectable		 3nhxA-5iobA:
20.72
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.
5m2s PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		no annotation 5 LEU A  97
PHE A  11
VAL A  94
ALA A  66
PHE A  77
 None
 1.50A 3nhxA-5m2sA:
undetectable		 3nhxA-5m2sA:
24.03
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.
5n29 CTP SYNTHASE

(Trypanosoma
brucei) 		PF00117
(GATase) 		5 TYR A 487
SER A 565
PHE A 548
VAL A 418
ALA A 534
 None
None
None
8JB  A 419 ( 3.0A)
None
 1.46A 3nhxA-5n29A:
undetectable		 3nhxA-5n29A:
18.38
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.
5w95 CONSERVED MEMBRANE
PROTEIN OF
UNCHARACTERISED
FUNCTION

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 287
PHE A 130
PHE A 278
VAL A 235
ALA A 228
 None
1PE  A 402 (-3.5A)
None
None
1PE  A 401 ( 4.0A)
 1.27A 3nhxA-5w95A:
undetectable		 3nhxA-5w95A:
18.70
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.
5x6o SERINE/THREONINE-PRO
TEIN KINASE MEC1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU C 615
PHE C 577
PHE C 595
VAL C 573
ASN C 626
 None
 1.47A 3nhxA-5x6oC:
undetectable		 3nhxA-5x6oC:
22.48
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 LEU A 293
VAL A 266
MET A 127
ALA A 275
PHE A 262
 None
 1.43A 3nhxA-6bzcA:
undetectable		 3nhxA-6bzcA:
17.46