SIMILAR PATTERNS OF AMINO ACIDS FOR 4QE6_A_JN3A1001

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.
1ek2 EPOXIDE HYDROLASE

(Mus musculus) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 ALA A 109
MET A 105
ARG A 103
ILE A 101
ILE A 121
 None
 1.44A 4qe6A-1ek2A:
0.0		 4qe6A-1ek2A:
18.69
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.
1f07 COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanothermobacter
thermautotrophicus) 		PF00296
(Bac_luciferase) 		5 MET A 157
ALA A 152
SER A 165
ILE A 164
ILE A  92
 None
 1.14A 4qe6A-1f07A:
0.0		 4qe6A-1f07A:
22.63
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.
1h3d ATP-PHOSPHORIBOSYLTR
ANSFERASE

(Escherichia
coli) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 MET A 267
MET A 265
ALA A 264
SER A 288
ILE A 289
 None
 1.20A 4qe6A-1h3dA:
0.0		 4qe6A-1h3dA:
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.
1jk0 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SMALL CHAIN 2

(Saccharomyces
cerevisiae) 		PF00268
(Ribonuc_red_sm) 		5 ALA B 232
ARG B 235
ILE B  26
ILE B  45
TYR B 117
 None
 1.23A 4qe6A-1jk0B:
0.9		 4qe6A-1jk0B:
23.56
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN B

([Haemophilus]
ducreyi) 		PF03372
(Exo_endo_phos) 		5 HIS B 231
ARG B 232
SER B 272
ILE B 270
HIS B 160
 None
None
None
None
BR  B 523 (-4.5A)
 1.34A 4qe6A-1sr4B:
undetectable		 4qe6A-1sr4B:
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.
2r9l PUTATIVE DNA
LIGASE-LIKE PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 107
ARG A 244
SER A 242
ILE A 238
ILE A  44
 None
EDO  A 296 (-4.4A)
None
EDO  A 295 (-4.1A)
None
 1.23A 4qe6A-2r9lA:
0.0		 4qe6A-2r9lA:
21.59
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.
2ywg GTP-BINDING PROTEIN
LEPA

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		5 ALA A 299
ARG A 388
ILE A 373
ILE A 456
TYR A 374
 None
 1.44A 4qe6A-2ywgA:
0.0		 4qe6A-2ywgA:
16.67
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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 MET A  67
ALA A  38
ILE A 108
ILE A  81
TYR A  50
 None
 1.41A 4qe6A-3f6rA:
undetectable		 4qe6A-3f6rA:
24.73
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		5 ALA A 369
SER A 377
ILE A 378
TYR A 177
TYR A 210
 None
 1.19A 4qe6A-3ht4A:
0.0		 4qe6A-3ht4A:
18.31
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.
3rf2 30S RIBOSOMAL
PROTEIN S8

(Aquifex
aeolicus) 		PF00410
(Ribosomal_S8) 		5 MET A  10
ALA A  13
ILE A  94
ILE A  46
TYR A 100
 None
 1.38A 4qe6A-3rf2A:
0.0		 4qe6A-3rf2A:
22.88
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.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ALA A 203
MET A 241
ARG A 253
ILE A 265
ILE A 257
 None
 1.21A 4qe6A-3tiaA:
undetectable		 4qe6A-3tiaA:
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A2752
HIS A2753
ILE A2756
ILE A2678
HIS A2631
 None
 1.20A 4qe6A-4z37A:
0.0		 4qe6A-4z37A:
16.51
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.
4zgf UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF16139
(DUF4847) 		5 MET A  57
ALA A  56
HIS A  59
ARG A  70
ILE A  76
 None
 1.18A 4qe6A-4zgfA:
undetectable		 4qe6A-4zgfA:
19.18
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.
5ns8 -

(-) 		no annotation 5 MET A 148
ALA A 149
ARG A 155
ILE A 103
TYR A 285
 None
 1.14A 4qe6A-5ns8A:
undetectable		 4qe6A-5ns8A:
undetectable
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.
5uz5 PROTEIN LUC7
U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
COMPONENT PRP42

(Saccharomyces
cerevisiae) 		no annotation 5 MET H  71
SER D  21
ILE H  44
TYR H  48
HIS H  76
 None
 1.27A 4qe6A-5uz5H:
undetectable		 4qe6A-5uz5H:
24.00
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 ARG A 109
ILE A 136
TYR A 117
TYR A 151
HIS A 115
 None
 1.44A 4qe6A-5xmjA:
undetectable		 4qe6A-5xmjA:
15.95
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 5 ALA A 406
HIS A 408
ILE A  89
TYR A 379
TYR A  99
 None
 1.37A 4qe6A-6c93A:
undetectable		 4qe6A-6c93A:
18.90