SIMILAR PATTERNS OF AMINO ACIDS FOR 2PIW_A_T3A933_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
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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 352
PHE A 350
GLY A 380
PHE A 181
ARG A  44
 None
 1.47A 2piwA-1bqgA:
undetectable		 2piwA-1bqgA:
19.47
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.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		5 ILE A 713
GLY A 820
ASN A 524
GLU A 530
ARG A 668
 None
None
None
None
ZN  A 320 ( 4.2A)
 1.35A 2piwA-1kspA:
0.0		 2piwA-1kspA:
17.65
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		5 ILE A 308
GLY A  36
TYR A 316
GLU A 431
ARG A 453
 None
 1.43A 2piwA-1qafA:
0.0		 2piwA-1qafA:
15.83
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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 133
GLY A 108
ASN A  69
PHE A  65
TYR A 224
 None
None
None
None
15P  A1000 (-4.9A)
 1.21A 2piwA-1u0mA:
undetectable		 2piwA-1u0mA:
21.18
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.
1vp4 AMINOTRANSFERASE,
PUTATIVE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		5 ILE A 212
PHE A 211
GLY A 261
ASN A  99
GLU A 264
 None
None
FMT  A 622 (-3.5A)
None
None
 1.27A 2piwA-1vp4A:
undetectable		 2piwA-1vp4A:
17.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A 672
PHE A 673
ASN A 727
GLU A 829
TYR A 834
 None
 1.10A 2piwA-2ax9A:
40.4		 2piwA-2ax9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ILE A 672
PHE A 673
GLU A 829
ASN A 833
TYR A 834
GLU A 837
 None
 0.89A 2piwA-2ax9A:
40.4		 2piwA-2ax9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A 672
PHE A 673
GLY A 724
ASN A 727
TYR A 834
 None
 0.71A 2piwA-2ax9A:
40.4		 2piwA-2ax9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ILE A 672
PHE A 673
GLY A 724
ASN A 833
TYR A 834
GLU A 837
 None
 0.47A 2piwA-2ax9A:
40.4		 2piwA-2ax9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ILE A 672
PHE A 673
GLY A 724
TYR A 834
GLU A 837
ARG A 840
 None
 1.00A 2piwA-2ax9A:
40.4		 2piwA-2ax9A:
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.
2f9y ACETYL-COA
CARBOXYLASE,
CARBOXYLTRANSFERASE
ALPHA CHAIN
ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans)
PF03255
(ACCA) 		5 ILE A 253
GLY A 206
PHE B 227
GLU A 202
ARG A  68
 None
 1.40A 2piwA-2f9yA:
0.0		 2piwA-2f9yA:
19.27
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 ILE A 169
GLY A 159
ASN A 482
GLU A  88
ASN A 116
 None
 1.40A 2piwA-2fj0A:
0.0		 2piwA-2fj0A:
18.18
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.
2nd4 AMYLASE-BINDING
PROTEIN ABPA

(Streptococcus
parasanguinis) 		no annotation 5 GLY A 157
ASN A 156
TYR A 159
GLU A 134
ARG A  32
 None
 1.05A 2piwA-2nd4A:
undetectable		 2piwA-2nd4A:
21.01
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.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ILE A 946
GLU A 993
ASN A 990
TYR A 989
GLU A 988
 None
 1.32A 2piwA-2nm1A:
undetectable		 2piwA-2nm1A:
19.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 GLY A  52
ASN A  55
ASN A 161
TYR A 162
GLU A 165
 None
 0.89A 2piwA-2q3yA:
37.6		 2piwA-2q3yA:
59.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 GLY A  52
ASN A  55
GLU A 157
ASN A 161
TYR A 162
 None
 0.89A 2piwA-2q3yA:
37.6		 2piwA-2q3yA:
59.76
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ILE A 974
GLY A1012
TYR A 211
GLU A 978
ARG A 351
 None
None
None
OMT  A2473 ( 4.9A)
None
 1.28A 2piwA-2vdcA:
undetectable		 2piwA-2vdcA:
10.06
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.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		5 PHE A 288
GLY A 255
GLU A 174
GLU A 250
ARG A 166
 None
 1.34A 2piwA-3clhA:
undetectable		 2piwA-3clhA:
23.85
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.
3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL
PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
PHOSPHOTRANSFERASE
SUBUNIT DHAM

(Lactococcus
lactis) 		PF02734
(Dak2)
PF03610
(EIIA-man) 		5 ILE C  34
GLY A  76
GLU C  41
ASN C  39
GLU C  38
 None
 1.39A 2piwA-3cr3C:
undetectable		 2piwA-3cr3C:
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.
3cuc PROTEIN OF UNKNOWN
FUNCTION WITH A FIC
DOMAIN

(Bacteroides
thetaiotaomicron) 		PF02661
(Fic) 		5 PHE A  98
GLY A  79
ASN A  77
GLU A  86
ARG A  92
 None
 1.43A 2piwA-3cucA:
2.0		 2piwA-3cucA:
19.29
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.
3gk5 UNCHARACTERIZED
RHODANESE-RELATED
PROTEIN TVG0868615

(Thermoplasma
volcanium) 		PF00581
(Rhodanese) 		5 ILE A 128
PHE A 125
GLU A 142
GLU A 126
ARG A 122
 None
 1.37A 2piwA-3gk5A:
undetectable		 2piwA-3gk5A:
16.73
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.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 PHE A 224
GLY A 123
ASN A 121
GLU A  81
TYR A 151
 None
 1.43A 2piwA-3gwjA:
undetectable		 2piwA-3gwjA:
16.64
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.
3kal HOMOGLUTATHIONE
SYNTHETASE

(Glycine max) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 ILE A 180
GLY A 452
GLU A 169
ASN A 171
ARG A 295
 None
None
MG  A 502 (-1.9A)
MG  A 502 (-2.9A)
HGS  A 501 (-3.7A)
 1.37A 2piwA-3kalA:
undetectable		 2piwA-3kalA:
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.
3m3p GLUTAMINE AMIDO
TRANSFERASE

(Methylobacillus
flagellatus) 		PF00117
(GATase) 		5 ILE A 222
PHE A  31
TYR A 233
GLU A 230
ARG A 227
 None
 1.17A 2piwA-3m3pA:
undetectable		 2piwA-3m3pA:
21.38
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.
3t20 CIS-ACONITATE PORIN
OPDH

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ASN A 287
GLU A 343
ASN A 345
GLU A 347
ARG A 363
 None
 1.46A 2piwA-3t20A:
undetectable		 2piwA-3t20A:
19.36
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ILE A 590
ASN A 579
GLU A 376
ASN A 613
GLU A 592
 None
THG  A1652 (-3.1A)
THG  A1652 (-3.5A)
None
None
 1.48A 2piwA-4cczA:
undetectable		 2piwA-4cczA:
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.
4foz PORIN D

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ASN A 301
GLU A 369
ASN A 371
GLU A 373
ARG A 389
 None
 1.44A 2piwA-4fozA:
undetectable		 2piwA-4fozA:
21.00
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.
4ib2 PUTATIVE LIPOPROTEIN

([Ruminococcus]
gnavus) 		PF03180
(Lipoprotein_9) 		5 ILE A 266
GLY A 206
ASN A 205
PHE A 119
GLU A 224
 None
None
MET  A 305 (-3.8A)
None
None
 1.28A 2piwA-4ib2A:
undetectable		 2piwA-4ib2A:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLY A 789
ASN A 792
ASN A 898
TYR A 899
GLU A 902
 None
 1.01A 2piwA-4udbA:
34.3		 2piwA-4udbA:
48.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLY A 789
ASN A 792
GLU A 894
ASN A 898
TYR A 899
 None
 1.00A 2piwA-4udbA:
34.3		 2piwA-4udbA:
48.72
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.
4uw9 BETA-PHOSPHOGLUCOMUT
ASE

(Pyrococcus sp.
ST04) 		PF13419
(HAD_2) 		5 ILE A 102
PHE A 213
GLY A  10
GLU A 178
TYR A 197
 None
None
MG  A1229 ( 4.5A)
MG  A1229 (-3.1A)
None
 1.48A 2piwA-4uw9A:
undetectable		 2piwA-4uw9A:
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.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		5 ILE A 715
GLY A 997
ASN A 998
PHE A1023
GLU A1025
 None
 1.39A 2piwA-5isxA:
undetectable		 2piwA-5isxA:
17.90
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.
5jzb 4,5:9,10-DISECO-3-HY
DROXY-5,9,17-TRIOXOA
NDROSTA-1(10),2-DIEN
E-4-OATE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 PHE A  88
GLY A  44
ASN A 113
PHE A  55
TYR A  76
 None
 1.41A 2piwA-5jzbA:
undetectable		 2piwA-5jzbA:
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 GLY A 789
ASN A 792
ASN A 898
TYR A 899
GLU A 902
 None
 0.49A 2piwA-5mwpA:
37.0		 2piwA-5mwpA:
18.75
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 GLY A 789
ASN A 792
GLU A 894
ASN A 898
TYR A 899
 None
 0.93A 2piwA-5mwpA:
37.0		 2piwA-5mwpA:
18.75
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 PHE A 173
GLY A 148
ASN A 149
GLU A 262
ARG A 199
 None
 1.31A 2piwA-5nz7A:
undetectable		 2piwA-5nz7A:
12.62
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		5 ILE A 468
GLY A 417
TYR A 448
GLU A 449
ARG A 454
 None
 1.46A 2piwA-5o0sA:
undetectable		 2piwA-5o0sA:
14.83
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		5 ILE A 468
GLY A 418
TYR A 448
GLU A 449
ARG A 454
 None
 1.05A 2piwA-5o0sA:
undetectable		 2piwA-5o0sA:
14.83
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.
5veg FLAVODOXIN

(Lactobacillus
reuteri) 		no annotation 5 ILE A 133
GLY A  89
ASN A 100
ASN A  14
GLU A  17
 None
None
FMN  A 201 (-4.6A)
FMN  A 201 (-3.8A)
None
 1.21A 2piwA-5vegA:
undetectable		 2piwA-5vegA:
22.27
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.
5wti CRISPR-ASSOCIATED
PROTEIN

(Bacillus
thermoamylovorans) 		no annotation 5 ILE Z   7
PHE Z 510
GLY Z 482
ASN Z 515
TYR Z 402
 None
 1.40A 2piwA-5wtiZ:
undetectable		 2piwA-5wtiZ:
12.26
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.
5xrw FLIN
FLIY

(Helicobacter
pylori) 		no annotation 5 ILE A  90
GLY C 234
GLU A  94
ASN A 107
GLU A 108
 None
 1.45A 2piwA-5xrwA:
undetectable		 2piwA-5xrwA:
17.53