SIMILAR PATTERNS OF AMINO ACIDS FOR 2J2P_D_SC2D1290

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.
1cfe PATHOGENESIS-RELATED
PROTEIN P14A

(Solanum
lycopersicum) 		PF00188
(CAP) 		4 GLY A 115
TRP A 116
TRP A 117
ARG A 111
 None
 1.50A 2j2pD-1cfeA:
0.0
2j2pF-1cfeA:
0.0		 2j2pD-1cfeA:
19.63
2j2pF-1cfeA:
19.63
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.
1gl6 ATPASE

(Escherichia
coli) 		PF10412
(TrwB_AAD_bind) 		4 GLY A 378
TRP A 352
ARG A 380
LEU A 351
 None
 1.34A 2j2pD-1gl6A:
0.0
2j2pF-1gl6A:
0.0		 2j2pD-1gl6A:
20.14
2j2pF-1gl6A:
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.
1gtk PORPHOBILINOGEN
DEAMINASE

(Escherichia
coli) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 GLY A 173
TRP A  18
ARG A 176
LEU A 177
 DPM  A 315 ( 4.4A)
None
DPM  A 315 ( 4.8A)
None
 1.20A 2j2pD-1gtkA:
0.0
2j2pF-1gtkA:
0.0		 2j2pD-1gtkA:
21.50
2j2pF-1gtkA:
21.50
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 GLY A 586
TRP A 588
TRP A 730
ARG A 587
 None
 1.02A 2j2pD-1h0hA:
0.0
2j2pF-1h0hA:
0.0		 2j2pD-1h0hA:
11.77
2j2pF-1h0hA:
11.77
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.
1j32 ASPARTATE
AMINOTRANSFERASE

(Phormidium
lapideum) 		PF00155
(Aminotran_1_2) 		4 GLY A 196
TRP A 198
ARG A 228
LEU A 197
 None
 1.38A 2j2pD-1j32A:
0.0
2j2pF-1j32A:
0.0		 2j2pD-1j32A:
20.22
2j2pF-1j32A:
20.22
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 GLY A 630
TRP A 632
TRP A 771
ARG A 631
 None
 1.01A 2j2pD-1kqfA:
0.0
2j2pF-1kqfA:
0.0		 2j2pD-1kqfA:
12.12
2j2pF-1kqfA:
12.12
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLY A 479
TRP A 505
ARG A 433
LEU A 499
 None
 1.47A 2j2pD-1naaA:
0.0
2j2pF-1naaA:
0.0		 2j2pD-1naaA:
17.48
2j2pF-1naaA:
17.48
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.
1oll NK RECEPTOR

(Homo sapiens) 		no annotation 4 GLY A  79
TRP A  82
ARG A  77
LEU A  81
 None
 0.79A 2j2pD-1ollA:
0.0
2j2pF-1ollA:
0.0		 2j2pD-1ollA:
21.94
2j2pF-1ollA:
21.94
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.
1rni ORF904

(Sulfolobus
islandicus) 		PF09250
(Prim-Pol) 		4 GLY A 232
TRP A 121
ARG A 234
LEU A 235
 None
 1.34A 2j2pD-1rniA:
0.0
2j2pF-1rniA:
0.0		 2j2pD-1rniA:
21.61
2j2pF-1rniA:
21.61
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.
1vzo RIBOSOMAL PROTEIN S6
KINASE ALPHA 5

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 238
TRP A 239
ARG A 301
LEU A 293
 None
 1.47A 2j2pD-1vzoA:
undetectable
2j2pF-1vzoA:
undetectable		 2j2pD-1vzoA:
19.22
2j2pF-1vzoA:
19.22
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.
2cw7 ENDONUCLEASE
PI-PKOII

(Thermococcus
kodakarensis) 		PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		4 GLY A 104
TRP A 492
ARG A 489
LEU A 490
 None
 1.31A 2j2pD-2cw7A:
undetectable
2j2pF-2cw7A:
0.5		 2j2pD-2cw7A:
17.14
2j2pF-2cw7A:
17.14
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.
2edo CD48 ANTIGEN

(Homo sapiens) 		PF07686
(V-set) 		4 GLY A  73
TRP A  39
TRP A  50
LEU A  68
 None
 1.22A 2j2pD-2edoA:
undetectable
2j2pF-2edoA:
undetectable		 2j2pD-2edoA:
18.40
2j2pF-2edoA:
18.40
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.
2py0 FIMBRIAL PROTEIN

(Pseudomonas
aeruginosa) 		PF00114
(Pilin) 		4 GLY A 125
TRP A 127
ARG A 120
LEU A 126
 None
 1.24A 2j2pD-2py0A:
undetectable
2j2pF-2py0A:
undetectable		 2j2pD-2py0A:
20.37
2j2pF-2py0A:
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 TRP A 368
TRP A 369
ARG A 431
LEU A 423
 None
 1.46A 2j2pD-3nyoA:
undetectable
2j2pF-3nyoA:
undetectable		 2j2pD-3nyoA:
16.03
2j2pF-3nyoA:
16.03
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.
3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH) 		4 TRP A 332
TRP A 333
ARG A 391
LEU A 383
 TRP  A 332 ( 0.5A)
TRP  A 333 ( 0.5A)
ARG  A 391 ( 0.6A)
LEU  A 383 ( 0.6A)
 1.48A 2j2pD-3o96A:
undetectable
2j2pF-3o96A:
undetectable		 2j2pD-3o96A:
19.05
2j2pF-3o96A:
19.05
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.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		4 GLY A 315
TRP A 342
ARG A 316
LEU A  24
 FMN  A1357 (-3.2A)
FMN  A1357 (-3.8A)
FMN  A1357 (-3.8A)
FMN  A1357 (-4.5A)
 1.35A 2j2pD-4a3uA:
undetectable
2j2pF-4a3uA:
undetectable		 2j2pD-4a3uA:
19.27
2j2pF-4a3uA:
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		4 GLY A  85
TRP A 454
TRP A 465
LEU A 476
 None
 1.37A 2j2pD-4f7aA:
undetectable
2j2pF-4f7aA:
undetectable		 2j2pD-4f7aA:
17.99
2j2pF-4f7aA:
17.99
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.
4fr4 SERINE/THREONINE-PRO
TEIN KINASE 32A

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 206
TRP A 207
ARG A 268
LEU A 260
 None
 1.37A 2j2pD-4fr4A:
undetectable
2j2pF-4fr4A:
undetectable		 2j2pD-4fr4A:
18.78
2j2pF-4fr4A:
18.78
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.
4ll6 MYOSIN-4

(Saccharomyces
cerevisiae) 		PF01843
(DIL) 		4 GLY A1185
TRP A1189
TRP A1241
LEU A1177
 None
 1.39A 2j2pD-4ll6A:
undetectable
2j2pF-4ll6A:
undetectable		 2j2pD-4ll6A:
20.37
2j2pF-4ll6A:
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.
4mjf HYPOTHETICAL PROTEIN

(Bacteroides
vulgatus) 		PF14254
(DUF4348) 		4 GLY A 157
TRP A 159
ARG A 154
LEU A 158
 None
 1.06A 2j2pD-4mjfA:
undetectable
2j2pF-4mjfA:
undetectable		 2j2pD-4mjfA:
19.15
2j2pF-4mjfA:
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.
4mjf HYPOTHETICAL PROTEIN

(Bacteroides
vulgatus) 		PF14254
(DUF4348) 		4 GLY A 274
TRP A 276
ARG A 271
LEU A 275
 SO4  A 303 ( 4.8A)
None
SO4  A 303 (-3.7A)
None
 1.18A 2j2pD-4mjfA:
undetectable
2j2pF-4mjfA:
undetectable		 2j2pD-4mjfA:
19.15
2j2pF-4mjfA:
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.
4rit PYRIDOXAL-DEPENDENT
DECARBOXYLASE

(Sphaerobacter
thermophilus) 		no annotation 4 GLY B 410
TRP B 449
ARG B 409
LEU B 450
 None
None
GOL  B 506 (-3.0A)
None
 1.27A 2j2pD-4ritB:
undetectable
2j2pF-4ritB:
undetectable		 2j2pD-4ritB:
19.09
2j2pF-4ritB:
19.09
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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 TRP A 369
TRP A 370
ARG A 432
LEU A 424
 None
 1.47A 2j2pD-4yhjA:
undetectable
2j2pF-4yhjA:
undetectable		 2j2pD-4yhjA:
16.08
2j2pF-4yhjA:
16.08
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.
4zju ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Acinetobacter
baumannii) 		PF13561
(adh_short_C2) 		4 GLY A  86
TRP A  84
ARG A  10
LEU A 136
 None
 1.46A 2j2pD-4zjuA:
undetectable
2j2pF-4zjuA:
undetectable		 2j2pD-4zjuA:
21.91
2j2pF-4zjuA:
21.91
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.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 GLY A 394
TRP A 395
ARG A 251
LEU A 260
 None
 1.23A 2j2pD-5gxdA:
undetectable
2j2pF-5gxdA:
undetectable		 2j2pD-5gxdA:
16.18
2j2pF-5gxdA:
16.18
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.
5h6o PORPHOBILINOGEN
DEAMINASE

(Vibrio cholerae) 		no annotation 4 GLY A 179
TRP A  24
ARG A 182
LEU A 183
 DPM  A 401 ( 4.9A)
None
DPM  A 401 (-3.6A)
None
 1.10A 2j2pD-5h6oA:
undetectable
2j2pF-5h6oA:
undetectable		 2j2pD-5h6oA:
22.26
2j2pF-5h6oA:
22.26
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.
5hdi CYTOCHROME P450 144

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 GLY A 285
TRP A 171
TRP A 289
LEU A 430
 None
 1.39A 2j2pD-5hdiA:
undetectable
2j2pF-5hdiA:
undetectable		 2j2pD-5hdiA:
17.89
2j2pF-5hdiA:
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.
5l8x TETRAHYDROMETHANOPTE
RIN
S-METHYLTRANSFERASE
SUBUNIT A

(Methanocaldococcus
jannaschii) 		PF04208
(MtrA) 		4 GLY A  98
TRP A  95
ARG A 127
LEU A  94
 None
 1.23A 2j2pD-5l8xA:
undetectable
2j2pF-5l8xA:
undetectable		 2j2pD-5l8xA:
18.84
2j2pF-5l8xA:
18.84
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		4 GLY A 180
TRP A 112
ARG A 178
LEU A 111
 None
 1.24A 2j2pD-5l9wA:
undetectable
2j2pF-5l9wA:
undetectable		 2j2pD-5l9wA:
14.72
2j2pF-5l9wA:
14.72
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.
5loh SERINE/THREONINE-PRO
TEIN KINASE
GREATWALL,SERINE/THR
EONINE-PROTEIN
KINASE GREATWALL

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 761
TRP A 762
ARG A 823
LEU A 815
 CL  A 902 (-4.2A)
None
None
None
 1.40A 2j2pD-5lohA:
undetectable
2j2pF-5lohA:
undetectable		 2j2pD-5lohA:
17.51
2j2pF-5lohA:
17.51
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA

(Caulobacter
vibrioides) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 GLY A 216
TRP A 214
ARG A 124
LEU A 217
 None
 1.42A 2j2pD-5nr1A:
undetectable
2j2pF-5nr1A:
undetectable		 2j2pD-5nr1A:
19.15
2j2pF-5nr1A:
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.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III

(Komagataella
phaffii) 		no annotation 4 GLY A 173
TRP A 175
ARG A 199
LEU A 198
 None
 1.28A 2j2pD-5yatA:
undetectable
2j2pF-5yatA:
undetectable		 2j2pD-5yatA:
15.09
2j2pF-5yatA:
15.09