SIMILAR PATTERNS OF AMINO ACIDS FOR 3NAI_C_URFC521_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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT


(Escherichia
coli)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3)
4 ARG A 845
ASP A 765
ASP A 763
ARG A 848
None
1.26A 3naiC-1c30A:
1.3
3naiC-1c30A:
19.04
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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1


(Serratia
marcescens)
PF13354
(Beta-lactamase2)
4 ARG A 153
ASP A 163
ASP A 179
ARG A  65
None
1.45A 3naiC-1dy6A:
0.0
3naiC-1dy6A:
20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1khw RNA-DIRECTED RNA
POLYMERASE


(Rabbit
hemorrhagic
disease virus)
PF00680
(RdRP_1)
4 ARG A 188
ASP A 250
ASP A 354
ASP A 355
None
MN  A 602 ( 2.6A)
MN  A 601 ( 2.3A)
MN  A 601 (-4.0A)
1.09A 3naiC-1khwA:
38.7
3naiC-1khwA:
32.04
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.
1los OROTIDINE
MONOPHOSPHATE
DECARBOXYLASE


(Methanothermobacter
thermautotrophicus)
PF00215
(OMPdecase)
4 ARG A   4
ASP A   7
ASP A 174
ARG A 168
None
1.33A 3naiC-1losA:
undetectable
3naiC-1losA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sh2 RNA POLYMERASE

(Norwalk virus)
PF00680
(RdRP_1)
4 ARG A 182
ASP A 242
ASP A 344
ARG A 392
None
0.91A 3naiC-1sh2A:
50.7
3naiC-1sh2A:
57.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sh2 RNA POLYMERASE

(Norwalk virus)
PF00680
(RdRP_1)
4 ARG A 182
ASP A 343
ASP A 344
ARG A 392
None
0.44A 3naiC-1sh2A:
50.7
3naiC-1sh2A:
57.70
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii)
PF00128
(Alpha-amylase)
4 ARG A  40
ASP A  44
ASP A  48
ASP A  46
None
CA  A 601 (-3.3A)
CA  A 601 (-2.8A)
CA  A 601 (-3.1A)
1.44A 3naiC-1wzaA:
0.0
3naiC-1wzaA:
21.95
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.
2cm6 RABPHILIN-3A

(Rattus
norvegicus)
PF00168
(C2)
4 ASP A 571
ASP A 631
ASP A 639
ARG A 534
CA  A1679 ( 2.2A)
CA  A1679 ( 2.6A)
CA  A1680 (-3.1A)
None
1.34A 3naiC-2cm6A:
undetectable
3naiC-2cm6A:
14.51
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.
2d0j GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 2


(Homo sapiens)
PF03360
(Glyco_transf_43)
4 ASP A 187
ASP A 186
ASP A 185
ARG A 155
None
1.30A 3naiC-2d0jA:
0.0
3naiC-2d0jA:
18.86
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.
2i44 SERINE-THREONINE
PHOSPHATASE 2C


(Toxoplasma
gondii)
PF00481
(PP2C)
4 ARG A  40
ASP A  67
ASP A 273
ASP A 164
None
CA  A 401 ( 2.4A)
CA  A 401 (-2.8A)
None
1.46A 3naiC-2i44A:
0.0
3naiC-2i44A:
20.50
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.
2im9 HYPOTHETICAL PROTEIN

(Legionella
pneumophila)
PF07313
(DUF1460)
4 ARG A 212
ASP A 117
ASP A 119
ARG A 156
None
1.26A 3naiC-2im9A:
undetectable
3naiC-2im9A:
21.12
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.
2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN


(Bacillus
anthracis)
PF01812
(5-FTHF_cyc-lig)
4 ARG A   2
ASP A 144
ASP A 173
ARG A   9
ADP  A1190 (-2.8A)
MG  A1192 ( 2.5A)
MG  A1192 ( 3.0A)
ADP  A1190 (-3.8A)
1.34A 3naiC-2jcbA:
undetectable
3naiC-2jcbA:
18.16
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.
2jk1 HYDROGENASE
TRANSCRIPTIONAL
REGULATORY PROTEIN
HUPR1


(Rhodobacter
capsulatus)
PF00072
(Response_reg)
4 ARG A  57
ASP A  13
ASP A  55
ASP A  12
None
MG  A1144 (-2.4A)
MG  A1144 (-2.8A)
MG  A1144 ( 4.6A)
1.33A 3naiC-2jk1A:
undetectable
3naiC-2jk1A:
14.09
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.
2oae DIPEPTIDYL PEPTIDASE
4


(Rattus
norvegicus)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
4 ASP A 740
ASP A 709
ASP A 710
ARG A 123
None
None
None
SO4  A 801 ( 3.1A)
1.27A 3naiC-2oaeA:
undetectable
3naiC-2oaeA:
22.39
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.
2p11 HYPOTHETICAL PROTEIN

(Paraburkholderia
xenovorans)
no annotation 4 ASP A 168
ASP A  16
ASP A 167
ARG A 171
None
1.29A 3naiC-2p11A:
undetectable
3naiC-2p11A:
19.34
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.
2p8e PPM1B BETA ISOFORM
VARIANT 6


(Homo sapiens)
PF00481
(PP2C)
4 ARG A  33
ASP A  60
ASP A 243
ASP A 151
None
MG  A 306 (-2.5A)
MG  A 306 (-2.9A)
None
1.18A 3naiC-2p8eA:
undetectable
3naiC-2p8eA:
21.51
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.
2plg TLL0839 PROTEIN

(Synechococcus
elongatus)
PF10722
(YbjN)
4 ASP A 147
ASP A 146
ASP A 143
ARG A  55
None
1.27A 3naiC-2plgA:
undetectable
3naiC-2plgA:
17.18
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.
2ps2 PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Aspergillus
oryzae)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 ARG A 281
ASP A  95
ASP A  96
ARG A  89
None
1.25A 3naiC-2ps2A:
undetectable
3naiC-2ps2A:
22.95
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens)
PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3)
4 ASP A 899
ASP A 903
ASP A 910
ARG A 909
CA  A1174 ( 3.1A)
CA  A1174 ( 2.5A)
CA  A1175 ( 2.5A)
None
1.43A 3naiC-2rhpA:
undetectable
3naiC-2rhpA:
21.69
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.
2vow SURFACE-ASSOCIATED
PROTEIN


(Methylococcus
capsulatus)
no annotation 4 ARG A 153
ASP A 274
ASP A 250
ASP A 252
None
CA  A1338 (-2.7A)
CA  A1338 (-3.2A)
CA  A1338 (-3.3A)
1.44A 3naiC-2vowA:
undetectable
3naiC-2vowA:
20.15
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.
2yvx MG2+ TRANSPORTER
MGTE


(Thermus
thermophilus)
PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N)
4 ARG A 413
ASP A 259
ASP A 418
ARG A 220
None
MG  A 451 (-2.0A)
MG  A 451 (-3.4A)
None
1.34A 3naiC-2yvxA:
1.0
3naiC-2yvxA:
24.65
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.
2zuy YESX PROTEIN

(Bacillus
subtilis)
PF01839
(FG-GAP)
4 ARG A 283
ASP A 189
ASP A 191
ASP A 193
None
CA  A 624 (-3.2A)
CA  A 624 (-2.9A)
CA  A 624 (-3.0A)
1.47A 3naiC-2zuyA:
undetectable
3naiC-2zuyA:
23.33
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus)
PF00291
(PALP)
4 ARG A 242
ASP A 135
ASP A 136
ARG A 233
None
1.48A 3naiC-3aexA:
undetectable
3naiC-3aexA:
22.08
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.
3cm5 CELL DEATH-RELATED
NUCLEASE 4


(Caenorhabditis
elegans)
PF00929
(RNase_T)
4 ASP A 111
ASP A  15
ASP A 115
ARG A 118
None
MN  A 300 (-2.5A)
None
None
1.41A 3naiC-3cm5A:
undetectable
3naiC-3cm5A:
19.89
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN


(Homo sapiens)
PF02412
(TSP_3)
PF05735
(TSP_C)
4 ARG A 445
ASP A 422
ASP A 431
ASP A 428
None
CA  A 815 ( 3.0A)
CA  A 816 ( 2.6A)
None
1.28A 3naiC-3fbyA:
undetectable
3naiC-3fbyA:
23.24
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.
3i08 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 1


(Homo sapiens)
PF00066
(Notch)
PF06816
(NOD)
4 ARG A1595
ASP A1543
ASP A1558
ASP A1547
None
CA  A1667 (-2.8A)
CA  A1667 (-2.1A)
CA  A1667 (-3.3A)
1.15A 3naiC-3i08A:
undetectable
3naiC-3i08A:
19.58
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.
3kb3 PROTEIN PHOSPHATASE
2C 16


(Arabidopsis
thaliana)
PF00481
(PP2C)
4 ARG B 199
ASP B 243
ASP B 432
ASP B 346
None
MG  B 997 (-2.7A)
MG  B 997 ( 2.9A)
MG  B 999 (-3.9A)
1.22A 3naiC-3kb3B:
0.4
3naiC-3kb3B:
20.28
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.
3mmp RNA-DIRECTED RNA
POLYMERASE BETA
CHAIN


(Escherichia
virus Qbeta)
no annotation 4 ARG G 220
ASP G 274
ASP G 359
ASP G 360
None
1.36A 3naiC-3mmpG:
6.2
3naiC-3mmpG:
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.
3oh8 NUCLEOSIDE-DIPHOSPHA
TE SUGAR EPIMERASE
(SULA FAMILY)


(Corynebacterium
glutamicum)
PF01370
(Epimerase)
PF08338
(DUF1731)
4 ARG A 138
ASP A 344
ASP A 347
ASP A 343
None
1.26A 3naiC-3oh8A:
undetectable
3naiC-3oh8A:
23.51
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.
3shq UBLCP1

(Drosophila
melanogaster)
PF00240
(ubiquitin)
PF03031
(NIF)
4 ASP A 255
ASP A 146
ASP A 254
ARG A 258
MG  A 321 (-2.7A)
MG  A 321 (-2.5A)
MG  A 321 ( 4.5A)
None
1.42A 3naiC-3shqA:
undetectable
3naiC-3shqA:
18.85
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.
3zsc PECTATE
TRISACCHARIDE-LYASE


(Thermotoga
maritima)
PF00544
(Pec_lyase_C)
4 ARG A 197
ASP A 117
ASP A 139
ASP A 115
AQA  A1338 (-3.2A)
None
AQA  A1338 (-3.9A)
None
1.00A 3naiC-3zscA:
undetectable
3naiC-3zscA:
20.87
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.
4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL


(Homo sapiens)
PF00481
(PP2C)
4 ARG A 104
ASP A 127
ASP A 298
ASP A 208
None
MG  A 504 ( 2.6A)
MG  A 504 (-2.8A)
None
1.28A 3naiC-4da1A:
undetectable
3naiC-4da1A:
22.75
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.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE


(Oceanicola
granulosus)
PF00294
(PfkB)
4 ASP A 161
ASP A 256
ASP A  29
ARG A 165
None
1.01A 3naiC-4e69A:
1.1
3naiC-4e69A:
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.
4fnq ALPHA-GALACTOSIDASE
AGAB


(Geobacillus
stearothermophilus)
PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N)
4 ARG A 373
ASP A 366
ASP A 478
ARG A 443
None
1.46A 3naiC-4fnqA:
undetectable
3naiC-4fnqA:
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens)
PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
4 ASP A 451
ASP A 449
ASP A 455
ARG A 480
CA  A1115 (-2.7A)
CA  A1115 (-2.9A)
CA  A1115 (-2.0A)
None
1.43A 3naiC-4nenA:
undetectable
3naiC-4nenA:
19.93
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.
5bjx WLAL PROTEIN

(Campylobacter
jejuni)
no annotation 4 ARG A 400
ASP A 535
ASP A 538
ARG A 430
None
1.44A 3naiC-5bjxA:
undetectable
3naiC-5bjxA:
23.41
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.
5h9v RIBONUCLEASE ZC3H12A

(Mus musculus)
PF11977
(RNase_Zc3h12a)
4 ARG A 183
ASP A 141
ASP A 225
ASP A 226
None
1.49A 3naiC-5h9vA:
undetectable
3naiC-5h9vA:
17.82
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila)
PF00128
(Alpha-amylase)
4 ARG B  38
ASP B  42
ASP B  46
ASP B  44
None
NA  B 602 (-3.2A)
NA  B 602 (-2.9A)
NA  B 602 (-3.1A)
1.48A 3naiC-5m99B:
undetectable
3naiC-5m99B:
21.25
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.
5szp PROTOCADHERIN GAMMA
B7


(Mus musculus)
PF00028
(Cadherin)
PF08266
(Cadherin_2)
4 ASP A 310
ASP A 307
ASP A 343
ARG A 342
CA  A 507 ( 2.3A)
CA  A 508 (-3.3A)
CA  A 508 ( 3.0A)
None
1.10A 3naiC-5szpA:
undetectable
3naiC-5szpA:
23.96
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.
5tws HUMAN DNA POLYMERASE
MU


(Homo sapiens)
PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm)
4 ARG A 323
ASP A 330
ASP A 332
ASP A 418
GOA  A 503 (-3.0A)
MG  A 501 (-2.6A)
NA  A 502 (-2.5A)
NA  A 502 (-3.1A)
1.47A 3naiC-5twsA:
1.8
3naiC-5twsA:
22.22
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.
5w4t CADHERIN 23

(Danio rerio)
no annotation 4 ASP C 135
ASP C 133
ASP C 184
ARG C 189
CA  C 403 ( 3.1A)
CA  C 404 (-2.2A)
CA  C 404 (-3.2A)
None
1.48A 3naiC-5w4tC:
undetectable
3naiC-5w4tC:
9.94
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.
5w4t CADHERIN 23

(Danio rerio)
no annotation 4 ASP C 135
ASP C 184
ASP C 186
ARG C 189
CA  C 403 ( 3.1A)
CA  C 404 (-3.2A)
None
None
1.15A 3naiC-5w4tC:
undetectable
3naiC-5w4tC:
9.94
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.
5xt3 PHOSPHODIESTERASE
ACTING ON CYCLIC
DINUCLEOTIDES


(Staphylococcus
aureus)
no annotation 4 ARG A 504
ASP A 418
ASP A 349
ASP A 347
None
MN  A 701 ( 2.5A)
MN  A 701 (-3.2A)
MN  A 702 (-2.9A)
1.35A 3naiC-5xt3A:
undetectable
3naiC-5xt3A:
13.64
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.
6c33 5'-3' EXONUCLEASE

(Mycolicibacterium
smegmatis)
no annotation 4 ARG A  79
ASP A 125
ASP A 146
ASP A   9
None
MN  A 401 ( 2.7A)
MN  A 402 (-2.7A)
MN  A 401 ( 4.1A)
1.48A 3naiC-6c33A:
undetectable
3naiC-6c33A:
11.04
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT


(Influenza A
virus)
no annotation 4 ARG B 239
ASP B 305
ASP B 445
ASP B 446
None
1.36A 3naiC-6evjB:
15.2
3naiC-6evjB:
9.86
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.
6f1j -

(-)
no annotation 4 ARG A  51
ASP A 160
ASP A 177
ARG A 237
EDG  A 401 (-4.4A)
EDG  A 401 (-2.9A)
None
PEG  A 403 (-4.6A)
1.25A 3naiC-6f1jA:
undetectable
3naiC-6f1jA:
undetectable