SIMILAR PATTERNS OF AMINO ACIDS FOR 3NAI_A_URFA521_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
 1.11A 3naiA-1c30A:
2.0		 3naiA-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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		4 ARG A 104
ASP A 448
ASP A  39
ASP A  48
 None
 1.43A 3naiA-1hcuA:
0.0		 3naiA-1hcuA:
20.28
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)
 1.29A 3naiA-1khwA:
38.5		 3naiA-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
 1.24A 3naiA-1losA:
undetectable		 3naiA-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) 		5 ARG A 182
ASP A 242
ASP A 343
ASP A 344
ARG A 392
 None
 1.06A 3naiA-1sh2A:
50.3		 3naiA-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.
1u2v ARP2/3 COMPLEX 20KDA
SUBUNIT
ARP2/3 COMPLEX 34KDA
SUBUNIT

(Bos taurus) 		PF04045
(P34-Arc)
PF05856
(ARPC4) 		4 ARG F  92
ASP D 171
ASP D 173
ASP D 172
 None
 1.15A 3naiA-1u2vF:
undetectable		 3naiA-1u2vF:
14.91
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.
1wl1 OCTOPRENYL-DIPHOSPHA
TE SYNTHASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		4 ASP A  85
ASP A  81
ASP A  82
ARG A  91
 None
 1.35A 3naiA-1wl1A:
1.0		 3naiA-1wl1A:
20.11
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.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ARG A 125
ASP A 709
ASP A 739
ASP A 708
 ACF  A 800 (-3.4A)
None
None
None
 1.45A 3naiA-2g5tA:
0.0		 3naiA-2g5tA:
22.02
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
 1.27A 3naiA-2im9A:
undetectable		 3naiA-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.
2j64 FICOLIN-3

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 ARG A 112
ASP A  46
ASP A  44
ARG A 102
 None
 1.47A 3naiA-2j64A:
undetectable		 3naiA-2j64A:
18.98
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)
 1.35A 3naiA-2jcbA:
undetectable		 3naiA-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.
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
 1.27A 3naiA-2p8eA:
undetectable		 3naiA-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.
3kbg 30S RIBOSOMAL
PROTEIN S4E

(Thermoplasma
acidophilum) 		PF00900
(Ribosomal_S4e)
PF01479
(S4) 		4 ASP A 137
ASP A  69
ASP A  84
ARG A  94
 None
 1.35A 3naiA-3kbgA:
undetectable		 3naiA-3kbgA:
16.80
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		4 ARG A 166
ASP A 176
ASP A 192
ARG A  80
 None
CA  A   1 ( 2.8A)
None
None
 1.41A 3naiA-3lezA:
undetectable		 3naiA-3lezA:
20.08
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 4 ARG A 179
ASP A  99
ASP A 100
ARG A 104
 None
MG  A 701 (-2.5A)
None
None
 1.42A 3naiA-3lg5A:
0.7		 3naiA-3lg5A:
23.66
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.
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
 1.38A 3naiA-3mmpG:
13.9		 3naiA-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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ASP A 344
ASP A 346
ASP A 352
ARG A 373
 CA  A 602 (-3.9A)
CA  A 602 (-3.5A)
CA  A 602 (-2.7A)
None
 1.45A 3naiA-3v4pA:
undetectable		 3naiA-3v4pA:
19.72
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.
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
 1.13A 3naiA-3zscA:
undetectable		 3naiA-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
 1.45A 3naiA-4da1A:
undetectable		 3naiA-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.
4e2s UREIDOGLYCINE
AMINOHYDROLASE

(Arabidopsis
thaliana) 		PF07883
(Cupin_2) 		4 ARG A 284
ASP A 148
ASP A 192
ARG A 207
 None
 1.34A 3naiA-4e2sA:
undetectable		 3naiA-4e2sA:
19.88
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		4 ARG A 723
ASP A 281
ASP A 283
ARG A 287
 None
 1.43A 3naiA-4ex4A:
1.7		 3naiA-4ex4A:
22.70
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ARG A 474
ASP A 536
ASP A 668
ASP A 669
 SO4  A1009 (-3.1A)
None
None
None
 1.44A 3naiA-4k6mA:
23.7		 3naiA-4k6mA:
20.24
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.
4xxw PROTOCADHERIN-15

(Mus musculus) 		no annotation 4 ASP B  85
ASP B 159
ASP B 118
ARG B 119
 CA  B1002 ( 2.2A)
CA  B1002 ( 3.2A)
CA  B1002 (-3.2A)
None
 1.27A 3naiA-4xxwB:
undetectable		 3naiA-4xxwB:
18.62
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.
4xxw PROTOCADHERIN-15

(Mus musculus) 		no annotation 4 ASP B 118
ASP B  85
ASP B 159
ARG B 224
 CA  B1002 (-3.2A)
CA  B1002 ( 2.2A)
CA  B1002 ( 3.2A)
None
 1.41A 3naiA-4xxwB:
undetectable		 3naiA-4xxwB:
18.62
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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		4 ARG A 142
ASP A 104
ASP A 160
ASP A 184
 HEM  A 401 (-3.2A)
ZN  A 403 (-2.2A)
ZN  A 403 (-2.3A)
ZN  A 403 (-2.9A)
 1.26A 3naiA-5gj3A:
undetectable		 3naiA-5gj3A:
21.60
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.
5m2o GROUP I DOCKERIN

(Ruminococcus
flavefaciens) 		no annotation 4 ASP B  72
ASP B  78
ASP B  66
ARG B  62
 CA  B 202 (-2.9A)
CA  B 202 (-2.3A)
CA  B 202 (-3.0A)
None
 1.25A 3naiA-5m2oB:
undetectable		 3naiA-5m2oB:
9.66
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.
5o6k POLYPHOSPHATE:AMP
PHOSPHOTRANSFERASE

(Meiothermus
ruber) 		no annotation 4 ASP A 199
ASP A 196
ASP A  66
ARG A 122
 None
None
PO4  A 301 (-4.6A)
None
 1.34A 3naiA-5o6kA:
undetectable		 3naiA-5o6kA:
10.45
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.
5opt RIBOSOMAL PROTEIN
S7, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 ARG Q  81
ASP Q 139
ASP Q 163
ASP Q 160
 None
 1.49A 3naiA-5optQ:
undetectable		 3naiA-5optQ:
18.08
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.
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
 1.05A 3naiA-5szpA:
undetectable		 3naiA-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.
5t3o RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Thermus
thermophilus) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		4 ASP A 171
ASP A 220
ASP A 221
ARG A  97
 ADP  A 401 (-3.4A)
None
None
ADP  A 401 (-3.4A)
 1.15A 3naiA-5t3oA:
undetectable		 3naiA-5t3oA:
21.48
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.
5t4y SUSC HOMOLOG

(Bacteroides
thetaiotaomicron) 		no annotation 4 ARG D 937
ASP D 845
ASP D 848
ASP D 837
 None
 1.44A 3naiA-5t4yD:
undetectable		 3naiA-5t4yD:
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.
5xd0 GLUCANASE

(Paenibacillus
sp. X4) 		PF01270
(Glyco_hydro_8) 		4 ARG A 219
ASP A 158
ASP A 195
ASP A 207
 PGE  A 501 ( 4.9A)
None
None
None
 1.33A 3naiA-5xd0A:
1.5		 3naiA-5xd0A:
20.23
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.
5xgu RIBONUCLEASE R

(Escherichia
coli) 		no annotation 4 ASP B 186
ASP B 195
ASP B 194
ARG B 485
 MG  B 701 (-2.9A)
MG  B 701 (-2.6A)
None
None
 1.29A 3naiA-5xguB:
undetectable		 3naiA-5xguB:
21.35
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.
5xyi 40S RIBOSOMAL
PROTEIN S4

(Trichomonas
vaginalis) 		PF00900
(Ribosomal_S4e)
PF01479
(S4)
PF08071
(RS4NT)
PF16121
(40S_S4_C) 		4 ASP E 143
ASP E  73
ASP E  88
ARG E 100
 None
 1.12A 3naiA-5xyiE:
undetectable		 3naiA-5xyiE:
20.32
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)
 1.46A 3naiA-6c33A:
undetectable		 3naiA-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.
6cv7 -

(-) 		no annotation 4 ASP A  85
ASP A 159
ASP A 118
ARG A 119
 CA  A 402 ( 2.1A)
CA  A 402 ( 3.3A)
CA  A 402 (-3.0A)
None
 1.30A 3naiA-6cv7A:
undetectable		 3naiA-6cv7A:
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.
6cv7 -

(-) 		no annotation 4 ASP A 118
ASP A  85
ASP A 159
ARG A 224
 CA  A 402 (-3.0A)
CA  A 402 ( 2.1A)
CA  A 402 ( 3.3A)
None
 1.39A 3naiA-6cv7A:
undetectable		 3naiA-6cv7A:
undetectable