SIMILAR PATTERNS OF AMINO ACIDS FOR 3NAI_B_URFB521

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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ARG A 475
ASP A  67
ASP A  63
ASP A  71
 None
 1.50A 3naiB-1m53A:
0.0		 3naiB-1m53A:
20.59
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 343
ASP A 344
 None
 0.94A 3naiB-1sh2A:
50.4		 3naiB-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.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		4 ARG A 179
ASP A 240
ASP A 338
ASP A 339
 None
 0.90A 3naiB-2d7sA:
32.8		 3naiB-2d7sA:
25.67
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.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 ARG A 293
ASP A 147
ASP A  11
ASP A  66
 None
MN  A 502 (-2.6A)
MN  A 501 (-2.5A)
MN  A 502 ( 2.6A)
 1.46A 3naiB-2eb0A:
1.4		 3naiB-2eb0A:
20.82
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.
2f17 THIAMIN
PYROPHOSPHOKINASE 1

(Mus musculus) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 ARG A 131
ASP A  46
ASP A  73
ASP A  71
 PYI  A 902 ( 3.4A)
MG  A 901 ( 3.4A)
MG  A 901 (-2.9A)
MG  A 901 (-2.6A)
 1.34A 3naiB-2f17A:
undetectable		 3naiB-2f17A:
18.38
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.
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)
 1.41A 3naiB-2vowA:
0.0		 3naiB-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.
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)
 1.26A 3naiB-3kb3B:
undetectable		 3naiB-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
 1.38A 3naiB-3mmpG:
3.0		 3naiB-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.
3s4y THIAMIN
PYROPHOSPHOKINASE 1

(Homo sapiens) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 ARG A 131
ASP A  46
ASP A  73
ASP A  71
 TPP  A1301 (-3.3A)
CA  A1303 ( 3.3A)
TPP  A1301 (-2.5A)
CA  A1303 ( 2.8A)
 1.15A 3naiB-3s4yA:
undetectable		 3naiB-3s4yA:
18.66
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.
3shq UBLCP1

(Drosophila
melanogaster) 		PF00240
(ubiquitin)
PF03031
(NIF) 		4 ARG A 258
ASP A 146
ASP A 255
ASP A 148
 None
MG  A 321 (-2.5A)
MG  A 321 (-2.7A)
MG  A 321 (-2.9A)
 1.37A 3naiB-3shqA:
undetectable		 3naiB-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.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		4 ARG A 185
ASP A  58
ASP A  60
ASP A 112
 None
 1.25A 3naiB-3wfoA:
0.8		 3naiB-3wfoA:
24.92
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.
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
 1.10A 3naiB-3zscA:
undetectable		 3naiB-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
 1.25A 3naiB-4da1A:
undetectable		 3naiB-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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		4 ARG A 174
ASP A 235
ASP A 333
ASP A 334
 None
 1.06A 3naiB-4nz0A:
33.4		 3naiB-4nz0A:
27.68
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		4 ARG A 958
ASP A1060
ASP A1187
ASP A1188
 None
 1.00A 3naiB-5amqA:
7.7		 3naiB-5amqA:
11.95
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.
5hmm EXODEOXYRIBONUCLEASE

(Escherichia
virus T5) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		4 ARG A  86
ASP A 130
ASP A 153
ASP A  26
 None
MG  A 302 ( 2.7A)
MG  A 303 (-3.0A)
MG  A 302 ( 4.1A)
 1.35A 3naiB-5hmmA:
undetectable		 3naiB-5hmmA:
21.75
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.
6d6v TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		no annotation 4 ARG A 543
ASP A 618
ASP A 815
ASP A 816
 None
 1.10A 3naiB-6d6vA:
8.1		 3naiB-6d6vA:
9.33
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.
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
 1.35A 3naiB-6evjB:
15.4		 3naiB-6evjB:
9.86