SIMILAR PATTERNS OF AMINO ACIDS FOR 4JKS_A_ADNA401_2

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.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 SER A 336
LEU A 330
TYR A 337
PRO A 141
 HEM  A 600 (-3.5A)
None
HEM  A 600 (-3.8A)
None
 1.50A 4jksA-1h7kA:
0.0		 4jksA-1h7kA:
20.45
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 SER A 440
LEU A 519
TYR A 476
PRO A 485
 None
 1.48A 4jksA-1hn0A:
0.0		 4jksA-1hn0A:
14.63
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 SER A 494
LEU A 681
TYR A 390
PRO A 722
 None
 1.33A 4jksA-1j0nA:
0.0		 4jksA-1j0nA:
18.24
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.
1sy7 CATALASE 1

(Neurospora
crassa) 		PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel) 		4 SER A 378
LEU A 372
TYR A 379
PRO A 179
 HDD  A1880 ( 2.7A)
None
HDD  A1880 ( 4.0A)
None
 1.50A 4jksA-1sy7A:
3.8		 4jksA-1sy7A:
18.79
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.
1vcz RNASE NGR3

(Nicotiana
glutinosa) 		PF00445
(Ribonuclease_T2) 		4 SER A 101
LEU A  60
TYR A 108
PRO A  51
 None
 1.42A 4jksA-1vczA:
undetectable		 4jksA-1vczA:
20.83
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.
1z1d LARGE T ANTIGEN

(Macaca mulatta
polyomavirus 1) 		PF02217
(T_Ag_DNA_bind) 		4 SER B  61
LEU B  18
TYR B  34
PRO B 112
 None
 1.41A 4jksA-1z1dB:
undetectable		 4jksA-1z1dB:
15.86
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 SER A 350
LEU A 344
TYR A 351
PRO A 151
 HDD  A 690 (-2.8A)
None
HDD  A 690 (-3.7A)
None
 1.46A 4jksA-2xf2A:
4.5		 4jksA-2xf2A:
20.77
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		4 SER A 217
LEU A 289
TYR A  89
PRO A 172
 None
 1.25A 4jksA-3asaA:
0.2		 4jksA-3asaA:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		4 SER A  60
LEU A  37
TYR A 158
PRO A 314
 ADN  A 353 (-4.6A)
None
ADN  A 353 (-3.6A)
ADN  A 353 (-4.2A)
 1.26A 4jksA-3uboA:
57.1		 4jksA-3uboA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		4 SER A  60
LEU A 131
TYR A 158
PRO A 314
 ADN  A 353 (-4.6A)
None
ADN  A 353 (-3.6A)
ADN  A 353 (-4.2A)
 0.19A 4jksA-3uboA:
57.1		 4jksA-3uboA:
71.88
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.
4b2n 70 KDA PROTEIN

(Xanthomonas sp.
35Y) 		no annotation 4 SER A 389
LEU A 528
TYR A 367
PRO A 384
 None
None
None
HEM  A 701 ( 4.9A)
 1.13A 4jksA-4b2nA:
undetectable		 4jksA-4b2nA:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		4 SER A  58
LEU A  35
TYR A 156
PRO A 312
 ADN  A 500 (-3.3A)
None
ADN  A 500 (-3.8A)
ADN  A 500 (-4.3A)
 1.31A 4jksA-4e3aA:
62.4		 4jksA-4e3aA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		4 SER A  58
LEU A 129
TYR A 156
PRO A 312
 ADN  A 500 (-3.3A)
None
ADN  A 500 (-3.8A)
ADN  A 500 (-4.3A)
 0.53A 4jksA-4e3aA:
62.4		 4jksA-4e3aA:
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 SER A 456
LEU A 179
TYR A 505
PRO A 219
 None
 1.47A 4jksA-4ph9A:
undetectable		 4jksA-4ph9A:
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.
4q1z PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF16215
(DUF4876) 		4 SER A 117
LEU A 257
TYR A 125
PRO A 383
 None
 1.31A 4jksA-4q1zA:
undetectable		 4jksA-4q1zA:
21.93
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.
4tx7 CLASS I CHITINASE

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		4 SER A  48
LEU A 106
TYR A  76
PRO A  44
 None
 1.37A 4jksA-4tx7A:
undetectable		 4jksA-4tx7A:
21.11
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.
5h65 PROTECTION OF
TELOMERES PROTEIN 1

(Homo sapiens) 		no annotation 4 SER A 421
LEU A 452
TYR A 419
PRO A 409
 None
 1.38A 4jksA-5h65A:
undetectable		 4jksA-5h65A:
21.77
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 SER B 546
LEU B 521
TYR B 634
PRO B 411
 None
 1.46A 4jksA-5ip9B:
undetectable		 4jksA-5ip9B:
15.69
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A

(Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		4 SER A 492
LEU A 185
TYR A 406
PRO A 335
 None
FAD  A 701 (-4.4A)
FAD  A 701 (-3.7A)
None
 1.43A 4jksA-5odrA:
5.4		 4jksA-5odrA:
19.45
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.
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		4 SER A1058
LEU A 184
TYR A 161
PRO A 499
 None
 1.42A 4jksA-5uakA:
undetectable		 4jksA-5uakA:
12.42
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.
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		4 SER A1058
LEU A1082
TYR A 161
PRO A 499
 None
 1.46A 4jksA-5uakA:
undetectable		 4jksA-5uakA:
12.42
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 4 SER A 256
LEU A 433
TYR A 250
PRO A 282
 None
 1.26A 4jksA-5xb7A:
3.3		 4jksA-5xb7A:
19.10
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 UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00163
(Ribosomal_S4)
PF00333
(Ribosomal_S5)
PF01479
(S4)
PF03719
(Ribosomal_S5_C) 		4 SER J  96
LEU J  75
TYR J  93
PRO C 188
 None
 1.18A 4jksA-5xyiJ:
undetectable		 4jksA-5xyiJ:
19.83
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.
5zvs VP2

(Aquareovirus C) 		no annotation 4 SER 2 230
LEU 2 383
TYR 2 271
PRO 2 208
 None
 1.38A 4jksA-5zvs2:
undetectable		 4jksA-5zvs2:
14.01
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.
8i1b INTERLEUKIN-1 BETA

(Mus musculus) 		PF00340
(IL1) 		4 SER A  84
LEU A  20
TYR A  24
PRO A  87
 None
 1.42A 4jksA-8i1bA:
undetectable		 4jksA-8i1bA:
19.42