SIMILAR PATTERNS OF AMINO ACIDS FOR 5NN8_A_ACRA1016

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.
1ece ENDOCELLULASE E1

(Acidothermus
cellulolyticus) 		PF00150
(Cellulase) 		4 ASP A 324
GLY A 330
PRO A 323
TRP A 321
 None
 1.42A 5nn8A-1eceA:
2.3		 5nn8A-1eceA:
16.83
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.
1oaz THIOREDOXIN 1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		4 GLY A  88
PRO A  90
TRP A  31
CYH A  32
 None
 1.33A 5nn8A-1oazA:
undetectable		 5nn8A-1oazA:
7.89
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.
2afh NITROGENASE
MOLYBDENUM-IRON
PROTEIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 ASP B 372
GLY B 470
TRP B 370
CYH B 395
 None
 1.39A 5nn8A-2afhB:
undetectable		 5nn8A-2afhB:
20.16
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.
2gwf UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00581
(Rhodanese) 		4 ASP A 203
GLY A 300
TRP A 304
CYH A 214
 None
 1.47A 5nn8A-2gwfA:
undetectable		 5nn8A-2gwfA:
10.81
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.
2jer AGMATINE DEIMINASE

(Enterococcus
faecalis) 		PF04371
(PAD_porph) 		4 ASP A 286
GLY A  41
PRO A  35
TRP A  38
 None
 1.20A 5nn8A-2jerA:
undetectable		 5nn8A-2jerA:
17.12
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		4 ASP A 270
GLY A 119
PRO A 107
CYH A 101
 None
None
GOL  A 400 (-4.0A)
None
 1.49A 5nn8A-2pl5A:
0.0		 5nn8A-2pl5A:
19.49
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ASP A 429
GLY A 470
PRO A 467
TRP A 526
 None
 1.42A 5nn8A-2xgtA:
0.3		 5nn8A-2xgtA:
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.
2xxz LYSINE-SPECIFIC
DEMETHYLASE 6B

(Homo sapiens) 		PF02373
(JmjC) 		4 GLY A1426
PRO A1264
TRP A1434
CYH A1265
 None
 1.47A 5nn8A-2xxzA:
0.2		 5nn8A-2xxzA:
17.17
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.
2zjs FAB56 (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H 107
GLY H 104
PRO H 100
TRP H  33
 None
 1.16A 5nn8A-2zjsH:
0.6		 5nn8A-2zjsH:
13.36
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.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 ASP A 382
GLY A 388
PRO A 381
TRP A 379
 None
 1.45A 5nn8A-3axxA:
7.0		 5nn8A-3axxA:
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		4 GLY A  62
PRO A  65
TRP A  64
CYH A 175
 None
 1.34A 5nn8A-3b4wA:
undetectable		 5nn8A-3b4wA:
20.43
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ASP A 519
GLY A 504
PRO A 506
TRP A 479
 None
 1.15A 5nn8A-3bgaA:
7.3		 5nn8A-3bgaA:
22.42
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.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 194
GLY A 171
PRO A 191
TRP A 463
 BLA  A 900 (-3.4A)
None
None
None
 1.16A 5nn8A-3ibrA:
undetectable		 5nn8A-3ibrA:
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.
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		4 GLY A  75
PRO A  78
TRP A  77
CYH A 188
 None
 1.32A 5nn8A-3u4jA:
undetectable		 5nn8A-3u4jA:
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 ASP A 382
GLY A 388
PRO A 381
TRP A 379
 None
 1.44A 5nn8A-3w6mA:
1.7		 5nn8A-3w6mA:
16.46
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		4 ASP A 268
GLY A 273
PRO A 270
TRP A 248
 None
None
None
BGC  A 507 (-3.8A)
 1.43A 5nn8A-4e2oA:
13.8		 5nn8A-4e2oA:
18.59
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		4 ASP A 264
GLY A 216
PRO A 218
TRP A 186
 None
 0.97A 5nn8A-4h41A:
1.9		 5nn8A-4h41A:
15.46
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.
4hwe FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H 107
GLY H 104
PRO H 101
TRP H  34
 None
None
None
GOL  H 306 ( 4.1A)
 1.26A 5nn8A-4hweH:
2.3		 5nn8A-4hweH:
12.91
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.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		4 ASP A 184
GLY A 236
PRO A 232
TRP A 235
 None
 1.27A 5nn8A-4obsA:
2.7		 5nn8A-4obsA:
23.55
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.
4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C

(Zea mays) 		PF00171
(Aldedh) 		4 GLY A  75
PRO A  78
TRP A  77
CYH A 188
 None
 1.36A 5nn8A-4pxlA:
undetectable		 5nn8A-4pxlA:
21.27
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		4 GLY A  89
PRO A  92
TRP A  91
CYH A 202
 None
 1.35A 5nn8A-4pz2A:
undetectable		 5nn8A-4pz2A:
20.38
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.
4q04 URE3-BP SEQUENCE
SPECIFIC DNA BINDING
PROTEIN

(Entamoeba
histolytica) 		PF13499
(EF-hand_7) 		4 ASP A  48
GLY A  18
PRO A  46
TRP A  20
 None
 1.20A 5nn8A-4q04A:
undetectable		 5nn8A-4q04A:
13.94
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.
4u1c EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		4 ASP C 673
GLY C 666
PRO C 668
TRP A 253
 None
 1.43A 5nn8A-4u1cC:
undetectable		 5nn8A-4u1cC:
20.86
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ASP A 282
GLY A 256
PRO A 258
TRP A 156
 None
 0.93A 5nn8A-4uzsA:
2.7		 5nn8A-4uzsA:
21.84
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.
5a8d CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43) 		4 ASP A  43
GLY A 122
PRO A 108
CYH A  57
 None
 1.28A 5nn8A-5a8dA:
undetectable		 5nn8A-5a8dA:
16.28
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.
5hh3 OXYA PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		4 ASP A 135
GLY A 141
PRO A 138
TRP A 142
 None
 1.33A 5nn8A-5hh3A:
undetectable		 5nn8A-5hh3A:
19.70
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.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 4 ASP B 436
GLY B 439
PRO B 435
TRP B 438
 None
 1.15A 5nn8A-5i61B:
undetectable		 5nn8A-5i61B:
20.56
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLY A 609
PRO A 637
TRP A 639
CYH A 638
 None
 1.37A 5nn8A-5nd5A:
undetectable		 5nn8A-5nd5A:
23.00
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.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		4 ASP A 285
GLY A 126
PRO A 115
CYH A 109
 None
 1.47A 5nn8A-5w8pA:
undetectable		 5nn8A-5w8pA:
17.94
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.
6dnh CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 4

(Homo sapiens) 		no annotation 4 ASP C  34
GLY C  37
TRP C  71
CYH C  76
 None
None
None
ZN  C 302 (-2.4A)
 1.18A 5nn8A-6dnhC:
undetectable		 5nn8A-6dnhC:
7.38