SIMILAR PATTERNS OF AMINO ACIDS FOR 4OT2_A_ACTA605

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.
1h2h HYPOTHETICAL PROTEIN
TM1643

(Thermotoga
maritima) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		3 LYS A  62
LYS A 157
ALA A  84
 None
 1.42A 4ot2A-1h2hA:
undetectable		 4ot2A-1h2hA:
17.66
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.
1t0p INTEGRIN ALPHA-L
INTERCELLULAR
ADHESION MOLECULE-3

(Homo sapiens;
Homo sapiens) 		PF00092
(VWA)
PF03921
(ICAM_N) 		3 LYS A 276
LYS B  33
ALA A 242
 None
 1.40A 4ot2A-1t0pA:
undetectable		 4ot2A-1t0pA:
14.21
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.
1vec ATP-DEPENDENT RNA
HELICASE P54

(Homo sapiens) 		PF00270
(DEAD) 		3 LYS A 239
LYS A 135
ALA A 267
 None
 1.35A 4ot2A-1vecA:
undetectable		 4ot2A-1vecA:
15.84
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.
1ylo HYPOTHETICAL PROTEIN
SF2450

(Shigella
flexneri) 		PF05343
(Peptidase_M42) 		3 LYS A 106
LYS A 163
ALA A  12
 None
 1.41A 4ot2A-1yloA:
0.0		 4ot2A-1yloA:
20.21
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.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		3 LYS A   3
LYS A 143
ALA A 168
 None
 0.96A 4ot2A-2gv8A:
0.0		 4ot2A-2gv8A:
21.72
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		3 LYS A 198
LYS A 611
ALA A 546
 None
 1.49A 4ot2A-2yheA:
0.2		 4ot2A-2yheA:
21.96
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		3 LYS A 218
LYS A 407
ALA A 642
 None
 1.24A 4ot2A-3j08A:
2.3		 4ot2A-3j08A:
22.12
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		3 LYS A4201
LYS A4041
ALA A4097
 None
 1.35A 4ot2A-3kciA:
undetectable		 4ot2A-3kciA:
21.37
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.
3s06 MOTILITY PROTEIN B

(Helicobacter
pylori) 		PF00691
(OmpA) 		3 LYS A  91
LYS A 170
ALA A 132
 None
 1.31A 4ot2A-3s06A:
undetectable		 4ot2A-3s06A:
14.56
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.
3vnw CYTOCHROME C-552

(Thermus
thermophilus) 		PF00034
(Cytochrom_C) 		3 LYS A  96
LYS A  61
ALA A  30
 None
 1.16A 4ot2A-3vnwA:
0.5		 4ot2A-3vnwA:
12.69
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.
4cf3 L-HALOACID
DEHALOGENASE

(Rhodobacteraceae) 		PF00702
(Hydrolase) 		3 LYS A  19
LYS A 157
ALA A 181
 ASB  A  18 ( 3.4A)
ASB  A  18 ( 2.8A)
ASB  A  18 ( 3.5A)
 1.20A 4ot2A-4cf3A:
1.3		 4ot2A-4cf3A:
17.55
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.
4cf3 L-HALOACID
DEHALOGENASE

(Rhodobacteraceae) 		PF00702
(Hydrolase) 		3 LYS A  19
LYS A 157
ALA A 183
 ASB  A  18 ( 3.4A)
ASB  A  18 ( 2.8A)
ASB  A  18 (-4.5A)
 1.50A 4ot2A-4cf3A:
1.3		 4ot2A-4cf3A:
17.55
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.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		3 LYS A 128
LYS A 232
ALA A 155
 None
 1.30A 4ot2A-4dqvA:
0.0		 4ot2A-4dqvA:
23.81
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.
4g56 HSL7 PROTEIN
MGC81050 PROTEIN

(Xenopus laevis;
Xenopus laevis) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C)
PF00400
(WD40) 		3 LYS B 135
LYS A  80
ALA A  16
 None
 1.50A 4ot2A-4g56B:
undetectable		 4ot2A-4g56B:
20.70
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.
4k1o CATENIN ALPHA-2

(Mus musculus) 		PF01044
(Vinculin) 		3 LYS A 716
LYS A 861
ALA A 702
 None
 1.07A 4ot2A-4k1oA:
3.7		 4ot2A-4k1oA:
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.
4m9r CELL DEATH PROTEIN 3

(Caenorhabditis
elegans) 		PF00656
(Peptidase_C14) 		3 LYS A 409
LYS A 351
ALA A 347
 None
 1.24A 4ot2A-4m9rA:
undetectable		 4ot2A-4m9rA:
18.78
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 LYS A 244
LYS A 290
ALA A 481
 MN  A 701 ( 2.4A)
GTP  A 703 (-2.6A)
None
 1.47A 4ot2A-4ox2A:
2.9		 4ot2A-4ox2A:
22.32
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		3 LYS A 107
LYS A 429
ALA A 488
 None
 0.97A 4ot2A-4rbnA:
1.4		 4ot2A-4rbnA:
21.40
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.
4uie SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 3 LYS A 812
LYS A 768
ALA A 788
 None
 1.47A 4ot2A-4uieA:
undetectable		 4ot2A-4uieA:
20.17
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.
4uj8 SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 3 LYS A 812
LYS A 768
ALA A 788
 None
 1.49A 4ot2A-4uj8A:
undetectable		 4ot2A-4uj8A:
20.52
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.
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		3 LYS A  91
LYS A 107
ALA A 131
 None
 1.40A 4ot2A-4xdoA:
undetectable		 4ot2A-4xdoA:
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.
5b1q U14 PROTEIN

(Human
betaherpesvirus
6B) 		PF04637
(Herpes_pp85) 		3 LYS A 189
LYS A 251
ALA A  55
 None
 1.40A 4ot2A-5b1qA:
1.5		 4ot2A-5b1qA:
22.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		3 LYS A 194
LYS A 221
ALA A 290
 CL  A 617 ( 4.0A)
CL  A 617 (-3.4A)
PG4  A 602 (-3.4A)
 0.65A 4ot2A-5dqfA:
54.7		 4ot2A-5dqfA:
99.83
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.
5ec0 ALP7A

(Bacillus
subtilis) 		no annotation 3 LYS A 231
LYS A 321
ALA A 225
 None
 1.22A 4ot2A-5ec0A:
undetectable		 4ot2A-5ec0A:
21.53
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.
5ftx SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 3 LYS A 812
LYS A 768
ALA A 788
 None
 1.41A 4ot2A-5ftxA:
undetectable		 4ot2A-5ftxA:
22.07
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		3 LYS A1291
LYS A 894
ALA A 824
 None
 1.13A 4ot2A-5gjvA:
4.1		 4ot2A-5gjvA:
14.58
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.
5hzr SNF2-FAMILY ATP
DEPENDENT CHROMATIN
REMODELING FACTOR
LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF14619
(SnAC) 		3 LYS A 635
LYS A 799
ALA A1001
 None
 1.00A 4ot2A-5hzrA:
1.8		 4ot2A-5hzrA:
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.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		3 LYS A 261
LYS A 288
ALA A  89
 None
 1.00A 4ot2A-5i84A:
undetectable		 4ot2A-5i84A:
19.55
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.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		3 LYS A 311
LYS A 299
ALA A 390
 BB2  A 604 ( 2.6A)
MN  A 602 ( 2.0A)
BCT  A 601 (-3.6A)
 1.14A 4ot2A-5nthA:
1.0		 4ot2A-5nthA:
20.76
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.
5usf TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Leishmania
donovani) 		PF00579
(tRNA-synt_1b) 		3 LYS A 385
LYS A 578
ALA A 562
 None
 1.45A 4ot2A-5usfA:
undetectable		 4ot2A-5usfA:
24.37
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.
6byo VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		no annotation 3 LYS A1291
LYS A 894
ALA A 824
 None
 1.16A 4ot2A-6byoA:
4.7		 4ot2A-6byoA:
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 3 LYS A 288
LYS A 390
ALA A 250
 ATP  A 601 (-4.8A)
None
ATP  A 601 (-3.3A)
 1.34A 4ot2A-6d5iA:
undetectable		 4ot2A-6d5iA:
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.
6egt GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		no annotation 3 LYS A 994
LYS A1004
ALA A 991
 None
 1.44A 4ot2A-6egtA:
undetectable		 4ot2A-6egtA:
20.44