SIMILAR PATTERNS OF AMINO ACIDS FOR 3BJW_C_SVRC505_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mc2 ACUTOHAEMONLYSIN

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		5 GLU A1004
GLY A1006
PRO A1017
LYS A1069
ARG A1072
 None
IPA  A1136 (-3.6A)
IPA  A1136 (-4.4A)
None
None
 1.15A 3bjwD-1mc2A:
19.9		 3bjwD-1mc2A:
56.56
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.
1pyf IOLS PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 VAL A  70
GLU A  73
GLY A  68
THR A  54
ARG A  42
 None
 1.44A 3bjwD-1pyfA:
undetectable		 3bjwD-1pyfA:
16.56
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.
1wrk TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES

(Homo sapiens) 		PF13833
(EF-hand_8) 		5 GLU A  40
GLY A  42
LYS A  43
PRO A  52
THR A  53
 None
 1.24A 3bjwD-1wrkA:
undetectable		 3bjwD-1wrkA:
15.25
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.
1yv9 HYDROLASE, HALOACID
DEHALOGENASE FAMILY

(Enterococcus
faecalis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 VAL A 120
VAL A 119
GLY A 146
PRO A 178
THR A 176
 None
 1.50A 3bjwD-1yv9A:
0.0		 3bjwD-1yv9A:
17.49
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.
2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE

(Oryza sativa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 VAL A 385
GLU A  87
GLY A 387
THR A 201
ARG A  90
 None
 1.29A 3bjwD-2cvoA:
0.0		 3bjwD-2cvoA:
12.32
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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 VAL A 549
GLY A 550
PRO A 583
THR A 584
ARG A 501
 None
 1.39A 3bjwD-2o1xA:
undetectable		 3bjwD-2o1xA:
9.81
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.
2ph1 NUCLEOTIDE-BINDING
PROTEIN

(Archaeoglobus
fulgidus) 		PF10609
(ParA) 		5 VAL A 184
VAL A 157
GLY A 155
PRO A 153
THR A 180
 None
 1.26A 3bjwD-2ph1A:
undetectable		 3bjwD-2ph1A:
18.22
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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 VAL A 329
GLU A  31
GLY A 331
THR A 145
ARG A  34
 None
 1.29A 3bjwD-2q49A:
0.0		 3bjwD-2q49A:
15.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhe PHOSPHOLIPASE A2

(Echis carinatus) 		PF00068
(Phospholip_A2_1) 		6 VAL A   2
VAL A   3
GLU A   4
GLY A   6
PRO A  18
THR A  23
 None
 0.61A 3bjwD-2qheA:
22.8		 3bjwD-2qheA:
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.
2wbi ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 11

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A 102
GLY A 105
LYS A 106
THR A 395
ARG A 333
 None
 1.49A 3bjwD-2wbiA:
0.0		 3bjwD-2wbiA:
12.85
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.
3b4u DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		5 VAL A 151
GLU A 184
GLY A 155
ARG A 180
LYS A 183
 None
 1.49A 3bjwD-3b4uA:
undetectable		 3bjwD-3b4uA:
14.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dih PHOSPHOLIPASE A2
HOMOLOG, AMMODYTIN L

(Vipera
ammodytes) 		PF00068
(Phospholip_A2_1) 		5 VAL A   2
GLU A   4
GLY A   6
PRO A  17
LYS A  60
 None
 0.93A 3bjwD-3dihA:
22.0		 3bjwD-3dihA:
64.75
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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 VAL A 273
VAL A 274
GLU A 275
GLY A 276
LYS A 541
 None
 1.47A 3bjwD-3g4fA:
undetectable		 3bjwD-3g4fA:
10.69
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.
3r67 PUTATIVE GLYCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF04041
(Glyco_hydro_130) 		5 GLU A 334
GLY A 361
PRO A  75
ARG A  40
LYS A 335
 None
 1.37A 3bjwD-3r67A:
undetectable		 3bjwD-3r67A:
13.76
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.
3taw HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Parabacteroides
distasonis) 		PF04041
(Glyco_hydro_130) 		5 GLU A 342
GLY A 369
PRO A  83
ARG A  49
LYS A 343
 None
 1.41A 3bjwD-3tawA:
undetectable		 3bjwD-3tawA:
14.24
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.
4by6 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1
GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF04054
(Not1)
PF04153
(NOT2_3_5) 		5 VAL A1804
VAL A1805
GLY A1808
PRO B  59
THR B  63
 None
 0.96A 3bjwD-4by6A:
undetectable		 3bjwD-4by6A:
10.71
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.
4d01 NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-9

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		5 VAL A  30
VAL A 158
GLY A 155
PRO A 198
LYS A  29
 None
 1.47A 3bjwD-4d01A:
undetectable		 3bjwD-4d01A:
19.19
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.
4esy CBS DOMAIN
CONTAINING MEMBRANE
PROTEIN

(Sphaerobacter
thermophilus) 		PF00571
(CBS) 		5 VAL A 357
GLU A 328
GLY A 358
PRO A 409
THR A 412
 None
 1.45A 3bjwD-4esyA:
undetectable		 3bjwD-4esyA:
16.96
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.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN
RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN 3A,
CHLOROPLASTIC

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF00101
(RuBisCO_small)
PF02788
(RuBisCO_large_N) 		5 GLU A 234
LYS A 236
PRO A 263
ARG A 167
LYS S  11
 None
 1.28A 3bjwD-4mkvA:
undetectable		 3bjwD-4mkvA:
13.70
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT ALPHA

(Methylobacillus
flagellatus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A 398
VAL A 399
GLU A 400
GLY A 402
THR A 389
 None
 1.19A 3bjwD-5ks8A:
undetectable		 3bjwD-5ks8A:
14.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tfv BASIC PHOSPHOLIPASE
A2 MYOTOXIN III

(Bothrops asper) 		PF00068
(Phospholip_A2_1) 		5 GLU A   4
LYS A   7
PRO A  18
THR A  23
ARG A  72
 None
 1.10A 3bjwD-5tfvA:
20.9		 3bjwD-5tfvA:
59.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tfv BASIC PHOSPHOLIPASE
A2 MYOTOXIN III

(Bothrops asper) 		PF00068
(Phospholip_A2_1) 		5 GLU A   4
LYS A   7
PRO A  18
THR A  23
LYS A  69
 None
 0.66A 3bjwD-5tfvA:
20.9		 3bjwD-5tfvA:
59.02
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 VAL A 301
GLU A 359
GLY A 299
LYS A 322
ARG A 311
 None
 1.41A 3bjwD-5vniA:
undetectable		 3bjwD-5vniA:
8.66
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.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 5 VAL A 125
GLU A 689
GLY A 118
THR A  74
ARG A 140
 None
 1.15A 3bjwD-5xgjA:
undetectable		 3bjwD-5xgjA:
15.57
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 5 VAL A 611
VAL A 610
GLY A 607
LYS A 606
THR A 536
 None
 1.48A 3bjwD-5yfbA:
undetectable		 3bjwD-5yfbA:
17.80
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.
6ce2 -

(-) 		no annotation 5 VAL A   3
GLU A   4
GLY A   6
LYS A  69
ARG A  72
 None
None
PE4  A 201 (-3.3A)
None
None
 1.21A 3bjwD-6ce2A:
20.1		 3bjwD-6ce2A:
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.
6ce2 -

(-) 		no annotation 5 VAL A   3
GLU A   4
GLY A   6
PRO A  18
ARG A  72
 None
None
PE4  A 201 (-3.3A)
PE4  A 201 (-4.6A)
None
 1.14A 3bjwD-6ce2A:
20.1		 3bjwD-6ce2A:
undetectable