SIMILAR PATTERNS OF AMINO ACIDS FOR 3CPP_A_CAMA422_0

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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		5 THR A 421
THR A 390
LEU A 325
VAL A 328
VAL A  64
 None
 1.15A 3cppA-1v5cA:
0.0		 3cppA-1v5cA:
22.20
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 PHE A  58
THR A 408
VAL A 362
VAL A  69
VAL A  20
 None
 1.45A 3cppA-2aafA:
0.0		 3cppA-2aafA:
22.55
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 THR A 176
THR A 235
LEU A 216
VAL A 213
ASP A 270
 MG  A 602 ( 3.3A)
None
None
None
MG  A 602 ( 4.8A)
 1.16A 3cppA-2f43A:
0.0		 3cppA-2f43A:
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.
2htm THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Thermus
thermophilus) 		PF05690
(ThiG) 		5 THR A  41
THR A 148
LEU A 205
VAL A 182
VAL A   6
 None
 1.46A 3cppA-2htmA:
0.0		 3cppA-2htmA:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		5 PHE A  87
TYR A  96
LEU A 244
VAL A 247
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-4.5A)
None
None
 1.09A 3cppA-2m56A:
67.4		 3cppA-2m56A:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		5 PHE A  87
TYR A  96
THR A 101
LEU A 244
VAL A 295
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
HEM  A 501 (-4.5A)
HEM  A 501 (-4.6A)
 0.95A 3cppA-2m56A:
67.4		 3cppA-2m56A:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		9 PHE A  87
TYR A  96
THR A 101
THR A 185
LEU A 244
VAL A 247
VAL A 295
ASP A 297
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
None
HEM  A 501 (-4.5A)
None
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
None
 0.36A 3cppA-2m56A:
67.4		 3cppA-2m56A:
99.75
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.
2x63 ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 PHE A  35
TYR A  34
THR A  61
THR A 166
ASP A 242
 None
 1.42A 3cppA-2x63A:
0.0		 3cppA-2x63A:
18.91
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.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		5 THR A 181
LEU A 175
VAL A 171
VAL A 161
VAL A 163
 None
 1.46A 3cppA-3tosA:
undetectable		 3cppA-3tosA:
22.57
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.
3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE

(Acetobacter
aceti) 		PF02515
(CoA_transf_3) 		5 LEU A 195
VAL A 199
VAL A  39
ASP A  18
VAL A  16
 None
 1.44A 3cppA-3ubmA:
0.0		 3cppA-3ubmA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		7 TYR A  98
THR A 103
THR A 187
LEU A 252
VAL A 303
ASP A 305
VAL A 404
 None
GOL  A1419 (-3.8A)
None
HEM  A1418 (-4.0A)
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
GOL  A1419 (-3.5A)
 0.50A 3cppA-4c9mA:
58.6		 3cppA-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 PHE A  87
THR A 101
LEU A 250
VAL A 301
VAL A 402
 None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
PEG  A 502 ( 4.5A)
None
 0.93A 3cppA-4dxyA:
52.0		 3cppA-4dxyA:
46.24
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		5 TYR A 293
THR A 437
LEU A 433
VAL A 418
VAL A 386
 None
 1.23A 3cppA-4f0qA:
undetectable		 3cppA-4f0qA:
22.01
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 THR A 583
THR A 310
LEU A 290
VAL A 286
VAL A 313
 None
 1.22A 3cppA-4hhrA:
undetectable		 3cppA-4hhrA:
19.85
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.
4ymw ABC-TYPE POLAR AMINO
ACID TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 5 THR J 188
LEU J  22
VAL J  24
VAL J  79
VAL J 157
 None
 1.14A 3cppA-4ymwJ:
undetectable		 3cppA-4ymwJ:
19.61
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
 None
 1.30A 3cppA-4yyfA:
undetectable		 3cppA-4yyfA:
22.95
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 PHE A  98
TYR A  94
THR A 231
VAL A 177
VAL A 166
 None
 1.42A 3cppA-5dmhA:
undetectable		 3cppA-5dmhA:
22.27
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.
5exc GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		5 PHE I  79
TYR I 177
THR I 175
THR I  69
VAL I 191
 None
 1.44A 3cppA-5excI:
undetectable		 3cppA-5excI:
17.84
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 THR A 403
LEU A  19
VAL A  23
ASP A 305
VAL A  37
 None
 1.48A 3cppA-5mswA:
undetectable		 3cppA-5mswA:
16.26
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 5 PHE A 428
THR A 501
THR A 309
VAL A 384
VAL A 306
 None
 1.49A 3cppA-6d35A:
undetectable		 3cppA-6d35A:
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 PHE A  34
TYR A  30
THR A 213
LEU A 274
VAL A 325
 None
 1.40A 3cppA-6eu6A:
undetectable		 3cppA-6eu6A:
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.
6fi2 VEXL

(Achromobacter
denitrificans) 		no annotation 5 THR A 188
LEU A 166
VAL A 150
VAL A 183
VAL A 159
 None
 1.47A 3cppA-6fi2A:
undetectable		 3cppA-6fi2A:
undetectable