SIMILAR PATTERNS OF AMINO ACIDS FOR 1IWJ_A_CAMA418

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
 1.10A 1iwjA-1v5cA:
0.0		 1iwjA-1v5cA:
22.17
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.
1vbm TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 PHE A 236
THR A 263
LEU A 303
VAL A 307
VAL A 244
 None
 1.38A 1iwjA-1vbmA:
0.0		 1iwjA-1vbmA:
20.93
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 PHE A  58
THR A 408
VAL A 362
VAL A  69
VAL A  20
 None
 1.47A 1iwjA-2aafA:
undetectable		 1iwjA-2aafA:
22.98
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 1iwjA-2f43A:
0.0		 1iwjA-2f43A:
22.56
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.
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
 1.41A 1iwjA-2htmA:
0.0		 1iwjA-2htmA:
20.96
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
 0.30A 1iwjA-2m56A:
67.6		 1iwjA-2m56A:
99.50
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
 1.44A 1iwjA-2x63A:
undetectable		 1iwjA-2x63A:
18.87
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 PHE A 558
THR A 246
LEU A 263
VAL A 309
VAL A 144
 None
 1.44A 1iwjA-3lppA:
0.0		 1iwjA-3lppA:
18.67
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 THR A 489
LEU A  80
VAL A  58
VAL A 167
VAL A 161
 None
 1.46A 1iwjA-3popA:
0.0		 1iwjA-3popA:
21.30
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.
3qsq CAPSID POLYPROTEIN

(Mamastrovirus 1) 		PF12226
(Astro_capsid_p) 		5 PHE A 638
THR A 591
LEU A 626
VAL A 484
VAL A 438
 None
 1.33A 1iwjA-3qsqA:
undetectable		 1iwjA-3qsqA:
17.63
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.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		5 THR A 181
LEU A 175
VAL A 171
VAL A 161
VAL A 163
 None
 1.50A 1iwjA-3tosA:
undetectable		 1iwjA-3tosA:
19.95
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.
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
 1.40A 1iwjA-3ubmA:
undetectable		 1iwjA-3ubmA:
20.76
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)
 0.49A 1iwjA-4c9mA:
58.3		 1iwjA-4c9mA:
45.15
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
 0.89A 1iwjA-4dxyA:
51.7		 1iwjA-4dxyA:
46.12
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.
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
 1.16A 1iwjA-4hhrA:
undetectable		 1iwjA-4hhrA:
20.15
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 1

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		5 THR B 198
LEU B  28
VAL B  30
VAL B  87
VAL B 166
 None
 1.07A 1iwjA-4hzuB:
undetectable		 1iwjA-4hzuB:
21.83
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 1

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		5 THR B 198
LEU B  28
VAL B  30
VAL B 168
VAL B 166
 None
 1.49A 1iwjA-4hzuB:
undetectable		 1iwjA-4hzuB:
21.83
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.
4xxw PROTOCADHERIN-15

(Mus musculus) 		no annotation 5 PHE B 183
TYR B 207
LEU B 234
VAL B 135
VAL B 141
 None
 1.38A 1iwjA-4xxwB:
undetectable		 1iwjA-4xxwB:
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.
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
 1.17A 1iwjA-4ymwJ:
undetectable		 1iwjA-4ymwJ:
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.
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
 1.26A 1iwjA-4yyfA:
undetectable		 1iwjA-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.
5ah4 DNA POLYMERASE III
SUBUNIT BETA

(Mycolicibacterium
smegmatis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 THR A  88
LEU A  84
VAL A  43
VAL A  67
VAL A  65
 None
 1.29A 1iwjA-5ah4A:
undetectable		 1iwjA-5ah4A:
24.57
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.
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
 1.43A 1iwjA-5dmhA:
undetectable		 1iwjA-5dmhA:
22.29
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
 1.46A 1iwjA-5excI:
undetectable		 1iwjA-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.
5i33 ADENYLOSUCCINATE
SYNTHETASE

(Cryptococcus
neoformans) 		PF00709
(Adenylsucc_synt) 		5 THR A 239
THR A 285
VAL A 319
VAL A 372
VAL A 374
 None
 1.49A 1iwjA-5i33A:
undetectable		 1iwjA-5i33A:
22.80
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.
5lgd PLATELET
GLYCOPROTEIN 4

(Homo sapiens) 		PF01130
(CD36) 		5 PHE A 122
TYR A  93
THR A 130
LEU A 179
VAL A 128
 None
None
NAG  A 507 ( 4.7A)
None
None
 1.46A 1iwjA-5lgdA:
undetectable		 1iwjA-5lgdA:
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.
5mal LIPASE

(Streptomyces
rimosus) 		PF13472
(Lipase_GDSL_2) 		5 THR A 174
LEU A 120
VAL A 123
VAL A 136
VAL A  75
 None
 1.34A 1iwjA-5malA:
undetectable		 1iwjA-5malA:
20.80
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.
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
 1.41A 1iwjA-6eu6A:
undetectable		 1iwjA-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
 1.45A 1iwjA-6fi2A:
undetectable		 1iwjA-6fi2A:
undetectable