SIMILAR PATTERNS OF AMINO ACIDS FOR 3QEL_D_QELD2_2

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.
19hc PROTEIN (NINE-HAEM
CYTOCHROME C)

(Desulfovibrio
desulfuricans) 		PF02085
(Cytochrom_CIII) 		5 PRO A  11
ALA A 159
PHE A  35
THR A 138
GLU A 141
 ACT  A 293 (-4.4A)
None
HEM  A 301 ( 3.8A)
None
None
 1.34A 3qelD-19hcA:
undetectable		 3qelD-19hcA:
22.02
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.
1a0p SITE-SPECIFIC
RECOMBINASE XERD

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		5 ALA A   6
GLN A  10
ILE A   8
PHE A  11
THR A 284
 None
 1.29A 3qelD-1a0pA:
undetectable		 3qelD-1a0pA:
18.77
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.
1g7u 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		5 GLN A 113
ILE A 112
THR A 201
PHE A 237
GLU A 239
 None
 1.33A 3qelD-1g7uA:
undetectable		 3qelD-1g7uA:
18.18
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.
1o60 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Haemophilus
influenzae) 		PF00793
(DAHP_synth_1) 		5 GLN A 113
ILE A 112
THR A 201
PHE A 237
GLU A 239
 None
 1.36A 3qelD-1o60A:
1.6		 3qelD-1o60A:
20.47
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.
1wiw GLUCOSE-6-PHOSPHATE
ISOMERASE LIKE
PROTEIN

(Thermus
thermophilus) 		PF10432
(bact-PGI_C) 		5 PRO A 277
ALA A 266
THR A 193
PHE A 167
PRO A 165
 None
 1.29A 3qelD-1wiwA:
0.4		 3qelD-1wiwA:
20.95
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.
2dut HETEROCHROMATIN-ASSO
CIATED PROTEIN MENT

(Gallus gallus) 		PF00079
(Serpin) 		5 ILE A 391
PHE A 390
THR A 208
PRO A 302
GLU A 355
 None
 1.20A 3qelD-2dutA:
undetectable		 3qelD-2dutA:
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 ALA A 379
GLN A 382
ILE A 383
THR A 263
GLU A 229
 None
 1.35A 3qelD-2qveA:
undetectable		 3qelD-2qveA:
21.06
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.
2was 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01648
(ACPS) 		5 ALA B1810
ILE B1776
THR B1792
PHE B1791
GLU B1795
 None
 1.14A 3qelD-2wasB:
undetectable		 3qelD-2wasB:
18.43
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.
3fg6 ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		5 ALA A 674
ILE A 654
PHE A 655
PHE A 626
GLU A 669
 None
 1.48A 3qelD-3fg6A:
undetectable		 3qelD-3fg6A:
23.13
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 PRO A 308
ALA A 322
ILE A 317
THR A  37
PHE A 334
 None
 1.44A 3qelD-3g7uA:
2.3		 3qelD-3g7uA:
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 PRO A 105
ALA A 132
GLN A  82
PHE A  84
PHE A 285
 None
None
XUL  A 515 (-3.9A)
None
XUL  A 515 (-3.3A)
 1.26A 3qelD-3hz6A:
undetectable		 3qelD-3hz6A:
21.33
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.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN

(Streptomyces
coelicolor) 		PF01547
(SBP_bac_1) 		5 ALA A 211
GLN A 215
ILE A 214
PHE A 217
THR A 156
 None
 1.23A 3qelD-3i3vA:
undetectable		 3qelD-3i3vA:
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.
3lnn MEMBRANE FUSION
PROTEIN (MFP) HEAVY
METAL CATION EFFLUX
ZNEB (CZCB-LIKE)

(Cupriavidus
metallidurans) 		PF00529
(HlyD)
PF16576
(HlyD_D23) 		5 ALA A  55
ILE A 177
THR A 211
PHE A 209
GLU A  51
 None
 1.39A 3qelD-3lnnA:
undetectable		 3qelD-3lnnA:
23.25
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.
3stg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Neisseria
meningitidis) 		PF00793
(DAHP_synth_1) 		5 GLN A 109
ILE A 108
THR A 197
PHE A 222
GLU A 224
 CL  A 270 (-3.8A)
None
None
CL  A 270 (-4.8A)
None
 1.45A 3qelD-3stgA:
1.8		 3qelD-3stgA:
22.19
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 376
ILE A 375
THR A 176
PHE A 177
GLU A 408
 None
 1.30A 3qelD-3tqpA:
undetectable		 3qelD-3tqpA:
20.44
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.
4bvl PHB DEPOLYMERASE
PHAZ7

(Paucimonas
lemoignei) 		PF01674
(Lipase_2) 		5 ALA A  53
ILE A  54
THR A 116
PHE A 117
PRO A  24
 None
 1.47A 3qelD-4bvlA:
2.8		 3qelD-4bvlA:
18.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pe5 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		9 PRO B  78
ALA B 107
GLN B 110
ILE B 111
PHE B 114
THR B 174
PHE B 176
PRO B 177
GLU B 236
 None
QEL  B 920 ( 3.9A)
QEL  B 920 (-3.0A)
QEL  B 920 (-4.6A)
QEL  B 920 (-3.6A)
None
None
QEL  B 920 (-4.6A)
QEL  B 920 (-2.9A)
 0.32A 3qelD-4pe5B:
24.5		 3qelD-4pe5B:
99.73
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.
4s2m BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00905
(Transpeptidase) 		5 ALA A 166
GLN A 169
ILE A 170
PHE A 234
THR A 213
 None
 1.45A 3qelD-4s2mA:
undetectable		 3qelD-4s2mA:
21.69
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.
4s2m BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00905
(Transpeptidase) 		5 ALA A 166
GLN A 169
ILE A 170
THR A 213
PRO A  68
 None
 1.44A 3qelD-4s2mA:
undetectable		 3qelD-4s2mA:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tll RECEPTOR SUBUNIT
GLUN2B

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		9 PRO B  73
ALA B 102
GLN B 105
ILE B 106
PHE B 109
THR B 169
PHE B 171
PRO B 172
GLU B 231
 None
QEM  B 901 ( 4.0A)
QEM  B 901 (-3.3A)
QEM  B 901 (-4.6A)
QEM  B 901 (-4.4A)
QEM  B 901 (-3.8A)
QEM  B 901 (-4.7A)
QEM  B 901 (-4.5A)
QEM  B 901 (-3.1A)
 0.56A 3qelD-4tllB:
28.5		 3qelD-4tllB:
38.85
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 PRO A 104
ALA A 193
GLN A 197
ILE A 198
PHE A 201
 None
 1.45A 3qelD-4x5sA:
undetectable		 3qelD-4x5sA:
20.37
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.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 382
ILE A 381
THR A 176
PHE A 177
GLU A 414
 None
 1.22A 3qelD-5boeA:
undetectable		 3qelD-5boeA:
22.88
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.
5l0o RAS
GTPASE-ACTIVATING-LI
KE PROTEIN IQGAP1

(Homo sapiens) 		PF00307
(CH) 		5 PRO A 146
ILE A 149
THR A 178
PHE A 177
GLU A 181
 None
 1.37A 3qelD-5l0oA:
undetectable		 3qelD-5l0oA:
17.60
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.
5no7 LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Trametes
cinnabarina) 		no annotation 5 ALA A  71
GLN A  84
ILE A  83
THR A  62
PHE A 141
 None
SO4  A 328 (-4.9A)
None
None
None
 1.42A 3qelD-5no7A:
undetectable		 3qelD-5no7A:
12.66
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.
5oon UNDECAPRENYL-DIPHOSP
HATASE

(Escherichia
coli) 		no annotation 5 ALA A 228
ILE A 232
PHE A 235
THR A  44
PHE A  48
 None
 1.33A 3qelD-5oonA:
undetectable		 3qelD-5oonA:
13.55
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00037
(Fer4)
PF00384
(Molybdopterin)
PF12838
(Fer4_7) 		5 ALA G  26
ILE G  20
PHE B 166
THR F 321
PRO F 319
 None
None
None
K  F 410 (-4.7A)
SF4  G 102 ( 4.8A)
 1.43A 3qelD-5t5iG:
undetectable		 3qelD-5t5iG:
12.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tpz GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ALA D 109
GLN D 110
PHE D 114
PHE D 176
PRO D 177
 None
 1.46A 3qelD-5tpzD:
50.4		 3qelD-5tpzD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tpz GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		8 PRO D  78
ALA D 107
GLN D 110
PHE D 114
THR D 174
PHE D 176
PRO D 177
GLU D 236
 None
 0.43A 3qelD-5tpzD:
50.4		 3qelD-5tpzD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5up2 N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR2A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ALA B 100
ILE B 104
PHE B 107
PRO B 170
GLU B 227
 None
 0.82A 3qelD-5up2B:
36.2		 3qelD-5up2B:
49.03