SIMILAR PATTERNS OF AMINO ACIDS FOR 5LBT_A_6T0A304_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
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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 214
GLY A 215
MET A  59
GLU A 203
ILE A 343
 None
None
AND  A 508 ( 4.0A)
None
None
 1.43A 5lbtA-1coyA:
3.0
5lbtB-1coyA:
2.9		 5lbtA-1coyA:
17.67
5lbtB-1coyA:
17.67
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 TRP A 229
GLY A 232
GLY A 386
ILE A 301
PHE A 310
 None
MGD  A5002 (-3.2A)
MGD  A5002 (-3.1A)
None
None
 1.21A 5lbtA-1g8kA:
undetectable
5lbtB-1g8kA:
undetectable		 5lbtA-1g8kA:
14.30
5lbtB-1g8kA:
14.30
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.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, B
CHAIN PRECURSOR

(Homo sapiens) 		PF00386
(C1q) 		5 GLY B 183
GLY B 184
TYR B 142
PHE B 115
PHE B 215
 None
 1.47A 5lbtA-1pk6B:
undetectable
5lbtB-1pk6B:
undetectable		 5lbtA-1pk6B:
20.08
5lbtB-1pk6B:
20.08
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.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, C
CHAIN PRECURSOR

(Homo sapiens) 		PF00386
(C1q) 		5 GLY C 177
GLY C 178
TYR C 139
PHE C 112
PHE C 209
 None
 1.49A 5lbtA-1pk6C:
undetectable
5lbtB-1pk6C:
undetectable		 5lbtA-1pk6C:
20.41
5lbtB-1pk6C:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
 FAD  A 501 (-4.5A)
FAD  A 501 (-3.9A)
FAD  A 501 (-4.0A)
None
FAD  A 501 (-4.9A)
 0.58A 5lbtA-1qbgA:
32.8
5lbtB-1qbgA:
32.2		 5lbtA-1qbgA:
43.18
5lbtB-1qbgA:
43.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrd QUINONE-REDUCTASE

(Rattus rattus) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
 DQN  A 276 ( 3.6A)
CBD  A 275 ( 3.7A)
FAD  A 274 (-3.7A)
CBD  A 275 ( 4.4A)
None
 0.46A 5lbtA-1qrdA:
29.5
5lbtB-1qrdA:
29.1		 5lbtA-1qrdA:
45.25
5lbtB-1qrdA:
45.25
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 GLY A  13
GLY A  12
GLU A 444
PHE A 372
ILE A 466
 None
 1.03A 5lbtA-1sqjA:
undetectable
5lbtB-1sqjA:
undetectable		 5lbtA-1sqjA:
14.38
5lbtB-1sqjA:
14.38
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 GLY A  13
GLY A  12
TYR A 361
GLU A 444
ILE A 466
 None
 1.27A 5lbtA-1sqjA:
undetectable
5lbtB-1sqjA:
undetectable		 5lbtA-1sqjA:
14.38
5lbtB-1sqjA:
14.38
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.
1u2h AORTIC
PREFERENTIALLY
EXPRESSED PROTEIN 1

(Homo sapiens) 		PF07679
(I-set) 		5 GLY A  74
GLY A  73
GLU A  70
PHE A  22
ILE A  41
 None
 1.37A 5lbtA-1u2hA:
undetectable
5lbtB-1u2hA:
undetectable		 5lbtA-1u2hA:
21.76
5lbtB-1u2hA:
21.76
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.
2i7g MONOOXYGENASE

(Agrobacterium
fabrum) 		PF00296
(Bac_luciferase) 		5 GLY A 181
GLY A 180
PHE A 304
ILE A 200
PHE A 212
 None
SO4  A 702 (-2.7A)
None
None
None
 1.29A 5lbtA-2i7gA:
undetectable
5lbtB-2i7gA:
undetectable		 5lbtA-2i7gA:
20.72
5lbtB-2i7gA:
20.72
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.
2jty TYPE-1 FIMBRIAL
PROTEIN, A CHAIN

(Escherichia
coli) 		PF00419
(Fimbrial) 		5 GLY A 172
GLY A 173
PHE A 133
ILE A  56
PHE A  73
 None
 1.29A 5lbtA-2jtyA:
undetectable
5lbtB-2jtyA:
undetectable		 5lbtA-2jtyA:
20.66
5lbtB-2jtyA:
20.66
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 GLY A  51
GLY A  52
TYR A  55
PHE A  87
PHE A 257
 None
None
13P  A1968 (-4.6A)
None
None
 1.40A 5lbtA-2r4jA:
undetectable
5lbtB-2r4jA:
undetectable		 5lbtA-2r4jA:
19.57
5lbtB-2r4jA:
19.57
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.
2r9v ATP SYNTHASE SUBUNIT
ALPHA

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 GLY A 441
GLY A 444
PHE A 461
ILE A 494
PHE A 457
 None
 1.39A 5lbtA-2r9vA:
undetectable
5lbtB-2r9vA:
undetectable		 5lbtA-2r9vA:
19.59
5lbtB-2r9vA:
19.59
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 GLY A 177
GLU A 182
PHE A  90
ILE A  36
PHE A 121
 None
 1.32A 5lbtA-3fnbA:
4.2
5lbtB-3fnbA:
3.5		 5lbtA-3fnbA:
19.07
5lbtB-3fnbA:
19.07
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.
3gt0 PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Bacillus cereus) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 GLY A  20
GLY A  19
TYR A  49
ILE A 150
PHE A   7
 None
 1.45A 5lbtA-3gt0A:
4.7
5lbtB-3gt0A:
4.7		 5lbtA-3gt0A:
20.45
5lbtB-3gt0A:
20.45
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 GLY M 663
GLY M 662
PHE M 682
ILE M 667
PHE M 695
 None
 1.48A 5lbtA-3i04M:
3.0
5lbtB-3i04M:
2.9		 5lbtA-3i04M:
14.56
5lbtB-3i04M:
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.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 GLY A  33
GLY A  35
ASN A 225
ILE A  30
PHE A 229
 None
 1.43A 5lbtA-3l5oA:
4.1
5lbtB-3l5oA:
4.0		 5lbtA-3l5oA:
22.26
5lbtB-3l5oA:
22.26
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.
3lot UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF05853
(BKACE) 		5 GLY A  88
GLY A  87
ASN A 114
ILE A  17
PHE A 120
 UNL  A 504 ( 3.6A)
UNL  A 502 ( 3.2A)
UNL  A 502 ( 3.0A)
None
UNL  A 504 ( 4.8A)
 1.46A 5lbtA-3lotA:
undetectable
5lbtB-3lotA:
undetectable		 5lbtA-3lotA:
24.24
5lbtB-3lotA:
24.24
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.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		5 GLY A 352
GLY A 354
PHE A 325
ILE A 327
PHE A 342
 None
None
None
None
FAD  A 400 (-4.8A)
 1.12A 5lbtA-3m0oA:
undetectable
5lbtB-3m0oA:
undetectable		 5lbtA-3m0oA:
22.88
5lbtB-3m0oA:
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.
3n0w ABC BRANCHED CHAIN
AMINO ACID FAMILY
TRANSPORTER,
PERIPLASMIC LIGAND
BINDING PROTEIN

(Paraburkholderia
xenovorans) 		PF13458
(Peripla_BP_6) 		5 GLY A 226
TYR A 174
PHE A 206
ILE A 233
PHE A 199
 None
 1.45A 5lbtA-3n0wA:
4.1
5lbtB-3n0wA:
3.7		 5lbtA-3n0wA:
23.92
5lbtB-3n0wA:
23.92
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.
3odh OKRAI ENDONUCLEASE

(Oceanobacter
kriegii) 		PF02923
(BamHI) 		5 TRP A  68
GLY A  92
GLY A  93
PHE A  96
ILE A 125
 None
 1.36A 5lbtA-3odhA:
undetectable
5lbtB-3odhA:
undetectable		 5lbtA-3odhA:
23.37
5lbtB-3odhA:
23.37
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.
3rfr PMOB

(Methylocystis
sp. M) 		PF04744
(Monooxygenase_B) 		5 TRP A  45
GLY A  88
ASN A 139
PHE A 120
ILE A 122
 None
 1.17A 5lbtA-3rfrA:
undetectable
5lbtB-3rfrA:
undetectable		 5lbtA-3rfrA:
20.24
5lbtB-3rfrA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		7 TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
ASN A 161
GLU A 193
 FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
FAD  A 232 ( 3.1A)
 0.22A 5lbtA-3te7A:
39.1
5lbtB-3te7A:
38.8		 5lbtA-3te7A:
99.56
5lbtB-3te7A:
99.56
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.
4e4g METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 GLY A 223
GLY A 246
ASN A 409
PHE A 149
ILE A 153
 None
 1.37A 5lbtA-4e4gA:
undetectable
5lbtB-4e4gA:
undetectable		 5lbtA-4e4gA:
17.52
5lbtB-4e4gA:
17.52
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.
4eg9 UNCHARACTERIZED
PROTEIN
SAOUHSC_02783

(Staphylococcus
aureus) 		PF04507
(DUF576) 		5 GLY A 107
TYR A  97
PHE A 156
ILE A 138
PHE A 158
 None
 1.37A 5lbtA-4eg9A:
undetectable
5lbtB-4eg9A:
undetectable		 5lbtA-4eg9A:
19.57
5lbtB-4eg9A:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gi5 QUINONE REDUCTASE

(Klebsiella
pneumoniae) 		PF02525
(Flavodoxin_2) 		5 TRP A 102
GLY A 154
GLY A 155
TYR A 160
ASN A 166
 FAD  A 301 (-4.1A)
FAD  A 301 (-3.6A)
FAD  A 301 (-3.5A)
FAD  A 301 (-4.7A)
None
 0.39A 5lbtA-4gi5A:
30.4
5lbtB-4gi5A:
30.0		 5lbtA-4gi5A:
37.63
5lbtB-4gi5A:
37.63
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.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides) 		PF16113
(ECH_2) 		5 GLY A 113
GLY A 114
GLU A 136
PHE A 179
ILE A 132
 None
 1.46A 5lbtA-4j2uA:
undetectable
5lbtB-4j2uA:
undetectable		 5lbtA-4j2uA:
19.35
5lbtB-4j2uA:
19.35
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.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 341
GLY A 340
PHE A 312
ILE A 348
PHE A 235
 KYD  A1386 (-3.7A)
None
None
None
None
 1.50A 5lbtA-5fpnA:
undetectable
5lbtB-5fpnA:
undetectable		 5lbtA-5fpnA:
16.17
5lbtB-5fpnA:
16.17
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		5 GLY A 230
GLY A 231
TYR A 192
PHE A 165
PHE A 262
 None
 1.49A 5lbtA-5hkjA:
undetectable
5lbtB-5hkjA:
undetectable		 5lbtA-5hkjA:
19.76
5lbtB-5hkjA:
19.76
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.
5hws 2-DEHYDROPANTOATE
2-REDUCTASE

(Thermococcus
kodakarensis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLY A 118
GLY A 117
PHE A  15
ILE A  70
PHE A 160
 None
 1.31A 5lbtA-5hwsA:
4.4
5lbtB-5hwsA:
4.3		 5lbtA-5hwsA:
20.86
5lbtB-5hwsA:
20.86
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 204
GLY A 203
TYR A  52
ASN A 179
PHE A 599
 None
 1.44A 5lbtA-5k6oA:
2.5
5lbtB-5k6oA:
3.1		 5lbtA-5k6oA:
13.21
5lbtB-5k6oA:
13.21
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.
5mz9 -

(-) 		no annotation 5 GLY A 655
GLY A 654
TYR A 584
PHE A 714
ILE A 738
 None
 1.34A 5lbtA-5mz9A:
undetectable
5lbtB-5mz9A:
undetectable		 5lbtA-5mz9A:
undetectable
5lbtB-5mz9A:
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 5 GLY A 602
GLY A 603
MET A 584
PHE A 670
ILE A 689
 None
 1.43A 5lbtA-5n4cA:
undetectable
5lbtB-5n4cA:
2.3		 5lbtA-5n4cA:
15.34
5lbtB-5n4cA:
15.34
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.
5t5x CRYPTOCHROME-1

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 TRP A 448
GLY A 417
GLY A 419
PHE A 337
ILE A 340
 None
 1.43A 5lbtA-5t5xA:
undetectable
5lbtB-5t5xA:
undetectable		 5lbtA-5t5xA:
19.63
5lbtB-5t5xA:
19.63
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 TRP A 249
GLY A  96
TYR A 118
PHE A 125
ILE A 130
 None
 1.41A 5lbtA-5u2aA:
3.1
5lbtB-5u2aA:
2.2		 5lbtA-5u2aA:
16.81
5lbtB-5u2aA:
16.81
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 GLY A 633
GLY A 634
ASN A 553
PHE A 751
ILE A 734
 None
 1.43A 5lbtA-5v1wA:
undetectable
5lbtB-5v1wA:
undetectable		 5lbtA-5v1wA:
15.05
5lbtB-5v1wA:
15.05
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.
5w7c ACYLOXYACYL
HYDROLASE

(Homo sapiens) 		no annotation 5 GLY C 528
MET C 463
TYR C 448
PHE C 505
PHE C 423
 None
None
None
DAO  C 609 ( 4.9A)
DAO  C 609 ( 3.8A)
 1.24A 5lbtA-5w7cC:
3.3
5lbtB-5w7cC:
3.5		 5lbtA-5w7cC:
16.91
5lbtB-5w7cC:
16.91
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 5 GLY A 184
GLY A 185
PHE A 241
ILE A 177
PHE A 243
 None
FAD  A 601 (-3.5A)
None
None
None
 1.25A 5lbtA-6eo5A:
undetectable
5lbtB-6eo5A:
undetectable		 5lbtA-6eo5A:
15.07
5lbtB-6eo5A:
15.07