SIMILAR PATTERNS OF AMINO ACIDS FOR 3BEX_A_PAUA248_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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 VAL A 162
GLY A 159
THR A  39
LEU A  35
THR A  27
 None
 1.42A 3bexA-1e3dA:
0.0
3bexB-1e3dA:
undetectable		 3bexA-1e3dA:
20.36
3bexB-1e3dA:
20.36
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ASN A 204
GLY A 166
ASP A 170
LEU A 200
THR A 141
 None
 1.39A 3bexA-1kclA:
undetectable
3bexB-1kclA:
undetectable		 3bexA-1kclA:
15.87
3bexB-1kclA:
15.87
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.
1kp2 ARGININOSUCCINATE
SYNTHETASE

(Escherichia
coli) 		PF00764
(Arginosuc_synth) 		5 ASN A 373
VAL A 375
GLY A 357
ARG A 239
THR A 360
 None
 1.50A 3bexA-1kp2A:
2.0
3bexB-1kp2A:
1.7		 3bexA-1kp2A:
19.78
3bexB-1kp2A:
19.78
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.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 725
ASP A 724
THR A 703
LEU A 698
THR A 696
 None
 1.32A 3bexA-1p2zA:
undetectable
3bexB-1p2zA:
undetectable		 3bexA-1p2zA:
14.15
3bexB-1p2zA:
14.15
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 GLY A 142
ASP A 141
THR A 165
LEU A 216
THR A 168
 None
 1.04A 3bexA-1smlA:
undetectable
3bexB-1smlA:
0.6		 3bexA-1smlA:
20.47
3bexB-1smlA:
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A 994
VAL A 952
GLY A1185
ASP A1146
THR A1151
 None
 1.27A 3bexA-1yguA:
undetectable
3bexB-1yguA:
undetectable		 3bexA-1yguA:
17.62
3bexB-1yguA:
17.62
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 VAL A 227
GLY A 230
ARG A 231
LYS A 202
LEU A 199
 None
 1.48A 3bexA-1z05A:
8.4
3bexB-1z05A:
8.5		 3bexA-1z05A:
22.05
3bexB-1z05A:
22.05
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 VAL A 227
GLY A 230
ARG A 231
LYS A 202
LEU A 203
 None
 1.44A 3bexA-1z05A:
8.4
3bexB-1z05A:
8.5		 3bexA-1z05A:
22.05
3bexB-1z05A:
22.05
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.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		6 ASN A   9
VAL A  55
GLY A  99
ASP A 101
ARG A 102
THR A 127
 None
 0.58A 3bexA-2f9tA:
24.0
3bexB-2f9tA:
23.9		 3bexA-2f9tA:
27.37
3bexB-2f9tA:
27.37
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.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		6 ASN A   8
VAL A  41
GLY A  72
ASP A  74
ARG A  75
THR A  95
 None
 0.45A 3bexA-2nrhA:
18.2
3bexB-2nrhA:
18.2		 3bexA-2nrhA:
23.79
3bexB-2nrhA:
23.79
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.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 690
ASP A 689
THR A 668
LEU A 663
THR A 661
 None
 1.32A 3bexA-2obeA:
undetectable
3bexB-2obeA:
undetectable		 3bexA-2obeA:
13.62
3bexB-2obeA:
13.62
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASN A 294
VAL A 328
GLY A 326
ASP A 333
THR A 273
 None
 1.28A 3bexA-2qghA:
undetectable
3bexB-2qghA:
undetectable		 3bexA-2qghA:
20.37
3bexB-2qghA:
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ASN A 212
VAL A 171
GLY A 168
THR A 137
LEU A 138
 None
None
None
None
MYA  A   1 ( 4.6A)
 1.18A 3bexA-3b96A:
undetectable
3bexB-3b96A:
undetectable		 3bexA-3b96A:
18.65
3bexB-3b96A:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		6 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 0.00A 3bexA-3bexA:
43.0
3bexB-3bexA:
41.8		 3bexA-3bexA:
100.00
3bexB-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		5 ASN A   9
VAL A  64
GLY A 106
ASP A 108
THR A 135
 None
 0.65A 3bexA-3djcA:
30.4
3bexB-3djcA:
30.4		 3bexA-3djcA:
36.69
3bexB-3djcA:
36.69
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.
3lu2 LMO2462 PROTEIN

(Listeria
monocytogenes) 		PF01244
(Peptidase_M19) 		5 ASN A 136
GLY A 154
THR A 131
LEU A 173
THR A 181
 None
 1.50A 3bexA-3lu2A:
undetectable
3bexB-3lu2A:
undetectable		 3bexA-3lu2A:
20.81
3bexB-3lu2A:
20.81
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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 ASN A 103
VAL A  82
THR A 147
LEU A 143
THR A  91
 None
 1.13A 3bexA-3uxyA:
undetectable
3bexB-3uxyA:
1.1		 3bexA-3uxyA:
22.46
3bexB-3uxyA:
22.46
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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 670
ASP A 669
THR A 648
LEU A 643
THR A 641
 None
 1.32A 3bexA-3zifA:
undetectable
3bexB-3zifA:
undetectable		 3bexA-3zifA:
13.75
3bexB-3zifA:
13.75
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		5 VAL A   6
GLY A  13
THR A 483
THR A   4
LEU A  20
 None
 1.26A 3bexA-4dgkA:
undetectable
3bexB-4dgkA:
undetectable		 3bexA-4dgkA:
18.70
3bexB-4dgkA:
18.70
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.
4etp KINESIN-LIKE PROTEIN
KAR3

(Saccharomyces
cerevisiae) 		PF00225
(Kinesin) 		5 VAL A 720
GLY A 657
THR A 694
LEU A 688
THR A 681
 None
 1.34A 3bexA-4etpA:
undetectable
3bexB-4etpA:
undetectable		 3bexA-4etpA:
20.54
3bexB-4etpA:
20.54
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.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		6 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
 0.35A 3bexA-4o5fA:
17.1
3bexB-4o5fA:
26.2		 3bexA-4o5fA:
24.82
3bexB-4o5fA:
24.82
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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		5 VAL A 440
GLY A 347
ASP A 253
THR A 481
THR A 261
 None
 1.38A 3bexA-4r12A:
undetectable
3bexB-4r12A:
undetectable		 3bexA-4r12A:
17.59
3bexB-4r12A:
17.59
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 213
THR A 201
THR A  15
LEU A 517
THR A 137
 None
None
FAD  A 700 (-3.8A)
None
None
 1.30A 3bexA-4udrA:
undetectable
3bexB-4udrA:
undetectable		 3bexA-4udrA:
19.74
3bexB-4udrA:
19.74
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.
4xcg THERMOSOME SUBUNIT
BETA

(Sulfolobus
solfataricus) 		PF00118
(Cpn60_TCP1) 		5 ASN B  72
GLY B 105
ASP B 104
THR B  51
LEU B  48
 None
None
ADP  B 600 (-2.7A)
None
None
 1.28A 3bexA-4xcgB:
undetectable
3bexB-4xcgB:
undetectable		 3bexA-4xcgB:
18.78
3bexB-4xcgB:
18.78
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		6 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
 0.36A 3bexA-5b8hA:
17.3
3bexB-5b8hA:
26.8		 3bexA-5b8hA:
25.08
3bexB-5b8hA:
25.08
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 VAL A 471
GLY A 452
ARG A 451
THR A 302
THR A 402
 None
 1.10A 3bexA-5i5dA:
1.2
3bexB-5i5dA:
0.5		 3bexA-5i5dA:
17.32
3bexB-5i5dA:
17.32
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 VAL A 471
GLY A 452
ARG A 451
THR A 302
THR A 402
 None
 1.12A 3bexA-5i5hA:
undetectable
3bexB-5i5hA:
undetectable		 3bexA-5i5hA:
19.29
3bexB-5i5hA:
19.29
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 709
ASP A 708
THR A 687
LEU A 682
THR A 680
 None
 1.28A 3bexA-5ldnA:
undetectable
3bexB-5ldnA:
undetectable		 3bexA-5ldnA:
14.08
3bexB-5ldnA:
14.08
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.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 5 VAL A 356
GLY A 358
THR A 429
LEU A 426
THR A 443
 None
 1.30A 3bexA-5vaeA:
undetectable
3bexB-5vaeA:
undetectable		 3bexA-5vaeA:
undetectable
3bexB-5vaeA:
undetectable