SIMILAR PATTERNS OF AMINO ACIDS FOR 5XDX_B_CHDB302

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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.19A 5xdxA-1k5sB:
0.3
5xdxB-1k5sB:
0.0
5xdxT-1k5sB:
0.0		 5xdxA-1k5sB:
20.53
5xdxB-1k5sB:
17.45
5xdxT-1k5sB:
12.50
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.
1wk4 TTK003001606

(Thermus
thermophilus) 		PF00583
(Acetyltransf_1) 		5 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.15A 5xdxA-1wk4A:
undetectable
5xdxB-1wk4A:
0.0
5xdxT-1wk4A:
0.0		 5xdxA-1wk4A:
14.65
5xdxB-1wk4A:
21.15
5xdxT-1wk4A:
18.86
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A  79
GLN A  62
GLU A  80
PHE A 464
GLY A 190
 None
None
None
None
FAD  A 501 (-3.4A)
 1.50A 5xdxA-1zr6A:
0.3
5xdxB-1zr6A:
0.0
5xdxT-1zr6A:
0.0		 5xdxA-1zr6A:
21.86
5xdxB-1zr6A:
17.47
5xdxT-1zr6A:
10.75
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.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 119
GLN A 372
THR A 391
ARG A  19
GLY A 125
 None
 1.31A 5xdxA-2gskA:
undetectable
5xdxB-2gskA:
0.0
5xdxT-2gskA:
0.0		 5xdxA-2gskA:
21.56
5xdxB-2gskA:
14.48
5xdxT-2gskA:
10.11
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 181
GLU A 112
THR A 117
THR A 113
GLY A 174
 None
 1.36A 5xdxA-2quaA:
0.0
5xdxB-2quaA:
0.0
5xdxT-2quaA:
0.0		 5xdxA-2quaA:
21.91
5xdxB-2quaA:
15.42
5xdxT-2quaA:
9.09
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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		5 GLY A 291
THR A 328
ARG A 171
PHE A 192
GLY A 273
 None
None
None
None
C5P  A1344 (-3.2A)
 1.49A 5xdxA-2wnbA:
0.0
5xdxB-2wnbA:
0.0
5xdxT-2wnbA:
0.0		 5xdxA-2wnbA:
17.88
5xdxB-2wnbA:
18.98
5xdxT-2wnbA:
14.73
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.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 MET A 488
GLY A 489
THR A 300
ARG A 486
GLY A 441
 None
 1.31A 5xdxA-3al8A:
undetectable
5xdxB-3al8A:
0.0
5xdxT-3al8A:
0.0		 5xdxA-3al8A:
21.01
5xdxB-3al8A:
17.63
5xdxT-3al8A:
8.99
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 MET A 179
GLU A 170
ARG A 230
PHE A 224
GLY A 222
 None
 1.38A 5xdxA-3bt7A:
0.0
5xdxB-3bt7A:
0.0
5xdxT-3bt7A:
0.0		 5xdxA-3bt7A:
20.94
5xdxB-3bt7A:
20.40
5xdxT-3bt7A:
13.92
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.35A 5xdxA-3ce6A:
0.0
5xdxB-3ce6A:
0.0
5xdxT-3ce6A:
0.0		 5xdxA-3ce6A:
22.59
5xdxB-3ce6A:
18.09
5xdxT-3ce6A:
12.00
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 MET A 402
GLY A 399
THR A 392
ARG A 375
GLY A 484
 None
 1.44A 5xdxA-3cvrA:
0.5
5xdxB-3cvrA:
undetectable
5xdxT-3cvrA:
undetectable		 5xdxA-3cvrA:
22.78
5xdxB-3cvrA:
18.50
5xdxT-3cvrA:
9.07
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 GLY A 153
THR A 129
ARG A 112
PHE A 104
GLY A  83
 None
 1.32A 5xdxA-3fgbA:
undetectable
5xdxB-3fgbA:
undetectable
5xdxT-3fgbA:
undetectable		 5xdxA-3fgbA:
20.44
5xdxB-3fgbA:
21.47
5xdxT-3fgbA:
13.33
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 GLY A 199
GLN A 202
THR A 203
ARG A 137
GLY A 275
 None
 1.45A 5xdxA-3hn0A:
0.0
5xdxB-3hn0A:
undetectable
5xdxT-3hn0A:
undetectable		 5xdxA-3hn0A:
19.48
5xdxB-3hn0A:
21.92
5xdxT-3hn0A:
15.47
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.
3j4u MAJOR CAPSID PROTEIN

(Bordetella
virus BPP1) 		no annotation 5 MET A  87
GLY A  88
GLN A 126
THR A 125
GLY A 144
 None
 1.43A 5xdxA-3j4uA:
undetectable
5xdxB-3j4uA:
undetectable
5xdxT-3j4uA:
undetectable		 5xdxA-3j4uA:
21.07
5xdxB-3j4uA:
21.30
5xdxT-3j4uA:
14.44
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 GLY A 127
THR A  51
ARG A  65
ARG A  62
PHE A  59
 None
 1.28A 5xdxA-3nioA:
undetectable
5xdxB-3nioA:
undetectable
5xdxT-3nioA:
undetectable		 5xdxA-3nioA:
21.00
5xdxB-3nioA:
22.47
5xdxT-3nioA:
14.20
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 GLY A  18
ARG A 137
ARG A 135
PHE A 161
GLY A 184
 None
 1.03A 5xdxA-3s9bA:
undetectable
5xdxB-3s9bA:
undetectable
5xdxT-3s9bA:
undetectable		 5xdxA-3s9bA:
19.00
5xdxB-3s9bA:
21.01
5xdxT-3s9bA:
15.53
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.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 GLN A 277
ARG A 167
ARG A 247
PHE A 274
GLY A   7
 None
 1.10A 5xdxA-3wrcA:
0.0
5xdxB-3wrcA:
undetectable
5xdxT-3wrcA:
undetectable		 5xdxA-3wrcA:
22.00
5xdxB-3wrcA:
17.69
5xdxT-3wrcA:
10.79
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A 214
GLU A 201
THR A 230
THR A 231
GLY A  94
 None
 1.39A 5xdxA-3wy7A:
undetectable
5xdxB-3wy7A:
undetectable
5xdxT-3wy7A:
undetectable		 5xdxA-3wy7A:
21.19
5xdxB-3wy7A:
19.49
5xdxT-3wy7A:
12.93
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		5 GLY A 154
GLN A 170
GLU A 158
THR A 168
GLY A  66
 None
 1.42A 5xdxA-3zytA:
0.0
5xdxB-3zytA:
undetectable
5xdxT-3zytA:
undetectable		 5xdxA-3zytA:
20.15
5xdxB-3zytA:
20.27
5xdxT-3zytA:
12.71
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 MET A 566
GLY A 565
THR A 544
PHE A 559
GLY A 552
 None
 1.45A 5xdxA-4cgyA:
1.6
5xdxB-4cgyA:
undetectable
5xdxT-4cgyA:
undetectable		 5xdxA-4cgyA:
20.21
5xdxB-4cgyA:
12.96
5xdxT-4cgyA:
9.36
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
GLU A 505
THR A 482
PHE A 444
GLY A 643
 None
 1.29A 5xdxA-4cu8A:
undetectable
5xdxB-4cu8A:
undetectable
5xdxT-4cu8A:
undetectable		 5xdxA-4cu8A:
20.58
5xdxB-4cu8A:
14.29
5xdxT-4cu8A:
7.93
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
THR A 482
THR A 483
PHE A 444
GLY A 643
 None
 1.42A 5xdxA-4cu8A:
undetectable
5xdxB-4cu8A:
undetectable
5xdxT-4cu8A:
undetectable		 5xdxA-4cu8A:
20.58
5xdxB-4cu8A:
14.29
5xdxT-4cu8A:
7.93
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.
4g1b FLAVOHEMOGLOBIN

(Saccharomyces
cerevisiae) 		PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLY A  51
GLN A  53
THR A  59
ARG A 207
GLY A 391
 None
HEM  A 401 ( 4.1A)
None
FAD  A 402 (-3.9A)
FAD  A 402 ( 4.4A)
 1.48A 5xdxA-4g1bA:
2.2
5xdxB-4g1bA:
undetectable
5xdxT-4g1bA:
undetectable		 5xdxA-4g1bA:
20.15
5xdxB-4g1bA:
20.15
5xdxT-4g1bA:
12.87
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.
4ix9 V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		PF01990
(ATP-synt_F) 		5 GLY A  26
THR A  16
THR A  18
ARG A  61
PHE A  38
 TRS  A 101 (-3.5A)
None
None
None
None
 1.44A 5xdxA-4ix9A:
undetectable
5xdxB-4ix9A:
undetectable
5xdxT-4ix9A:
undetectable		 5xdxA-4ix9A:
10.32
5xdxB-4ix9A:
18.72
5xdxT-4ix9A:
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.
4k3y NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 GLN A 226
THR A 239
ARG A 406
PHE A 277
GLY A 291
 None
 1.29A 5xdxA-4k3yA:
undetectable
5xdxB-4k3yA:
undetectable
5xdxT-4k3yA:
undetectable		 5xdxA-4k3yA:
21.72
5xdxB-4k3yA:
20.77
5xdxT-4k3yA:
11.81
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 MET A 149
GLY A 177
GLN A 175
ARG A  44
GLY A 184
 GST  A 302 ( 4.1A)
None
None
IPE  A 301 (-3.1A)
None
 1.43A 5xdxA-4llsA:
1.7
5xdxB-4llsA:
undetectable
5xdxT-4llsA:
undetectable		 5xdxA-4llsA:
20.31
5xdxB-4llsA:
22.93
5xdxT-4llsA:
14.29
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.25A 5xdxA-4pelB:
0.7
5xdxB-4pelB:
undetectable
5xdxT-4pelB:
undetectable		 5xdxA-4pelB:
21.29
5xdxB-4pelB:
17.12
5xdxT-4pelB:
9.81
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 GLU A  71
THR A  70
THR A  69
ARG A 151
GLY A 135
 None
 1.37A 5xdxA-4qa9A:
0.0
5xdxB-4qa9A:
undetectable
5xdxT-4qa9A:
undetectable		 5xdxA-4qa9A:
21.32
5xdxB-4qa9A:
21.63
5xdxT-4qa9A:
9.54
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.35A 5xdxA-4qdgA:
undetectable
5xdxB-4qdgA:
undetectable
5xdxT-4qdgA:
undetectable		 5xdxA-4qdgA:
20.49
5xdxB-4qdgA:
23.20
5xdxT-4qdgA:
13.97
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 323
THR A 359
THR A 360
PHE A 594
GLY A 593
 None
 1.48A 5xdxA-5dmyA:
undetectable
5xdxB-5dmyA:
undetectable
5xdxT-5dmyA:
undetectable		 5xdxA-5dmyA:
19.59
5xdxB-5dmyA:
12.15
5xdxT-5dmyA:
7.13
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 GLY A 104
THR A 333
THR A 331
PHE A 182
GLY A 277
 HEM  A 801 (-3.4A)
None
None
None
None
 1.49A 5xdxA-5kqiA:
undetectable
5xdxB-5kqiA:
undetectable
5xdxT-5kqiA:
undetectable		 5xdxA-5kqiA:
20.60
5xdxB-5kqiA:
16.18
5xdxT-5kqiA:
8.52
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 GLY A 519
GLU A 518
THR A  16
THR A 252
PHE A  22
 None
 1.43A 5xdxA-5yb7A:
undetectable
5xdxB-5yb7A:
undetectable
5xdxT-5yb7A:
undetectable		 5xdxA-5yb7A:
undetectable
5xdxB-5yb7A:
undetectable
5xdxT-5yb7A:
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.
6brd RIFAMPIN
MONOOXYGENASE

(Streptomyces
venezuelae) 		no annotation 5 GLY A  10
GLN A  98
GLU A 102
THR A  37
GLY A 152
 FAD  A 501 (-3.2A)
FAD  A 501 (-3.4A)
None
None
FAD  A 501 (-3.2A)
 1.35A 5xdxA-6brdA:
0.2
5xdxB-6brdA:
undetectable
5xdxT-6brdA:
undetectable		 5xdxA-6brdA:
undetectable
5xdxB-6brdA:
undetectable
5xdxT-6brdA:
undetectable