SIMILAR PATTERNS OF AMINO ACIDS FOR 3X2Q_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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 548
GLY A 546
GLU A 483
THR A 480
GLY A 539
 None
 1.48A 3x2qA-1bhyA:
0.0
3x2qB-1bhyA:
0.0
3x2qT-1bhyA:
0.0		 3x2qA-1bhyA:
20.07
3x2qB-1bhyA:
18.46
3x2qT-1bhyA:
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.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 172
GLN A 170
THR A 437
PHE A 206
GLY A 207
 None
 1.43A 3x2qA-1d2eA:
0.0
3x2qB-1d2eA:
0.0
3x2qT-1d2eA:
0.0		 3x2qA-1d2eA:
21.96
3x2qB-1d2eA:
19.61
3x2qT-1d2eA:
12.20
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.
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
 1.22A 3x2qA-1k5sB:
0.0
3x2qB-1k5sB:
0.0
3x2qT-1k5sB:
0.0		 3x2qA-1k5sB:
20.53
3x2qB-1k5sB:
17.45
3x2qT-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)
 1.14A 3x2qA-1wk4A:
undetectable
3x2qB-1wk4A:
0.0
3x2qT-1wk4A:
0.0		 3x2qA-1wk4A:
14.65
3x2qB-1wk4A:
21.15
3x2qT-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)
 1.45A 3x2qA-1zr6A:
0.0
3x2qB-1zr6A:
0.0
3x2qT-1zr6A:
0.0		 3x2qA-1zr6A:
21.86
3x2qB-1zr6A:
17.47
3x2qT-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
 1.26A 3x2qA-2gskA:
undetectable
3x2qB-2gskA:
0.0
3x2qT-2gskA:
0.0		 3x2qA-2gskA:
21.56
3x2qB-2gskA:
14.48
3x2qT-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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 MET A 107
GLY A 108
THR A 187
ARG A 138
GLY A 158
 None
 1.34A 3x2qA-2pqdA:
0.0
3x2qB-2pqdA:
0.0
3x2qT-2pqdA:
0.0		 3x2qA-2pqdA:
22.22
3x2qB-2pqdA:
18.30
3x2qT-2pqdA:
11.01
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.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 GLY A 190
GLU A 432
THR A 400
ARG A 198
GLY A 187
 None
 1.44A 3x2qA-2v5dA:
3.3
3x2qB-2v5dA:
0.0
3x2qT-2v5dA:
0.0		 3x2qA-2v5dA:
22.81
3x2qB-2v5dA:
16.55
3x2qT-2v5dA:
10.70
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.
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)
 1.50A 3x2qA-2wnbA:
0.0
3x2qB-2wnbA:
0.0
3x2qT-2wnbA:
0.0		 3x2qA-2wnbA:
17.88
3x2qB-2wnbA:
18.98
3x2qT-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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 381
TRP A 351
THR A 435
THR A 434
GLY A 350
 None
None
None
SO4  A1481 (-4.0A)
None
 1.38A 3x2qA-2xhyA:
0.0
3x2qB-2xhyA:
undetectable
3x2qT-2xhyA:
undetectable		 3x2qA-2xhyA:
20.62
3x2qB-2xhyA:
18.60
3x2qT-2xhyA:
10.37
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.
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
 1.30A 3x2qA-3al8A:
undetectable
3x2qB-3al8A:
undetectable
3x2qT-3al8A:
undetectable		 3x2qA-3al8A:
21.01
3x2qB-3al8A:
17.63
3x2qT-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
 1.40A 3x2qA-3bt7A:
0.0
3x2qB-3bt7A:
undetectable
3x2qT-3bt7A:
undetectable		 3x2qA-3bt7A:
20.94
3x2qB-3bt7A:
20.40
3x2qT-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
 1.40A 3x2qA-3ce6A:
0.0
3x2qB-3ce6A:
undetectable
3x2qT-3ce6A:
undetectable		 3x2qA-3ce6A:
22.59
3x2qB-3ce6A:
18.09
3x2qT-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
 1.43A 3x2qA-3cvrA:
2.3
3x2qB-3cvrA:
undetectable
3x2qT-3cvrA:
undetectable		 3x2qA-3cvrA:
22.78
3x2qB-3cvrA:
18.50
3x2qT-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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 GLY A 285
GLU A 233
ARG A  41
ARG A  38
GLY A  53
 None
 1.25A 3x2qA-3hdjA:
undetectable
3x2qB-3hdjA:
undetectable
3x2qT-3hdjA:
undetectable		 3x2qA-3hdjA:
20.63
3x2qB-3hdjA:
20.69
3x2qT-3hdjA:
12.86
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.
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 3x2qA-3hn0A:
undetectable
3x2qB-3hn0A:
undetectable
3x2qT-3hn0A:
undetectable		 3x2qA-3hn0A:
19.48
3x2qB-3hn0A:
21.92
3x2qT-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
 1.42A 3x2qA-3j4uA:
undetectable
3x2qB-3j4uA:
undetectable
3x2qT-3j4uA:
undetectable		 3x2qA-3j4uA:
21.07
3x2qB-3j4uA:
21.30
3x2qT-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.
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
 1.01A 3x2qA-3s9bA:
undetectable
3x2qB-3s9bA:
undetectable
3x2qT-3s9bA:
undetectable		 3x2qA-3s9bA:
19.00
3x2qB-3s9bA:
21.01
3x2qT-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
 1.09A 3x2qA-3wrcA:
undetectable
3x2qB-3wrcA:
undetectable
3x2qT-3wrcA:
undetectable		 3x2qA-3wrcA:
22.00
3x2qB-3wrcA:
17.69
3x2qT-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
 1.34A 3x2qA-3wy7A:
0.0
3x2qB-3wy7A:
undetectable
3x2qT-3wy7A:
undetectable		 3x2qA-3wy7A:
21.19
3x2qB-3wy7A:
19.49
3x2qT-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
 1.33A 3x2qA-3zytA:
undetectable
3x2qB-3zytA:
undetectable
3x2qT-3zytA:
undetectable		 3x2qA-3zytA:
20.15
3x2qB-3zytA:
20.27
3x2qT-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
 1.47A 3x2qA-4cgyA:
2.0
3x2qB-4cgyA:
undetectable
3x2qT-4cgyA:
undetectable		 3x2qA-4cgyA:
20.21
3x2qB-4cgyA:
12.96
3x2qT-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
THR A 482
THR A 483
PHE A 444
GLY A 643
 None
 1.40A 3x2qA-4cu8A:
undetectable
3x2qB-4cu8A:
undetectable
3x2qT-4cu8A:
undetectable		 3x2qA-4cu8A:
20.58
3x2qB-4cu8A:
14.29
3x2qT-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.
4k1x NADPH:FERREDOXIN
REDUCTASE

(Rhodobacter
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLY A 129
THR A  30
THR A  28
ARG A 203
ARG A 195
 None
 1.50A 3x2qA-4k1xA:
undetectable
3x2qB-4k1xA:
undetectable
3x2qT-4k1xA:
undetectable		 3x2qA-4k1xA:
17.84
3x2qB-4k1xA:
24.55
3x2qT-4k1xA:
14.74
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.
4k3y NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 GLN A 226
THR A 239
ARG A 406
PHE A 277
GLY A 291
 None
 1.23A 3x2qA-4k3yA:
undetectable
3x2qB-4k3yA:
undetectable
3x2qT-4k3yA:
undetectable		 3x2qA-4k3yA:
21.72
3x2qB-4k3yA:
20.77
3x2qT-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
 1.47A 3x2qA-4llsA:
0.6
3x2qB-4llsA:
undetectable
3x2qT-4llsA:
undetectable		 3x2qA-4llsA:
20.31
3x2qB-4llsA:
22.93
3x2qT-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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.33A 3x2qA-4qdgA:
undetectable
3x2qB-4qdgA:
undetectable
3x2qT-4qdgA:
undetectable		 3x2qA-4qdgA:
20.49
3x2qB-4qdgA:
23.20
3x2qT-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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 GLY A 190
GLU A 432
THR A 400
ARG A 198
GLY A 187
 None
 1.41A 3x2qA-4zxlA:
3.4
3x2qB-4zxlA:
undetectable
3x2qT-4zxlA:
undetectable		 3x2qA-4zxlA:
22.36
3x2qB-4zxlA:
18.15
3x2qT-4zxlA:
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.
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
 1.50A 3x2qA-5kqiA:
undetectable
3x2qB-5kqiA:
undetectable
3x2qT-5kqiA:
undetectable		 3x2qA-5kqiA:
20.60
3x2qB-5kqiA:
16.18
3x2qT-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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 543
GLY A 541
GLU A 478
THR A 475
GLY A 534
 None
 1.46A 3x2qA-5u25A:
0.7
3x2qB-5u25A:
undetectable
3x2qT-5u25A:
undetectable		 3x2qA-5u25A:
20.66
3x2qB-5u25A:
15.97
3x2qT-5u25A:
9.34
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 GLY A 506
GLN A 689
THR A 707
THR A 731
ARG A 658
 None
None
None
None
CL  A 801 (-3.1A)
 1.25A 3x2qA-5u47A:
undetectable
3x2qB-5u47A:
undetectable
3x2qT-5u47A:
undetectable		 3x2qA-5u47A:
20.61
3x2qB-5u47A:
15.46
3x2qT-5u47A:
8.76
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.
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
 1.44A 3x2qA-5yb7A:
undetectable
3x2qB-5yb7A:
undetectable
3x2qT-5yb7A:
undetectable		 3x2qA-5yb7A:
undetectable
3x2qB-5yb7A:
undetectable
3x2qT-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   9
GLN A  98
GLU A 102
THR A  37
GLY A 152
 FAD  A 501 ( 4.9A)
FAD  A 501 (-3.4A)
None
None
FAD  A 501 (-3.2A)
 1.43A 3x2qA-6brdA:
0.5
3x2qB-6brdA:
undetectable
3x2qT-6brdA:
undetectable		 3x2qA-6brdA:
undetectable
3x2qB-6brdA:
undetectable
3x2qT-6brdA:
undetectable