SIMILAR PATTERNS OF AMINO ACIDS FOR 5X19_G_CHDG104_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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.18A 5x19G-1k5sB:
0.0
5x19N-1k5sB:
0.8
5x19O-1k5sB:
0.0		 5x19G-1k5sB:
12.50
5x19N-1k5sB:
20.53
5x19O-1k5sB:
17.45
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 174
GLY A 181
GLU A 112
THR A 117
THR A 113
 None
 1.40A 5x19G-2quaA:
0.0
5x19N-2quaA:
0.0
5x19O-2quaA:
0.5		 5x19G-2quaA:
9.09
5x19N-2quaA:
21.91
5x19O-2quaA:
15.42
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 350
GLY A 381
TRP A 351
THR A 435
THR A 434
 None
None
None
None
SO4  A1481 (-4.0A)
 1.37A 5x19G-2xhyA:
0.0
5x19N-2xhyA:
0.0
5x19O-2xhyA:
0.0		 5x19G-2xhyA:
10.37
5x19N-2xhyA:
20.62
5x19O-2xhyA:
18.60
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.
2yzr PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Methanocaldococcus
jannaschii) 		PF01680
(SOR_SNZ)
PF05690
(ThiG) 		5 ARG A 191
PHE A 112
GLN A 108
GLU A 102
THR A  86
 CL  A 506 ( 3.8A)
None
None
None
None
 1.01A 5x19G-2yzrA:
0.0
5x19N-2yzrA:
0.0
5x19O-2yzrA:
0.0		 5x19G-2yzrA:
14.09
5x19N-2yzrA:
20.81
5x19O-2yzrA:
19.47
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 ARG A 230
PHE A 224
GLY A 222
MET A 179
GLU A 170
 None
 1.36A 5x19G-3bt7A:
0.0
5x19N-3bt7A:
0.0
5x19O-3bt7A:
0.0		 5x19G-3bt7A:
13.92
5x19N-3bt7A:
20.94
5x19O-3bt7A:
20.40
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 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.30A 5x19G-3ce6A:
0.0
5x19N-3ce6A:
0.0
5x19O-3ce6A:
0.0		 5x19G-3ce6A:
12.00
5x19N-3ce6A:
22.59
5x19O-3ce6A:
18.09
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ARG A 375
GLY A 484
MET A 402
GLY A 399
THR A 392
 None
 1.44A 5x19G-3cvrA:
0.0
5x19N-3cvrA:
0.0
5x19O-3cvrA:
0.0		 5x19G-3cvrA:
9.07
5x19N-3cvrA:
22.78
5x19O-3cvrA:
18.50
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG A 180
GLY A 313
GLY A 304
GLN A 357
THR A 321
 None
MG  A 427 ( 4.4A)
None
NO3  A5658 (-3.1A)
None
 1.36A 5x19G-3hrdA:
0.0
5x19N-3hrdA:
undetectable
5x19O-3hrdA:
0.0		 5x19G-3hrdA:
12.26
5x19N-3hrdA:
20.89
5x19O-3hrdA:
20.99
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.
3n7t MACROPHAGE BINDING
PROTEIN

(Coccidioides
immitis) 		PF01965
(DJ-1_PfpI) 		5 PHE A  29
GLY A 109
GLY A 220
GLN A 224
THR A 227
 None
None
None
None
EDO  A 244 (-3.7A)
 1.21A 5x19G-3n7tA:
0.0
5x19N-3n7tA:
0.0
5x19O-3n7tA:
0.0		 5x19G-3n7tA:
16.39
5x19N-3n7tA:
17.67
5x19O-3n7tA:
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 PHE A  52
GLY A  51
GLY A  69
GLN A 275
THR A  45
 None
CA  A 340 ( 4.8A)
None
None
None
 1.32A 5x19G-3q3uA:
undetectable
5x19N-3q3uA:
0.0
5x19O-3q3uA:
undetectable		 5x19G-3q3uA:
12.96
5x19N-3q3uA:
22.24
5x19O-3q3uA:
21.70
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 ARG A 137
ARG A 135
PHE A 161
GLY A 184
GLY A  18
 None
 1.10A 5x19G-3s9bA:
undetectable
5x19N-3s9bA:
undetectable
5x19O-3s9bA:
undetectable		 5x19G-3s9bA:
15.53
5x19N-3s9bA:
19.00
5x19O-3s9bA:
21.01
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.
3vbe BETA-CYANOALNINE
SYNTHASE

(Glycine max) 		PF00291
(PALP) 		5 GLY A 239
GLY A 233
GLN A 204
THR A 209
THR A 210
 None
PLP  A 500 (-3.8A)
None
None
None
 1.47A 5x19G-3vbeA:
undetectable
5x19N-3vbeA:
undetectable
5x19O-3vbeA:
undetectable		 5x19G-3vbeA:
14.08
5x19N-3vbeA:
20.77
5x19O-3vbeA:
21.41
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  94
GLY A 214
GLU A 201
THR A 230
THR A 231
 None
 1.40A 5x19G-3wy7A:
undetectable
5x19N-3wy7A:
undetectable
5x19O-3wy7A:
undetectable		 5x19G-3wy7A:
12.93
5x19N-3wy7A:
21.19
5x19O-3wy7A:
19.49
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ARG A 917
PHE A 803
GLY A 804
GLY A1083
GLN A1045
 MTE  A3003 ( 2.9A)
MTE  A3003 (-4.1A)
MOS  A3004 (-2.8A)
MTE  A3003 (-3.6A)
MTE  A3003 (-4.1A)
 1.28A 5x19G-3zyvA:
undetectable
5x19N-3zyvA:
2.2
5x19O-3zyvA:
undetectable		 5x19G-3zyvA:
4.98
5x19N-3zyvA:
18.19
5x19O-3zyvA:
10.10
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ARG A 917
PHE A 803
GLY A 805
GLY A1083
GLN A1045
 MTE  A3003 ( 2.9A)
MTE  A3003 (-4.1A)
None
MTE  A3003 (-3.6A)
MTE  A3003 (-4.1A)
 1.49A 5x19G-3zyvA:
undetectable
5x19N-3zyvA:
2.2
5x19O-3zyvA:
undetectable		 5x19G-3zyvA:
4.98
5x19N-3zyvA:
18.19
5x19O-3zyvA:
10.10
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.
4bm1 MANGANESE PEROXIDASE
4

(Pleurotus
ostreatus) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 PHE A  53
GLY A  52
GLY A  70
GLN A 277
THR A  46
 None
CA  A 401 ( 4.9A)
None
None
HEM  A 500 ( 4.8A)
 1.29A 5x19G-4bm1A:
undetectable
5x19N-4bm1A:
0.7
5x19O-4bm1A:
undetectable		 5x19G-4bm1A:
14.90
5x19N-4bm1A:
20.42
5x19O-4bm1A:
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 PHE A 559
GLY A 552
MET A 566
GLY A 565
THR A 544
 None
 1.38A 5x19G-4cgyA:
undetectable
5x19N-4cgyA:
0.0
5x19O-4cgyA:
undetectable		 5x19G-4cgyA:
9.36
5x19N-4cgyA:
20.21
5x19O-4cgyA:
12.96
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 PHE A 444
GLY A 643
GLY A 597
GLU A 505
THR A 482
 None
 1.30A 5x19G-4cu8A:
undetectable
5x19N-4cu8A:
undetectable
5x19O-4cu8A:
undetectable		 5x19G-4cu8A:
7.93
5x19N-4cu8A:
20.58
5x19O-4cu8A:
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 444
GLY A 643
GLY A 597
THR A 482
THR A 483
 None
 1.44A 5x19G-4cu8A:
undetectable
5x19N-4cu8A:
undetectable
5x19O-4cu8A:
undetectable		 5x19G-4cu8A:
7.93
5x19N-4cu8A:
20.58
5x19O-4cu8A:
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 PHE A  52
GLY A  51
GLY A  63
GLN A 270
THR A  45
 None
CA  A 402 ( 4.7A)
None
None
HEM  A 401 ( 4.9A)
 1.29A 5x19G-4fcsA:
undetectable
5x19N-4fcsA:
undetectable
5x19O-4fcsA:
undetectable		 5x19G-4fcsA:
10.93
5x19N-4fcsA:
19.30
5x19O-4fcsA:
21.74
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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 PHE A 153
GLY A 133
GLY A 242
THR A 175
THR A 176
 None
 1.44A 5x19G-4htlA:
undetectable
5x19N-4htlA:
undetectable
5x19O-4htlA:
undetectable		 5x19G-4htlA:
14.63
5x19N-4htlA:
22.05
5x19O-4htlA:
23.00
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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 PHE A 493
GLY A 492
GLY A 315
THR A 433
THR A 434
 None
 1.19A 5x19G-4j05A:
undetectable
5x19N-4j05A:
0.3
5x19O-4j05A:
undetectable		 5x19G-4j05A:
10.88
5x19N-4j05A:
23.83
5x19O-4j05A:
17.55
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.
4j91 KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ARG A  16
GLY A  13
GLN A 105
THR A  86
THR A  88
 ADP  A 601 (-3.6A)
ADP  A 601 (-3.4A)
None
None
None
 1.50A 5x19G-4j91A:
undetectable
5x19N-4j91A:
undetectable
5x19O-4j91A:
undetectable		 5x19G-4j91A:
15.49
5x19N-4j91A:
17.38
5x19O-4j91A:
23.51
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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		5 GLY A 211
MET A 228
GLY A 229
GLN A 241
THR A 195
 None
 1.22A 5x19G-4ojzA:
undetectable
5x19N-4ojzA:
0.0
5x19O-4ojzA:
undetectable		 5x19G-4ojzA:
10.10
5x19N-4ojzA:
20.50
5x19O-4ojzA:
15.73
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.40A 5x19G-4qdgA:
undetectable
5x19N-4qdgA:
undetectable
5x19O-4qdgA:
undetectable		 5x19G-4qdgA:
13.97
5x19N-4qdgA:
20.49
5x19O-4qdgA:
23.20
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		5 PHE A 362
MET A 408
GLY A 409
GLN A 196
GLU A 391
 ASC  A 501 (-3.4A)
None
None
None
None
 1.39A 5x19G-4rp8A:
undetectable
5x19N-4rp8A:
0.8
5x19O-4rp8A:
undetectable		 5x19G-4rp8A:
13.14
5x19N-4rp8A:
25.09
5x19O-4rp8A:
18.71
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 ARG B  94
PHE B 100
GLY B  92
GLY B  39
THR B  73
 None
 1.19A 5x19G-5gq0B:
undetectable
5x19N-5gq0B:
undetectable
5x19O-5gq0B:
undetectable		 5x19G-5gq0B:
12.46
5x19N-5gq0B:
20.15
5x19O-5gq0B:
18.62
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 PHE A  22
GLY A 519
GLU A 518
THR A  16
THR A 252
 None
 1.44A 5x19G-5yb7A:
undetectable
5x19N-5yb7A:
undetectable
5x19O-5yb7A:
undetectable		 5x19G-5yb7A:
undetectable
5x19N-5yb7A:
undetectable
5x19O-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.
6eua ANGIOPOIETIN-RELATED
PROTEIN 3

(Homo sapiens) 		no annotation 5 GLY A 415
GLY A 291
GLN A 293
GLU A 312
THR A 447
 None
 1.28A 5x19G-6euaA:
undetectable
5x19N-6euaA:
undetectable
5x19O-6euaA:
undetectable		 5x19G-6euaA:
undetectable
5x19N-6euaA:
undetectable
5x19O-6euaA:
undetectable