SIMILAR PATTERNS OF AMINO ACIDS FOR 5WAU_G_CHDG103

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
 1.22A 5wauG-1k5sB:
0.0
5waua-1k5sB:
0.0
5waub-1k5sB:
0.0		 5wauG-1k5sB:
12.50
5waua-1k5sB:
20.53
5waub-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.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 ARG A 198
GLY A 187
GLY A 190
GLU A 432
THR A 400
 None
 1.47A 5wauG-2v5dA:
0.0
5waua-2v5dA:
2.7
5waub-2v5dA:
0.0		 5wauG-2v5dA:
10.70
5waua-2v5dA:
22.81
5waub-2v5dA:
16.55
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.
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)
 1.31A 5wauG-2xhyA:
0.0
5waua-2xhyA:
0.0
5waub-2xhyA:
0.0		 5wauG-2xhyA:
10.37
5waua-2xhyA:
20.62
5waub-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.
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
 1.40A 5wauG-3bt7A:
0.0
5waua-3bt7A:
0.0
5waub-3bt7A:
0.0		 5wauG-3bt7A:
13.92
5waua-3bt7A:
20.94
5waub-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
 1.45A 5wauG-3ce6A:
0.0
5waua-3ce6A:
0.0
5waub-3ce6A:
0.0		 5wauG-3ce6A:
12.00
5waua-3ce6A:
22.59
5waub-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 5wauG-3cvrA:
0.0
5waua-3cvrA:
0.7
5waub-3cvrA:
0.0		 5wauG-3cvrA:
9.07
5waua-3cvrA:
22.78
5waub-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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 ARG A 112
PHE A 104
GLY A  83
GLY A 153
THR A 129
 None
 1.36A 5wauG-3fgbA:
0.0
5waua-3fgbA:
undetectable
5waub-3fgbA:
0.0		 5wauG-3fgbA:
13.33
5waua-3fgbA:
20.44
5waub-3fgbA:
21.47
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ARG A  41
ARG A  38
GLY A  53
GLY A 285
GLU A 233
 None
 1.27A 5wauG-3hdjA:
0.0
5waua-3hdjA:
0.0
5waub-3hdjA:
0.0		 5wauG-3hdjA:
12.86
5waua-3hdjA:
20.63
5waub-3hdjA:
20.69
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.
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
 1.03A 5wauG-3s9bA:
0.0
5waua-3s9bA:
undetectable
5waub-3s9bA:
0.0		 5wauG-3s9bA:
15.53
5waua-3s9bA:
19.00
5waub-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.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 ARG A  97
GLY A 118
TRP A 142
THR A 139
THR A 137
 None
 1.38A 5wauG-3vn3A:
undetectable
5waua-3vn3A:
undetectable
5waub-3vn3A:
undetectable		 5wauG-3vn3A:
17.49
5waua-3vn3A:
18.09
5waub-3vn3A:
22.58
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
 1.33A 5wauG-3wy7A:
undetectable
5waua-3wy7A:
0.1
5waub-3wy7A:
undetectable		 5wauG-3wy7A:
12.93
5waua-3wy7A:
21.19
5waub-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.
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
 1.40A 5wauG-4cgyA:
undetectable
5waua-4cgyA:
0.0
5waub-4cgyA:
undetectable		 5wauG-4cgyA:
9.36
5waua-4cgyA:
20.21
5waub-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
THR A 482
THR A 483
 None
 1.41A 5wauG-4cu8A:
undetectable
5waua-4cu8A:
undetectable
5waub-4cu8A:
undetectable		 5wauG-4cu8A:
7.93
5waua-4cu8A:
20.58
5waub-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.
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 5wauG-4htlA:
undetectable
5waua-4htlA:
0.1
5waub-4htlA:
undetectable		 5wauG-4htlA:
14.63
5waua-4htlA:
22.05
5waub-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.
4k1x NADPH:FERREDOXIN
REDUCTASE

(Rhodobacter
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ARG A 203
ARG A 195
GLY A 129
THR A  30
THR A  28
 None
 1.47A 5wauG-4k1xA:
undetectable
5waua-4k1xA:
0.2
5waub-4k1xA:
undetectable		 5wauG-4k1xA:
14.74
5waua-4k1xA:
17.84
5waub-4k1xA:
24.55
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.24A 5wauG-4pelB:
undetectable
5waua-4pelB:
1.0
5waub-4pelB:
undetectable		 5wauG-4pelB:
9.81
5waua-4pelB:
21.29
5waub-4pelB:
17.12
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 5wauG-4qdgA:
undetectable
5waua-4qdgA:
undetectable
5waub-4qdgA:
undetectable		 5wauG-4qdgA:
13.97
5waua-4qdgA:
20.49
5waub-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.
5b5h ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 ARG A  97
GLY A 118
TRP A 142
THR A 139
THR A 137
 None
 1.37A 5wauG-5b5hA:
undetectable
5waua-5b5hA:
undetectable
5waub-5b5hA:
undetectable		 5wauG-5b5hA:
12.56
5waua-5b5hA:
21.27
5waub-5b5hA:
23.11
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 534
MET A 543
GLY A 541
GLU A 478
THR A 475
 None
 1.49A 5wauG-5u25A:
undetectable
5waua-5u25A:
undetectable
5waub-5u25A:
undetectable		 5wauG-5u25A:
9.34
5waua-5u25A:
20.66
5waub-5u25A:
15.97