SIMILAR PATTERNS OF AMINO ACIDS FOR 5W97_B_CHDB301

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.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 MET A 119
GLY A 117
GLN A 132
THR A 163
THR A 256
 None
 1.46A 5w97G-1hc7A:
0.0
5w97a-1hc7A:
0.0
5w97b-1hc7A:
0.0		 5w97G-1hc7A:
11.28
5w97a-1hc7A:
21.21
5w97b-1hc7A:
18.01
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.
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
 1.21A 5w97G-1k5sB:
0.0
5w97a-1k5sB:
0.1
5w97b-1k5sB:
0.0		 5w97G-1k5sB:
12.50
5w97a-1k5sB:
20.53
5w97b-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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT

(Thauera
aromatica;
Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00111
(Fer2)
PF01799
(Fer2_2) 		5 ARG A 358
GLY A 243
GLY A 484
GLN C  99
THR C  98
 PCD  A1920 (-3.8A)
PCD  A1920 (-3.4A)
PCD  A1920 (-3.7A)
PCD  A1920 ( 4.0A)
None
 1.41A 5w97G-1sb3A:
0.0
5w97a-1sb3A:
0.0
5w97b-1sb3A:
0.0		 5w97G-1sb3A:
7.68
5w97a-1sb3A:
22.04
5w97b-1sb3A:
15.64
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.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 ARG A 153
GLY A 147
GLY A 214
THR A 226
THR A 227
 None
 1.48A 5w97G-2cdqA:
0.0
5w97a-2cdqA:
0.9
5w97b-2cdqA:
0.0		 5w97G-2cdqA:
9.92
5w97a-2cdqA:
22.15
5w97b-2cdqA:
20.65
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.
2d42 NON-TOXIC CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 GLY A  93
GLY A 123
GLN A  89
THR A 228
THR A 168
 None
 1.20A 5w97G-2d42A:
0.0
5w97a-2d42A:
undetectable
5w97b-2d42A:
0.0		 5w97G-2d42A:
14.80
5w97a-2d42A:
20.24
5w97b-2d42A:
22.30
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		5 ARG A 339
GLY A 240
GLY A 146
GLU A 148
THR A 255
 None
 1.19A 5w97G-2jbwA:
0.0
5w97a-2jbwA:
0.0
5w97b-2jbwA:
0.0		 5w97G-2jbwA:
12.40
5w97a-2jbwA:
21.76
5w97b-2jbwA:
21.21
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 5w97G-2quaA:
0.0
5w97a-2quaA:
0.0
5w97b-2quaA:
0.0		 5w97G-2quaA:
9.09
5w97a-2quaA:
21.91
5w97b-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)
 1.38A 5w97G-2xhyA:
0.0
5w97a-2xhyA:
0.0
5w97b-2xhyA:
0.0		 5w97G-2xhyA:
10.37
5w97a-2xhyA:
20.62
5w97b-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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		5 ARG A 494
GLY A 496
GLN A 472
THR A 450
THR A 446
 None
 1.39A 5w97G-3ahiA:
undetectable
5w97a-3ahiA:
0.0
5w97b-3ahiA:
undetectable		 5w97G-3ahiA:
7.35
5w97a-3ahiA:
20.30
5w97b-3ahiA:
13.60
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
 1.35A 5w97G-3bt7A:
undetectable
5w97a-3bt7A:
undetectable
5w97b-3bt7A:
undetectable		 5w97G-3bt7A:
13.92
5w97a-3bt7A:
20.94
5w97b-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.
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
 1.46A 5w97G-3cvrA:
undetectable
5w97a-3cvrA:
0.2
5w97b-3cvrA:
undetectable		 5w97G-3cvrA:
9.07
5w97a-3cvrA:
22.78
5w97b-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.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 ARG A 233
ARG A 288
GLY A 257
TRP A 258
THR A 277
 None
 1.32A 5w97G-3eagA:
undetectable
5w97a-3eagA:
undetectable
5w97b-3eagA:
undetectable		 5w97G-3eagA:
13.46
5w97a-3eagA:
23.18
5w97b-3eagA:
21.26
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
 1.37A 5w97G-3fgbA:
undetectable
5w97a-3fgbA:
undetectable
5w97b-3fgbA:
undetectable		 5w97G-3fgbA:
13.33
5w97a-3fgbA:
20.44
5w97b-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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 ARG A 137
GLY A 275
GLY A 199
GLN A 202
THR A 203
 None
 1.30A 5w97G-3hn0A:
undetectable
5w97a-3hn0A:
undetectable
5w97b-3hn0A:
undetectable		 5w97G-3hn0A:
15.47
5w97a-3hn0A:
19.48
5w97b-3hn0A:
21.92
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.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 ARG A  97
GLY A 118
TRP A 142
THR A 139
THR A 137
 None
 1.37A 5w97G-3vn3A:
undetectable
5w97a-3vn3A:
undetectable
5w97b-3vn3A:
undetectable		 5w97G-3vn3A:
17.49
5w97a-3vn3A:
18.09
5w97b-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
 1.34A 5w97G-3wy7A:
undetectable
5w97a-3wy7A:
0.0
5w97b-3wy7A:
undetectable		 5w97G-3wy7A:
12.93
5w97a-3wy7A:
21.19
5w97b-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
 1.45A 5w97G-4cgyA:
undetectable
5w97a-4cgyA:
1.4
5w97b-4cgyA:
undetectable		 5w97G-4cgyA:
9.36
5w97a-4cgyA:
20.21
5w97b-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
 1.28A 5w97G-4cu8A:
undetectable
5w97a-4cu8A:
undetectable
5w97b-4cu8A:
undetectable		 5w97G-4cu8A:
7.93
5w97a-4cu8A:
20.58
5w97b-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
 1.40A 5w97G-4cu8A:
undetectable
5w97a-4cu8A:
undetectable
5w97b-4cu8A:
undetectable		 5w97G-4cu8A:
7.93
5w97a-4cu8A:
20.58
5w97b-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
 1.45A 5w97G-4htlA:
undetectable
5w97a-4htlA:
0.0
5w97b-4htlA:
undetectable		 5w97G-4htlA:
14.63
5w97a-4htlA:
22.05
5w97b-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.
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
 1.28A 5w97G-4pelB:
undetectable
5w97a-4pelB:
undetectable
5w97b-4pelB:
undetectable		 5w97G-4pelB:
9.81
5w97a-4pelB:
21.29
5w97b-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 5w97G-4qdgA:
undetectable
5w97a-4qdgA:
undetectable
5w97b-4qdgA:
undetectable		 5w97G-4qdgA:
13.97
5w97a-4qdgA:
20.49
5w97b-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
 1.34A 5w97G-5b5hA:
undetectable
5w97a-5b5hA:
undetectable
5w97b-5b5hA:
undetectable		 5w97G-5b5hA:
12.56
5w97a-5b5hA:
21.27
5w97b-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.
5o32 COMPLEMENT FACTOR I

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00530
(SRCR) 		5 ARG D 167
PHE D 159
GLY D 162
GLY D 232
GLN D 217
 None
 1.15A 5w97G-5o32D:
undetectable
5w97a-5o32D:
undetectable
5w97b-5o32D:
undetectable		 5w97G-5o32D:
12.73
5w97a-5o32D:
17.95
5w97b-5o32D:
17.48
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 5 ARG A 208
PHE A 132
GLY A 123
THR A 147
THR A 138
 None
 1.22A 5w97G-6ax8A:
undetectable
5w97a-6ax8A:
1.0
5w97b-6ax8A:
undetectable		 5w97G-6ax8A:
undetectable
5w97a-6ax8A:
undetectable
5w97b-6ax8A:
undetectable