SIMILAR PATTERNS OF AMINO ACIDS FOR 5W97_B_CHDB303

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
 1.22A 5w97A-1k5sB:
0.1
5w97B-1k5sB:
0.0
5w97g-1k5sB:
0.0		 5w97A-1k5sB:
20.53
5w97B-1k5sB:
17.45
5w97g-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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 GLY A 519
GLN A 555
THR A  66
ARG A 615
GLY A 546
 None
GOL  A1823 (-2.8A)
None
None
None
 1.25A 5w97A-1kb0A:
0.0
5w97B-1kb0A:
0.0
5w97g-1kb0A:
0.0		 5w97A-1kb0A:
20.99
5w97B-1kb0A:
14.18
5w97g-1kb0A:
8.77
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.
2ixb ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Elizabethkingia
meningoseptica) 		PF01408
(GFO_IDH_MocA) 		5 GLY A 229
GLN A 180
THR A 284
THR A 285
GLY A 175
 None
 1.29A 5w97A-2ixbA:
0.0
5w97B-2ixbA:
0.0
5w97g-2ixbA:
0.0		 5w97A-2ixbA:
21.90
5w97B-2ixbA:
18.14
5w97g-2ixbA:
12.26
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		5 GLY A 146
GLU A 148
THR A 255
ARG A 339
GLY A 240
 None
 1.24A 5w97A-2jbwA:
0.0
5w97B-2jbwA:
0.0
5w97g-2jbwA:
0.0		 5w97A-2jbwA:
21.76
5w97B-2jbwA:
21.21
5w97g-2jbwA:
12.40
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 181
GLU A 112
THR A 117
THR A 113
GLY A 174
 None
 1.41A 5w97A-2quaA:
0.0
5w97B-2quaA:
0.0
5w97g-2quaA:
0.0		 5w97A-2quaA:
21.91
5w97B-2quaA:
15.42
5w97g-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 5w97A-2wnbA:
0.0
5w97B-2wnbA:
0.0
5w97g-2wnbA:
0.0		 5w97A-2wnbA:
17.88
5w97B-2wnbA:
18.98
5w97g-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
 1.35A 5w97A-2xhyA:
0.0
5w97B-2xhyA:
0.0
5w97g-2xhyA:
0.0		 5w97A-2xhyA:
20.62
5w97B-2xhyA:
18.60
5w97g-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.
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
 1.34A 5w97A-3bt7A:
0.0
5w97B-3bt7A:
0.0
5w97g-3bt7A:
0.0		 5w97A-3bt7A:
20.94
5w97B-3bt7A:
20.40
5w97g-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.
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
 1.46A 5w97A-3cvrA:
0.0
5w97B-3cvrA:
0.0
5w97g-3cvrA:
0.0		 5w97A-3cvrA:
22.78
5w97B-3cvrA:
18.50
5w97g-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.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 GLY A 257
TRP A 258
THR A 277
ARG A 233
ARG A 288
 None
 1.36A 5w97A-3eagA:
undetectable
5w97B-3eagA:
undetectable
5w97g-3eagA:
undetectable		 5w97A-3eagA:
23.18
5w97B-3eagA:
21.26
5w97g-3eagA:
13.46
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
 1.33A 5w97A-3fgbA:
undetectable
5w97B-3fgbA:
undetectable
5w97g-3fgbA:
undetectable		 5w97A-3fgbA:
20.44
5w97B-3fgbA:
21.47
5w97g-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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 GLY A  50
THR A  46
THR A  27
ARG A  62
GLY A 239
 RIB  A 305 ( 3.7A)
None
None
None
RIB  A 305 ( 4.5A)
 1.25A 5w97A-3go7A:
undetectable
5w97B-3go7A:
undetectable
5w97g-3go7A:
undetectable		 5w97A-3go7A:
19.54
5w97B-3go7A:
18.75
5w97g-3go7A:
14.98
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 GLY A 304
GLN A 357
THR A 321
ARG A 180
GLY A 313
 None
NO3  A5658 (-3.1A)
None
None
MG  A 427 ( 4.4A)
 1.43A 5w97A-3hrdA:
0.0
5w97B-3hrdA:
undetectable
5w97g-3hrdA:
undetectable		 5w97A-3hrdA:
20.89
5w97B-3hrdA:
20.99
5w97g-3hrdA:
12.26
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.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 TRP A 142
THR A 139
THR A 137
ARG A  97
GLY A 118
 None
 1.34A 5w97A-3vn3A:
undetectable
5w97B-3vn3A:
undetectable
5w97g-3vn3A:
undetectable		 5w97A-3vn3A:
18.09
5w97B-3vn3A:
22.58
5w97g-3vn3A:
17.49
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.
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
 1.37A 5w97A-3wy7A:
0.0
5w97B-3wy7A:
undetectable
5w97g-3wy7A:
undetectable		 5w97A-3wy7A:
21.19
5w97B-3wy7A:
19.49
5w97g-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.
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 5w97A-4cgyA:
1.4
5w97B-4cgyA:
undetectable
5w97g-4cgyA:
undetectable		 5w97A-4cgyA:
20.21
5w97B-4cgyA:
12.96
5w97g-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
 1.32A 5w97A-4cu8A:
undetectable
5w97B-4cu8A:
undetectable
5w97g-4cu8A:
undetectable		 5w97A-4cu8A:
20.58
5w97B-4cu8A:
14.29
5w97g-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
 1.44A 5w97A-4cu8A:
undetectable
5w97B-4cu8A:
undetectable
5w97g-4cu8A:
undetectable		 5w97A-4cu8A:
20.58
5w97B-4cu8A:
14.29
5w97g-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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 GLY A 242
THR A 175
THR A 176
PHE A 153
GLY A 133
 None
 1.45A 5w97A-4htlA:
0.0
5w97B-4htlA:
undetectable
5w97g-4htlA:
undetectable		 5w97A-4htlA:
22.05
5w97B-4htlA:
23.00
5w97g-4htlA:
14.63
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
 1.28A 5w97A-4pelB:
undetectable
5w97B-4pelB:
undetectable
5w97g-4pelB:
undetectable		 5w97A-4pelB:
21.29
5w97B-4pelB:
17.12
5w97g-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.
5b5h ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 TRP A 142
THR A 139
THR A 137
ARG A  97
GLY A 118
 None
 1.32A 5w97A-5b5hA:
undetectable
5w97B-5b5hA:
undetectable
5w97g-5b5hA:
undetectable		 5w97A-5b5hA:
21.27
5w97B-5b5hA:
23.11
5w97g-5b5hA:
12.56
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.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		5 GLY A 141
THR A  36
THR A  35
ARG A 202
GLY A 365
 None
ADP  A1432 (-3.5A)
ADP  A1432 (-3.5A)
None
None
 1.33A 5w97A-5ftfA:
undetectable
5w97B-5ftfA:
undetectable
5w97g-5ftfA:
undetectable		 5w97A-5ftfA:
20.85
5w97B-5ftfA:
20.09
5w97g-5ftfA:
10.20
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.
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
 1.48A 5w97A-5kqiA:
0.0
5w97B-5kqiA:
undetectable
5w97g-5kqiA:
undetectable		 5w97A-5kqiA:
20.60
5w97B-5kqiA:
16.18
5w97g-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
 1.49A 5w97A-5u25A:
0.0
5w97B-5u25A:
undetectable
5w97g-5u25A:
undetectable		 5w97A-5u25A:
20.66
5w97B-5u25A:
15.97
5w97g-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.
6fyd PUTATIVE
FAD-DEPENDENT
OXYGENASE ENCM

(Streptomyces
maritimus) 		no annotation 5 GLY A 423
GLN A 457
GLU A 424
THR A 324
GLY A  82
 None
 1.27A 5w97A-6fydA:
undetectable
5w97B-6fydA:
undetectable
5w97g-6fydA:
undetectable		 5w97A-6fydA:
undetectable
5w97B-6fydA:
undetectable
5w97g-6fydA:
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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		5 GLY B 400
GLU B 406
THR B 409
PHE B  93
GLY B  96
 None
 1.38A 5w97A-6reqB:
undetectable
5w97B-6reqB:
undetectable
5w97g-6reqB:
undetectable		 5w97A-6reqB:
22.06
5w97B-6reqB:
16.19
5w97g-6reqB:
8.67