SIMILAR PATTERNS OF AMINO ACIDS FOR 3PGY_B_GLYB511_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.
1cii COLICIN IA

(Escherichia
coli) 		PF01024
(Colicin)
PF11504
(Colicin_Ia) 		4 GLU A 477
LEU A 474
GLN A 473
LYS A 470
 None
 0.86A 3pgyB-1ciiA:
0.0		 3pgyB-1ciiA:
20.80
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		4 GLU A 250
LEU A 247
GLN A 246
LYS A 243
 None
 0.86A 3pgyB-1gz5A:
1.5		 3pgyB-1gz5A:
21.68
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.
1nh2 TRANSCRIPTION
INITIATION FACTOR
IIA LARGE CHAIN

(Saccharomyces
cerevisiae) 		PF03153
(TFIIA) 		4 GLU B  32
LEU B  35
GLN B  36
LYS B  39
 None
 0.80A 3pgyB-1nh2B:
undetectable		 3pgyB-1nh2B:
9.40
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		4 SER A  90
GLU A 104
LEU A  99
GLN A 102
 None
 1.45A 3pgyB-1u71A:
2.1		 3pgyB-1u71A:
19.44
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.
1um8 ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLPX

(Helicobacter
pylori) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLU A 390
LEU A 387
GLN A 386
LYS A 382
 None
 1.25A 3pgyB-1um8A:
0.0		 3pgyB-1um8A:
23.41
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.
1xe0 NUCLEOPHOSMIN

(Xenopus laevis) 		PF03066
(Nucleoplasmin) 		4 SER A  15
GLU A  95
LEU A 118
GLN A  43
 None
 1.23A 3pgyB-1xe0A:
undetectable		 3pgyB-1xe0A:
15.14
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.
2c3n GLUTATHIONE
S-TRANSFERASE THETA
1

(Homo sapiens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 SER A 109
GLU A 173
LEU A 106
GLN A 102
 None
 1.30A 3pgyB-2c3nA:
0.0		 3pgyB-2c3nA:
20.43
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		5 SER A 461
GLU A 467
LEU A 463
GLN A 464
LYS A 357
 None
 1.01A 3pgyB-2o36A:
0.0		 3pgyB-2o36A:
20.32
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.
3cwg SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 3

(Mus musculus) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 SER A 269
GLU A 145
LEU A 148
GLN A 149
 None
 1.21A 3pgyB-3cwgA:
0.0		 3pgyB-3cwgA:
22.13
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.
3gr8 NADPH DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00724
(Oxidored_FMN) 		4 SER A   7
GLU A 293
LEU A 296
GLN A 297
 None
 1.07A 3pgyB-3gr8A:
1.9		 3pgyB-3gr8A:
21.96
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.
3jq3 LOMBRICINE KINASE

(Urechis caupo) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 GLU A 351
LEU A 289
GLN A 288
LYS A 291
 None
 1.34A 3pgyB-3jq3A:
undetectable		 3pgyB-3jq3A:
23.15
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		4 SER A 136
GLU A 183
LEU A 180
GLN A 179
 None
 1.41A 3pgyB-3ogzA:
undetectable		 3pgyB-3ogzA:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		4 SER A 334
GLU A 391
LEU A 394
LYS A 398
 None
 0.59A 3pgyB-3pgyA:
66.2		 3pgyB-3pgyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		4 SER A 334
LEU A 394
GLN A 395
LYS A 398
 None
 0.89A 3pgyB-3pgyA:
66.2		 3pgyB-3pgyA:
100.00
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.
3tr5 PEPTIDE CHAIN
RELEASE FACTOR 3

(Coxiella
burnetii) 		PF00009
(GTP_EFTU)
PF16658
(RF3_C) 		4 GLU A 418
LEU A 415
GLN A 414
LYS A 410
 None
None
CA  A 526 (-3.1A)
None
 1.35A 3pgyB-3tr5A:
1.5		 3pgyB-3tr5A:
23.50
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		4 SER B 575
GLU B 550
LEU B 547
GLN B 546
 None
 0.88A 3pgyB-3u44B:
undetectable		 3pgyB-3u44B:
16.70
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		4 GLU A 226
LEU A 229
GLN A 230
LYS A 233
 None
 0.45A 3pgyB-4b3gA:
undetectable		 3pgyB-4b3gA:
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.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		4 SER A  46
GLU A 247
LEU A 244
GLN A 243
 None
 0.95A 3pgyB-4p1cA:
undetectable		 3pgyB-4p1cA:
22.10
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.
4pxj C-JUN-AMINO-TERMINAL
KINASE-INTERACTING
PROTEIN 3

(Homo sapiens) 		PF16471
(JIP_LZII) 		4 GLU A 454
LEU A 451
GLN A 450
LYS A 447
 None
 1.15A 3pgyB-4pxjA:
undetectable		 3pgyB-4pxjA:
11.63
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.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 SER A 289
GLU A 349
LEU A 352
GLN A 353
 None
 1.19A 3pgyB-4woeA:
1.1		 3pgyB-4woeA:
20.74
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.
5h3g PUTATIVE ACYL-COA
BINDING PROTEIN
(ACBP)

(Oryza sativa) 		PF00887
(ACBP) 		4 GLU A  85
LEU A  82
GLN A  81
LYS A  78
 None
 1.23A 3pgyB-5h3gA:
undetectable		 3pgyB-5h3gA:
13.51
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.
5hsz NUCLEOID OCCLUSION
FACTOR SLMA

(Klebsiella
pneumoniae) 		PF00440
(TetR_N) 		4 SER A  61
GLU A  13
LEU A  16
GLN A  17
 None
 1.41A 3pgyB-5hszA:
undetectable		 3pgyB-5hszA:
19.76
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.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 4 SER B 363
GLU B 298
LEU B 335
LYS B 310
 None
 1.47A 3pgyB-5hzgB:
undetectable		 3pgyB-5hzgB:
19.62
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 SER A 502
GLU A 456
GLN A 460
LYS A 463
 None
GOL  A 704 (-2.8A)
None
None
 1.20A 3pgyB-5no8A:
undetectable		 3pgyB-5no8A:
20.26
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.
5v38 HCHA

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 SER A 912
LEU A 906
GLN A 905
LYS A 895
 None
 1.36A 3pgyB-5v38A:
undetectable		 3pgyB-5v38A:
21.32
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.
6bni LYSINE--TRNA LIGASE

(Cryptosporidium
parvum) 		no annotation 4 GLU A 474
LEU A 476
GLN A 477
LYS A 480
 None
 1.41A 3pgyB-6bniA:
1.7		 3pgyB-6bniA:
undetectable