SIMILAR PATTERNS OF AMINO ACIDS FOR 3ZQE_B_DXCB1079_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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 PRO A 493
SER A 499
THR A 460
LEU A 518
GLN A 362
 None
 1.47A 3zqeA-1qgdA:
0.0
3zqeB-1qgdA:
0.0		 3zqeA-1qgdA:
19.40
3zqeB-1qgdA:
19.40
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.
1qmh RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Escherichia
coli) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 GLN A 104
THR A 105
LEU A  24
ARG A  40
GLN A  18
 None
None
None
CIT  A 401 (-3.6A)
None
 1.42A 3zqeA-1qmhA:
undetectable
3zqeB-1qmhA:
0.0		 3zqeA-1qmhA:
22.84
3zqeB-1qmhA:
22.84
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 PRO A 181
GLN A 123
THR A 122
LEU A 125
GLN A 132
 None
 1.42A 3zqeA-2ahwA:
0.0
3zqeB-2ahwA:
0.0		 3zqeA-2ahwA:
20.15
3zqeB-2ahwA:
20.15
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.
2fgq OUTER MEMBRANE PORIN
PROTEIN 32

(Delftia
acidovorans) 		PF13609
(Porin_4) 		5 SER X 186
THR X 102
LEU X 101
TYR X 104
SER X 184
 None
MLT  X 700 (-2.9A)
None
None
None
 1.45A 3zqeA-2fgqX:
0.0
3zqeB-2fgqX:
undetectable		 3zqeA-2fgqX:
22.99
3zqeB-2fgqX:
22.99
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.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 5 PRO A 216
THR A 247
LEU A 222
TYR A 227
GLN A 271
 None
 1.44A 3zqeA-2jdxA:
0.0
3zqeB-2jdxA:
0.0		 3zqeA-2jdxA:
21.53
3zqeB-2jdxA:
21.53
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.
2r26 CITRATE SYNTHASE

(Thermoplasma
acidophilum) 		PF00285
(Citrate_synt) 		5 PRO A 190
SER A 192
GLN A  51
THR A 185
GLN A 349
 OAA  A 501 (-4.0A)
OAA  A 501 ( 4.9A)
None
None
None
 1.44A 3zqeA-2r26A:
0.0
3zqeB-2r26A:
0.0		 3zqeA-2r26A:
21.77
3zqeB-2r26A:
21.77
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.
2x7l FAB LIGHT CHAIN

(unidentified) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR B  99
LEU B   2
TYR B  97
TYR B  92
SER B  28
 None
 1.33A 3zqeA-2x7lB:
0.0
3zqeB-2x7lB:
0.0		 3zqeA-2x7lB:
25.16
3zqeB-2x7lB:
25.16
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 PRO W 696
SER W 706
THR W 798
LEU W 799
TYR W 760
 None
 1.26A 3zqeA-3iylW:
0.0
3zqeB-3iylW:
0.0		 3zqeA-3iylW:
12.97
3zqeB-3iylW:
12.97
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 PRO A 208
THR A 212
LEU A 211
ARG A 243
SER A 149
 None
 1.15A 3zqeA-3rj8A:
0.0
3zqeB-3rj8A:
0.0		 3zqeA-3rj8A:
21.09
3zqeB-3rj8A:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zqb PROTEIN PRGI, CELL
INVASION PROTEIN
SIPD

(Salmonella
enterica) 		PF06511
(IpaD)
PF09392
(T3SS_needle_F) 		5 GLN A  24
THR A  28
LEU A  31
TYR A  47
TYR A  54
 None
 0.38A 3zqeA-3zqbA:
36.9
3zqeB-3zqbA:
27.5		 3zqeA-3zqbA:
100.00
3zqeB-3zqbA:
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.
4b60 FIBRONECTIN-BINDING
PROTEIN A

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 LYS A 232
GLN A 328
THR A 323
LEU A 324
TYR A 229
 None
 1.46A 3zqeA-4b60A:
undetectable
3zqeB-4b60A:
undetectable		 3zqeA-4b60A:
22.45
3zqeB-4b60A:
22.45
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.
4h7m ENDO-1,4-BETA-GLUCAN
ASE

(Trichoderma
harzianum) 		PF01670
(Glyco_hydro_12) 		5 LYS A 180
GLN A 162
LEU A 124
TYR A 155
ARG A 187
 None
 1.47A 3zqeA-4h7mA:
undetectable
3zqeB-4h7mA:
undetectable		 3zqeA-4h7mA:
20.26
3zqeB-4h7mA:
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 5 PRO D 165
SER D 166
GLN D 404
TYR D 402
SER D 228
 None
 1.28A 3zqeA-4jf7D:
undetectable
3zqeB-4jf7D:
undetectable		 3zqeA-4jf7D:
21.53
3zqeB-4jf7D:
21.53
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.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Escherichia
coli) 		PF02733
(Dak1) 		5 PRO A 350
GLN A  92
THR A  27
LEU A  26
TYR A  34
 None
 1.26A 3zqeA-4lryA:
undetectable
3zqeB-4lryA:
undetectable		 3zqeA-4lryA:
21.52
3zqeB-4lryA:
21.52
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 PRO A 513
SER A 510
THR A 518
TYR A 508
ARG A 557
 None
 1.41A 3zqeA-4o9xA:
undetectable
3zqeB-4o9xA:
undetectable		 3zqeA-4o9xA:
9.35
3zqeB-4o9xA:
9.35
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.
4x90 GROUP XV
PHOSPHOLIPASE A2

(Homo sapiens) 		PF02450
(LCAT) 		5 PRO A 196
SER A 165
GLN A 227
THR A 233
LEU A 236
 MPD  A 409 ( 4.7A)
MPD  A 409 (-3.5A)
MPD  A 408 ( 4.3A)
MPD  A 409 ( 4.7A)
MPD  A 409 (-4.8A)
 1.49A 3zqeA-4x90A:
undetectable
3zqeB-4x90A:
undetectable		 3zqeA-4x90A:
22.53
3zqeB-4x90A:
22.53
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 PRO A 474
SER A 738
THR A 571
LEU A 570
TYR A 554
 None
None
HEC  A 905 (-3.7A)
HEC  A 905 (-4.1A)
None
 1.25A 3zqeA-5c2vA:
undetectable
3zqeB-5c2vA:
undetectable		 3zqeA-5c2vA:
17.24
3zqeB-5c2vA:
17.24
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.
5c5b DCC-INTERACTING
PROTEIN 13-BETA

(Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3) 		5 SER B 178
GLN B  18
LEU B  23
TYR B 182
GLN B  14
 None
 1.30A 3zqeA-5c5bB:
5.5
3zqeB-5c5bB:
3.1		 3zqeA-5c5bB:
22.22
3zqeB-5c5bB:
22.22
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.
5ghs SSDNA-SPECIFIC
EXONUCLEASE

(Thermococcus
kodakarensis) 		PF02272
(DHHA1) 		5 LYS A 252
GLN A 209
LEU A 207
TYR A 213
ARG A 202
 None
 1.42A 3zqeA-5ghsA:
undetectable
3zqeB-5ghsA:
0.0		 3zqeA-5ghsA:
21.02
3zqeB-5ghsA:
21.02
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 LYS A 251
GLN A 208
LEU A 206
TYR A 212
ARG A 201
 None
 1.44A 3zqeA-5x4jA:
undetectable
3zqeB-5x4jA:
undetectable		 3zqeA-5x4jA:
undetectable
3zqeB-5x4jA:
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.
5x8z PENICILLIN V
ACYLASE-LIKE PROTEIN

(Shewanella
loihica) 		no annotation 5 SER A  78
THR A  12
LEU A 283
ARG A  16
GLN A 280
 None
 1.24A 3zqeA-5x8zA:
undetectable
3zqeB-5x8zA:
undetectable		 3zqeA-5x8zA:
undetectable
3zqeB-5x8zA:
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 5 PRO A 143
GLN A 110
LEU A 165
TYR A 171
SER A 140
 None
 1.37A 3zqeA-6bv2A:
2.2
3zqeB-6bv2A:
0.0		 3zqeA-6bv2A:
undetectable
3zqeB-6bv2A:
undetectable