SIMILAR PATTERNS OF AMINO ACIDS FOR 3LSF_B_PZIB800_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.
1j32 ASPARTATE
AMINOTRANSFERASE

(Phormidium
lapideum) 		PF00155
(Aminotran_1_2) 		5 TYR A 366
PRO A 175
MET A 324
ASP A 319
PRO A 122
 None
 1.35A 3lsfB-1j32A:
0.0
3lsfE-1j32A:
undetectable		 3lsfB-1j32A:
22.05
3lsfE-1j32A:
22.05
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.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 TYR A 176
SER A 138
SER A 242
LEU A 147
GLY A 270
 None
 1.38A 3lsfB-1tt7A:
0.3
3lsfE-1tt7A:
0.0		 3lsfB-1tt7A:
23.32
3lsfE-1tt7A:
23.32
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 587
SER A 488
PRO A 590
SER A 218
GLY A 220
 None
 1.44A 3lsfB-3ddrA:
undetectable
3lsfE-3ddrA:
undetectable		 3lsfB-3ddrA:
14.18
3lsfE-3ddrA:
14.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		6 TYR A  35
PRO A 105
MET A 107
SER A 108
SER A 242
LEU A 247
 None
CYZ  A 265 (-3.9A)
None
CYZ  A 265 (-2.8A)
CYZ  A 265 (-2.9A)
CYZ  A 265 (-4.3A)
 0.32A 3lsfB-3h6tA:
43.6
3lsfE-3h6tA:
43.0		 3lsfB-3h6tA:
100.00
3lsfE-3h6tA:
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.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		5 SER A  20
SER A  11
LEU A  10
ASP A   9
GLY A 258
 None
 1.07A 3lsfB-3h74A:
0.0
3lsfE-3h74A:
0.0		 3lsfB-3h74A:
20.74
3lsfE-3h74A:
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.
3ll3 GLUCONATE KINASE

(Lactobacillus
acidophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 TYR A  19
SER A  75
SER A 427
LEU A 430
GLY A 238
 None
None
None
None
XUL  A7778 ( 4.9A)
 1.40A 3lsfB-3ll3A:
0.0
3lsfE-3ll3A:
undetectable		 3lsfB-3ll3A:
19.00
3lsfE-3ll3A:
19.00
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 TYR A 337
SER A 304
LEU A 278
PRO A 299
GLY A 272
 None
FAD  A 669 (-2.5A)
None
None
FAD  A 669 (-3.2A)
 1.49A 3lsfB-3ps9A:
undetectable
3lsfE-3ps9A:
0.0		 3lsfB-3ps9A:
16.34
3lsfE-3ps9A:
16.34
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.
4ghn UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF03572
(Peptidase_S41) 		5 MET A 282
SER A 281
ASP A 335
SER A 331
GLY A 354
 None
 1.45A 3lsfB-4ghnA:
undetectable
3lsfE-4ghnA:
0.0		 3lsfB-4ghnA:
23.41
3lsfE-4ghnA:
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 TYR A 316
LEU A 245
ASP A 246
PRO A 386
GLY A 352
 None
None
ATP  A 502 ( 4.5A)
None
ATP  A 502 (-3.4A)
 1.38A 3lsfB-4gniA:
undetectable
3lsfE-4gniA:
undetectable		 3lsfB-4gniA:
20.43
3lsfE-4gniA:
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		5 PRO A 103
SER A  56
ASP A  98
PRO A 129
GLY A 127
 None
None
None
FMT  A 501 (-4.8A)
FMT  A 501 (-3.4A)
 1.44A 3lsfB-4kv7A:
1.9
3lsfE-4kv7A:
4.0		 3lsfB-4kv7A:
21.58
3lsfE-4kv7A:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wxj GLUTAMATE RECEPTOR
IIB,GLUTAMATE
RECEPTOR IIB

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 TYR A  42
PRO A 112
MET A 114
SER A 248
LEU A 253
 None
 0.53A 3lsfB-4wxjA:
37.3
3lsfE-4wxjA:
37.1		 3lsfB-4wxjA:
41.42
3lsfE-4wxjA:
41.42
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.
4xsv ETHANOLAMINE-PHOSPHA
TE
CYTIDYLYLTRANSFERASE

(Homo sapiens) 		PF01467
(CTP_transf_like) 		5 PRO A 264
MET A 266
ASP A 148
SER A 191
GLY A 189
 None
 1.14A 3lsfB-4xsvA:
undetectable
3lsfE-4xsvA:
undetectable		 3lsfB-4xsvA:
20.35
3lsfE-4xsvA:
20.35
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 TYR A  95
PRO A  29
SER A  31
LEU A  56
SER A  54
 None
 1.49A 3lsfB-5cykA:
undetectable
3lsfE-5cykA:
undetectable		 3lsfB-5cykA:
19.50
3lsfE-5cykA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		7 TYR A 424
PRO A 494
MET A 496
SER A 497
SER A 754
LEU A 759
ASP A 760
 None
 0.50A 3lsfB-5l1bA:
22.4
3lsfE-5l1bA:
22.3		 3lsfB-5l1bA:
70.44
3lsfE-5l1bA:
70.44
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.
5mb9 PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 TYR A 316
LEU A 245
ASP A 246
PRO A 386
GLY A 352
 None
None
ATP  A 700 ( 4.2A)
None
ATP  A 700 (-3.6A)
 1.40A 3lsfB-5mb9A:
undetectable
3lsfE-5mb9A:
undetectable		 3lsfB-5mb9A:
17.78
3lsfE-5mb9A:
17.78
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 SER B  43
LEU B 316
ASP B 315
SER B 311
GLY B  36
 None
 1.40A 3lsfB-5thzB:
undetectable
3lsfE-5thzB:
undetectable		 3lsfB-5thzB:
20.31
3lsfE-5thzB:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		7 TYR A 424
PRO A 494
MET A 496
SER A 497
SER A 754
LEU A 759
ASP A 760
 None
 0.67A 3lsfB-5welA:
32.7
3lsfE-5welA:
32.5		 3lsfB-5welA:
66.93
3lsfE-5welA:
66.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 TYR A 424
PRO A 494
MET A 496
SER A 497
LEU A 759
ASP A 760
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
CYZ  A1302 (-3.8A)
 0.79A 3lsfB-5weoA:
25.2
3lsfE-5weoA:
25.1		 3lsfB-5weoA:
66.93
3lsfE-5weoA:
66.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 TYR A 424
PRO A 494
MET A 496
SER A 754
LEU A 759
ASP A 760
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-4.3A)
CYZ  A1302 ( 4.1A)
None
CYZ  A1302 (-3.8A)
 0.93A 3lsfB-5weoA:
25.2
3lsfE-5weoA:
25.1		 3lsfB-5weoA:
66.93
3lsfE-5weoA:
66.93