SIMILAR PATTERNS OF AMINO ACIDS FOR 3HAV_C_SRYC403_1

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.
1m0w GLUTATHIONE
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 ASN A 230
ASP A 233
SER A 441
ASP A 486
TYR A 446
 3GC  A 501 (-3.8A)
None
None
None
None
 1.43A 3havC-1m0wA:
0.4		 3havC-1m0wA:
21.79
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		5 ASN A 309
ASP A 308
SER A 219
SER A  35
ASP A  32
 None
 1.42A 3havC-2h6tA:
undetectable		 3havC-2h6tA:
21.25
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.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ASP A 154
SER A 155
SER A 232
ASP A 170
TYR A 118
 None
None
FE  A 501 ( 3.8A)
FE  A 501 ( 2.3A)
None
 1.33A 3havC-2ohhA:
0.0		 3havC-2ohhA:
20.63
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ASN A 309
ASP A 308
SER A 219
SER A  35
ASP A  32
 None
 1.50A 3havC-2qzwA:
undetectable		 3havC-2qzwA:
22.55
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.
2vl8 CYTOTOXIN L

(Paeniclostridium
sordellii) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 ASN A  61
ASP A  57
ASN A  53
SER A 488
ASP A 442
 None
 1.36A 3havC-2vl8A:
0.6		 3havC-2vl8A:
21.12
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.
2zb3 PROSTAGLANDIN
REDUCTASE 2

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 SER A 140
ASP A 230
CYH A 167
ASP A  49
TYR A 265
 None
None
NDP  A 900 (-3.5A)
None
None
 1.48A 3havC-2zb3A:
0.1		 3havC-2zb3A:
19.68
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.
2zb4 PROSTAGLANDIN
REDUCTASE 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 SER A 140
ASP A 230
CYH A 167
ASP A  49
TYR A 265
 None
None
NAP  A 500 (-3.6A)
None
None
 1.44A 3havC-2zb4A:
0.0		 3havC-2zb4A:
21.43
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 ASN A 545
ASP A 222
ASN A  52
SER A 719
ASN A1217
 None
6MO  A1247 (-2.1A)
MGD  A1246 ( 3.6A)
MD1  A1245 (-3.0A)
MD1  A1245 (-3.0A)
 1.27A 3havC-3egwA:
1.2		 3havC-3egwA:
12.44
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.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASN A 307
ASP A 306
SER A 221
SER A  35
ASP A  32
 None
 1.44A 3havC-3fv3A:
0.0		 3havC-3fv3A:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		10 ASN A 191
ASP A 192
SER A 194
ASN A 196
CYH A 225
SER A 230
ASP A 232
ASN A 261
ASP A 262
TRP A 265
 GOL  A 301 (-4.9A)
LLL  A 500 (-2.8A)
LLL  A 500 (-3.3A)
LLL  A 500 (-3.3A)
GOL  A 301 (-3.4A)
LLL  A 500 (-2.8A)
LLL  A 500 (-3.3A)
GOL  A 301 (-3.3A)
LLL  A 500 (-3.7A)
LLL  A 500 (-3.8A)
 0.70A 3havC-3hamA:
37.4		 3havC-3hamA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		6 ASN A 197
CYH A 225
ASN A 261
ASP A 262
TRP A 265
TYR A 272
 None
GOL  A 301 (-3.4A)
GOL  A 301 (-3.3A)
LLL  A 500 (-3.7A)
LLL  A 500 (-3.8A)
LLL  A 500 ( 4.7A)
 1.14A 3havC-3hamA:
37.4		 3havC-3hamA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		5 ASN A 221
ASN A 197
CYH A 225
TRP A 265
TYR A 272
 None
None
GOL  A 301 (-3.4A)
LLL  A 500 (-3.8A)
LLL  A 500 ( 4.7A)
 1.33A 3havC-3hamA:
37.4		 3havC-3hamA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		7 ASN A 221
SER A 194
CYH A 225
SER A 230
ASP A 232
TRP A 265
TYR A 272
 None
LLL  A 500 (-3.3A)
GOL  A 301 (-3.4A)
LLL  A 500 (-2.8A)
LLL  A 500 (-3.3A)
LLL  A 500 (-3.8A)
LLL  A 500 ( 4.7A)
 1.37A 3havC-3hamA:
37.4		 3havC-3hamA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		10 ASP A 192
SER A 194
ASN A 196
CYH A 225
SER A 230
ASP A 232
ASN A 261
ASP A 262
TRP A 265
TYR A 272
 LLL  A 500 (-2.8A)
LLL  A 500 (-3.3A)
LLL  A 500 (-3.3A)
GOL  A 301 (-3.4A)
LLL  A 500 (-2.8A)
LLL  A 500 (-3.3A)
GOL  A 301 (-3.3A)
LLL  A 500 (-3.7A)
LLL  A 500 (-3.8A)
LLL  A 500 ( 4.7A)
 0.79A 3havC-3hamA:
37.4		 3havC-3hamA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		7 ASP A 213
CYH A 225
SER A 230
ASN A 261
ASP A 262
TRP A 265
TYR A 272
 LLL  A 500 (-3.5A)
GOL  A 301 (-3.4A)
LLL  A 500 (-2.8A)
GOL  A 301 (-3.3A)
LLL  A 500 (-3.7A)
LLL  A 500 (-3.8A)
LLL  A 500 ( 4.7A)
 1.06A 3havC-3hamA:
37.4		 3havC-3hamA:
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.
3lif PUTATIVE DIGUANYLATE
CYCLASE (GGDEF) WITH
PAS/PAC DOMAIN

(Rhodopseudomonas
palustris) 		PF02743
(dCache_1) 		5 SER A 170
ASP A 111
SER A 138
ASN A 134
ASP A 136
 None
MPD  A   1 ( 4.3A)
None
None
None
 1.38A 3havC-3lifA:
undetectable		 3havC-3lifA:
21.05
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ASN A 343
ASP A 347
ASP A 390
ASP A 178
TYR A 481
 None
 1.26A 3havC-3sdqA:
undetectable		 3havC-3sdqA:
17.84
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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASN A 302
ASP A 301
SER A 212
SER A  35
ASP A  32
 None
 1.46A 3havC-4y9wA:
undetectable		 3havC-4y9wA:
22.25
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ASN B1114
SER B 927
ASP B1011
ASP B 947
TYR B1026
 None
 1.39A 3havC-4zktB:
1.4		 3havC-4zktB:
14.32
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.
5gk2 KETOSYNTHASE STLD

(Photorhabdus
laumondii) 		PF08541
(ACP_syn_III_C) 		5 ASN A  45
SER A 304
ASN A 337
SER A 369
ASN A 270
 None
 1.24A 3havC-5gk2A:
undetectable		 3havC-5gk2A:
19.57
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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		5 ASN A 243
ASP A 157
ASP A 168
SER A 445
TYR A 412
 None
 1.39A 3havC-5jqkA:
undetectable		 3havC-5jqkA:
20.21
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		5 ASP A 155
SER A 154
ASN A  34
ASP A 116
ASN A  67
 CA  A 501 (-3.3A)
None
None
None
None
 1.04A 3havC-5ldtA:
0.1		 3havC-5ldtA:
20.42
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 ASN A 373
ASP A 374
SER A 376
ASN A 378
SER A 413
 None
GNP  A 500 (-4.6A)
None
None
None
 1.11A 3havC-6ceyA:
17.1		 3havC-6ceyA:
15.82