SIMILAR PATTERNS OF AMINO ACIDS FOR 5IQE_A_NMYA600_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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		5 ASP A 283
SER A 320
GLU A 308
TYR A 271
GLU A 266
 None
 1.28A 5iqeA-1ua7A:
2.2		 5iqeA-1ua7A:
21.30
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 315
ASP A 141
GLU A 288
GLU A 294
TYR A 291
 None
 1.21A 5iqeA-3a2fA:
1.2		 5iqeA-3a2fA:
18.09
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 315
ASP A 141
TYR A 311
GLU A 288
GLU A 294
 None
 1.47A 5iqeA-3a2fA:
1.2		 5iqeA-3a2fA:
18.09
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.
3at7 ALGINATE-BINDING
FLAGELLIN

(Sphingomonas
sp. A1) 		PF09375
(Peptidase_M75) 		5 ASP A 140
TYR A  78
GLU A  82
GLU A 178
GLU A  79
 None
 1.21A 5iqeA-3at7A:
1.8		 5iqeA-3at7A:
19.06
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.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 ZMR  A 469 ( 4.6A)
None
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.5A)
 1.47A 5iqeA-3ckzA:
0.0		 5iqeA-3ckzA:
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.
3nrh UNCHARACTERIZED
PROTEIN BF1032

(Bacteroides
fragilis) 		PF16702
(DUF5063) 		5 ASP A 118
ASP A 115
TYR A  76
GLU A  77
GLU A  73
 None
 1.46A 5iqeA-3nrhA:
1.9		 5iqeA-3nrhA:
21.86
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.
3q4d POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE
MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 320
ASP A 133
SER A  49
GLU A 296
GLU A 216
 DAL  A2472 (-3.0A)
None
None
None
MG  A1602 (-3.1A)
 1.37A 5iqeA-3q4dA:
0.0		 5iqeA-3q4dA:
21.00
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.
3tdw GENTAMICIN
RESISTANCE PROTEIN

(Enterococcus
gallinarum) 		PF01636
(APH) 		5 ASP A 196
SER A 198
ASP A 221
TYR A 233
TYR A 273
 None
None
MG  A 503 ( 4.7A)
None
None
 1.01A 5iqeA-3tdwA:
27.4		 5iqeA-3tdwA:
27.79
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 LNV  A 901 ( 4.6A)
None
LNV  A 901 (-3.6A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-3.4A)
 1.47A 5iqeA-3ti8A:
0.0		 5iqeA-3ti8A:
22.33
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.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 G39  A 509 ( 4.5A)
None
G39  A 509 (-3.3A)
G39  A 509 ( 4.0A)
None
 1.48A 5iqeA-4hzzA:
0.9		 5iqeA-4hzzA:
22.03
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		5 ASP A  42
SER A 130
GLU A  88
SER A  86
GLU A  35
 None
 1.46A 5iqeA-4r27A:
0.0		 5iqeA-4r27A:
20.28
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 ASP A 147
SER A 145
ASP A 305
TYR A 300
GLU A 255
 ZN  A 902 (-1.8A)
None
ZN  A 901 (-2.2A)
None
None
 1.09A 5iqeA-5gz4A:
0.0		 5iqeA-5gz4A:
16.73
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.
5lz6 3A
GOLGI RESIDENT
PROTEIN GCP60

(Aichivirus B;
Homo sapiens) 		PF13897
(GOLD_2)
no annotation 		5 SER B  13
ASP B  16
TYR A 525
SER A 393
GLU B  22
 None
 1.36A 5iqeA-5lz6B:
undetectable		 5iqeA-5lz6B:
11.52
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.
5oqm GENERAL
TRANSCRIPTION AND
DNA REPAIR FACTOR
IIH HELICASE SUBUNIT
XPB

(Saccharomyces
cerevisiae) 		no annotation 5 ASP 7 728
SER 7 707
GLU 7 556
GLU 7 683
GLU 7 520
 None
 1.46A 5iqeA-5oqm7:
undetectable		 5iqeA-5oqm7:
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 ASP A  39
SER A  37
ASP A 199
TYR A 194
SER A 139
 ZN  A 501 (-2.0A)
None
ZN  A 502 (-2.3A)
None
None
 1.17A 5iqeA-5udyA:
0.6		 5iqeA-5udyA:
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.
6bck N49P7 FAB HEAVY
CHAIN OF N29P7 IGG
N49P7 FAB LIGHT
CHAIN FROM N49P7 IGG

(Homo sapiens) 		no annotation 5 ASP H 144
SER H 120
GLU L 124
SER L 121
GLU L 160
 None
 1.45A 5iqeA-6bckH:
undetectable		 5iqeA-6bckH:
9.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 9 ASP A 374
SER A 376
ASP A 396
TYR A 408
GLU A 411
SER A 413
GLU A 416
TYR A 448
GLU A 451
 GNP  A 500 (-4.6A)
None
MG  A 702 ( 4.8A)
None
None
None
None
None
None
 0.27A 5iqeA-6ceyA:
44.0		 5iqeA-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 ASP A 393
TYR A 408
GLU A 411
SER A 413
GLU A 415
GLU A 416
 MG  A 702 (-1.7A)
None
None
None
None
None
 1.40A 5iqeA-6ceyA:
44.0		 5iqeA-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 SER A 376
TYR A 408
GLU A 411
SER A 413
GLU A 416
GLU A 445
 None
 0.73A 5iqeA-6ceyA:
44.0		 5iqeA-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 TYR A 408
GLU A 411
SER A 413
GLU A 415
GLU A 416
GLU A 445
 None
 0.95A 5iqeA-6ceyA:
44.0		 5iqeA-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 7 TYR A 408
GLU A 411
SER A 413
GLU A 415
GLU A 416
TYR A 448
GLU A 451
 None
 0.73A 5iqeA-6ceyA:
44.0		 5iqeA-6ceyA:
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.
6f2t -

(-) 		no annotation 5 ASP A 168
SER A 166
ASP A 326
TYR A 321
SER A 269
 ZN  A1002 (-2.0A)
None
ZN  A1003 ( 2.1A)
None
None
 1.17A 5iqeA-6f2tA:
undetectable		 5iqeA-6f2tA:
undetectable