SIMILAR PATTERNS OF AMINO ACIDS FOR 3SG9_A_KANA304_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.
1pii N-(5'PHOSPHORIBOSYL)
ANTHRANILATE
ISOMERASE

(Escherichia
coli) 		PF00218
(IGPS)
PF00697
(PRAI) 		5 ASP A 187
SER A 165
ASP A 190
GLU A 168
GLU A 169
 None
 1.36A 3sg9A-1piiA:
0.0		 3sg9A-1piiA:
20.13
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.
1sxj ACTIVATOR 1 40 KDA
SUBUNIT
ACTIVATOR 1 41 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08542
(Rep_fac_C)
PF13177
(DNA_pol3_delta2) 		5 ASN D 171
ASP D 227
SER E 183
GLU D  29
GLU E 159
 AGS  D 804 (-3.1A)
None
None
AGS  D 804 (-3.9A)
None
 1.08A 3sg9A-1sxjD:
3.7		 3sg9A-1sxjD:
21.11
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.
2yk0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding)
PF15447
(NTS) 		5 ASN A 184
SER A 191
HIS A 176
GLU A 317
GLU A 321
 None
 1.33A 3sg9A-2yk0A:
0.0		 3sg9A-2yk0A:
16.18
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ASP A 418
SER A 172
GLU A 464
GLU A 470
GLU A 174
 None
None
CA  A1268 (-2.4A)
CA  A1268 (-2.8A)
CA  A1268 (-3.0A)
 1.19A 3sg9A-3a24A:
0.0		 3sg9A-3a24A:
18.24
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 ASP A 192
SER A 194
ASP A 213
TRP A 265
TYR A 272
 LLL  A 500 (-2.8A)
LLL  A 500 (-3.3A)
LLL  A 500 (-3.5A)
LLL  A 500 (-3.8A)
LLL  A 500 ( 4.7A)
 1.32A 3sg9A-3hamA:
32.7		 3sg9A-3hamA:
34.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		8 ASN A  32
ASP A 197
SER A 199
HIS A 202
ASP A 220
GLU A 238
GLU A 239
TRP A 271
 None
 0.65A 3sg9A-3n4tA:
42.8		 3sg9A-3n4tA:
98.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		6 ASN A  32
ASP A 197
SER A 199
HIS A 202
GLU A 238
GLU A 239
 None
 1.38A 3sg9A-3n4tA:
42.8		 3sg9A-3n4tA:
98.67
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 6 ASP A 374
SER A 376
HIS A 379
ASP A 396
GLU A 411
GLU A 416
 GNP  A 500 (-4.6A)
None
MG  A 700 ( 3.2A)
MG  A 702 ( 4.8A)
None
None
 0.43A 3sg9A-6ceyA:
30.7		 3sg9A-6ceyA:
14.38
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 6 ASP A 374
SER A 376
HIS A 379
ASP A 396
GLU A 411
GLU A 416
 GNP  A 500 (-4.6A)
None
MG  A 700 ( 3.2A)
MG  A 702 ( 4.8A)
None
None
 1.46A 3sg9A-6ceyA:
30.7		 3sg9A-6ceyA:
14.38
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 6 ASP A 374
SER A 376
HIS A 379
ASP A 396
GLU A 415
GLU A 416
 GNP  A 500 (-4.6A)
None
MG  A 700 ( 3.2A)
MG  A 702 ( 4.8A)
None
None
 0.91A 3sg9A-6ceyA:
30.7		 3sg9A-6ceyA:
14.38