SIMILAR PATTERNS OF AMINO ACIDS FOR 6B50_A_OAQA302_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.
1a59 CITRATE SYNTHASE

(Antarctic
bacterium
DS2-3R) 		PF00285
(Citrate_synt) 		5 LEU A 153
VAL A 172
VAL A 173
MET A 330
THR A 326
 None
 1.44A 6b50A-1a59A:
0.0		 6b50A-1a59A:
20.54
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.
2gza TYPE IV SECRETION
SYSTEM PROTEIN
VIRB11

(Brucella suis) 		PF00437
(T2SSE) 		5 LEU A 257
VAL A 180
PHE A 269
SER A 280
THR A 292
 None
 1.35A 6b50A-2gzaA:
0.9		 6b50A-2gzaA:
20.38
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.
2hsz NOVEL PREDICTED
PHOSPHATASE

(Histophilus
somni) 		PF13419
(HAD_2) 		5 LEU A 147
VAL A 116
VAL A 117
ASP A 180
THR A  14
 None
 1.30A 6b50A-2hszA:
1.4		 6b50A-2hszA:
22.71
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 PRO A 184
MET A 186
VAL A 150
VAL A 151
ASP A  88
 None
KCX  A 154 ( 3.9A)
None
None
None
 1.47A 6b50A-2icsA:
0.4		 6b50A-2icsA:
20.31
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.
2qlv CARBON CATABOLITE
DEREPRESSING PROTEIN
KINASE
NUCLEAR PROTEIN SNF4

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF16579
(AdenylateSensor)
PF00571
(CBS) 		5 LEU A 470
VAL C 235
ASP C 240
PHE C 268
SER A 473
 None
 1.49A 6b50A-2qlvA:
undetectable		 6b50A-2qlvA:
22.75
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.
2vmj DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
xylosoxidans) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 MET A  44
LEU A  53
VAL A 210
VAL A 205
THR A 214
 None
None
EPE  A1331 ( 4.6A)
None
None
 1.36A 6b50A-2vmjA:
undetectable		 6b50A-2vmjA:
22.92
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.
3dra PROTEIN
FARNESYLTRANSFERASE/
GERANYLGERANYLTRANSF
ERASE TYPE-1 SUBUNIT
ALPHA
GERANYLGERANYLTRANSF
ERASE TYPE I BETA
SUBUNIT

(Candida
albicans;
Candida
albicans) 		PF01239
(PPTA)
PF00432
(Prenyltrans) 		5 PRO B 255
LEU B 258
VAL B 252
PHE A 259
SER A 258
 None
 1.33A 6b50A-3draB:
undetectable		 6b50A-3draB:
23.08
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.
3ea0 ATPASE, PARA FAMILY

(Chlorobaculum
tepidum) 		PF13614
(AAA_31) 		5 PRO A  91
ASP A  58
LEU A  59
VAL A  98
SER A  63
 None
 1.41A 6b50A-3ea0A:
2.7		 6b50A-3ea0A:
23.91
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.
3n6x PUTATIVE
GLUTATHIONYLSPERMIDI
NE SYNTHASE

(Methylobacillus
flagellatus) 		PF14403
(CP_ATPgrasp_2) 		5 PRO A 295
ASP A 282
LEU A 284
VAL A 258
VAL A 253
 None
 1.19A 6b50A-3n6xA:
undetectable		 6b50A-3n6xA:
19.62
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		5 LEU A 245
VAL A 303
VAL A 273
PHE A 236
MET A 334
 None
None
None
1ZZ  A   1 ( 4.3A)
None
 1.43A 6b50A-3pbkA:
undetectable		 6b50A-3pbkA:
17.58
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.
3tis PROTEIN YRDA

(Escherichia
coli) 		PF00132
(Hexapep) 		5 MET A  65
LEU A  95
VAL A  31
VAL A  52
ASP A  48
 None
 1.26A 6b50A-3tisA:
undetectable		 6b50A-3tisA:
21.24
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.
4aaj N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Pyrococcus
furiosus) 		PF00697
(PRAI) 		5 LEU A 144
VAL A 179
VAL A 158
SER A 147
MET A   1
 None
 1.41A 6b50A-4aajA:
undetectable		 6b50A-4aajA:
23.57
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.
4hi4 AEROTAXIS TRANSDUCER
AER2

(Pseudomonas
aeruginosa) 		PF13188
(PAS_8) 		5 HIS A 234
LEU A 243
VAL A 281
VAL A 266
MET A 187
 HEM  A 301 ( 3.6A)
HEM  A 301 ( 3.7A)
HEM  A 301 (-4.1A)
HEM  A 301 ( 4.5A)
HEM  A 301 (-2.8A)
 1.20A 6b50A-4hi4A:
undetectable		 6b50A-4hi4A:
17.70
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.
4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 PRO A  77
LEU A  81
VAL A 114
VAL A  91
MET A 358
 None
 1.07A 6b50A-4j16A:
undetectable		 6b50A-4j16A:
21.33
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.
4m6w FANCONI
ANEMIA-ASSOCIATED
PROTEIN OF 24 KDA

(Homo sapiens) 		PF12826
(HHH_2) 		5 ASP B  65
LEU B  66
VAL B  90
VAL B  91
SER B  97
 None
 1.34A 6b50A-4m6wB:
undetectable		 6b50A-4m6wB:
23.69
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.
4uxd 2-DEHYDRO-3-DEOXY-D-
GLUCONATE/2-DEHYDRO-
3-DEOXY-PHOSPHOGLUCO
NATE ALDOLASE

(Picrophilus
torridus) 		PF00701
(DHDPS) 		5 LEU A 193
VAL A 201
ASP A 160
PHE A 168
SER A 192
 None
GOL  A1275 ( 4.1A)
GOL  A1282 ( 4.9A)
None
None
 1.41A 6b50A-4uxdA:
undetectable		 6b50A-4uxdA:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 7 PRO A  16
HIS A  37
ASP A  91
LEU A  92
VAL A 127
VAL A 128
THR A 234
 OAQ  A 302 (-4.4A)
OAQ  A 302 ( 4.6A)
OAQ  A 302 (-2.7A)
OAQ  A 302 (-4.0A)
OAQ  A 302 (-4.9A)
OAQ  A 302 (-4.0A)
None
 1.32A 6b50A-5bykA:
44.2		 6b50A-5bykA:
99.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 6 PRO A  16
HIS A  37
MET A  38
ASP A  91
LEU A  92
SER A 160
 OAQ  A 302 (-4.4A)
OAQ  A 302 ( 4.6A)
OAQ  A 302 (-4.3A)
OAQ  A 302 (-2.7A)
OAQ  A 302 (-4.0A)
None
 1.49A 6b50A-5bykA:
44.2		 6b50A-5bykA:
99.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 11 PRO A  16
HIS A  37
MET A  38
ASP A  91
LEU A  92
VAL A 127
VAL A 128
ASP A 144
PHE A 153
MET A 233
THR A 237
 OAQ  A 302 (-4.4A)
OAQ  A 302 ( 4.6A)
OAQ  A 302 (-4.3A)
OAQ  A 302 (-2.7A)
OAQ  A 302 (-4.0A)
OAQ  A 302 (-4.9A)
OAQ  A 302 (-4.0A)
OAQ  A 302 (-3.3A)
OAQ  A 302 ( 4.8A)
None
OAQ  A 302 (-3.8A)
 0.26A 6b50A-5bykA:
44.2		 6b50A-5bykA:
99.61
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.
5fol LEUCYL-TRNA
SYNTHETASE

(Cryptosporidium
muris) 		no annotation 5 PRO A 303
LEU A 302
ASP A 433
SER A 413
THR A 297
 None
None
SO8  A1544 (-2.7A)
None
None
 1.35A 6b50A-5folA:
undetectable		 6b50A-5folA:
21.92
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.
5hdf HYDROLASE

(Streptomyces
flocculus) 		no annotation 5 PRO B 309
ASP B 308
LEU B 310
ASP B 270
MET B 262
 None
 1.28A 6b50A-5hdfB:
1.7		 6b50A-5hdfB:
22.38
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.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 ASP A  96
LEU A  95
VAL A 313
ASP A 309
THR A 241
 None
None
None
EDO  A 406 (-3.6A)
EDO  A 406 (-3.7A)
 1.26A 6b50A-5td3A:
undetectable		 6b50A-5td3A:
20.73
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.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 MET A  99
ASP A  96
LEU A  95
ASP A 309
THR A 241
 None
None
None
EDO  A 406 (-3.6A)
EDO  A 406 (-3.7A)
 1.45A 6b50A-5td3A:
undetectable		 6b50A-5td3A:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 6 PRO A  31
HIS A  52
ASP A 100
LEU A 101
VAL A 137
THR A 243
 OAQ  A 302 (-4.7A)
OAQ  A 302 ( 4.9A)
OAQ  A 302 (-2.5A)
OAQ  A 302 ( 4.1A)
OAQ  A 302 (-4.0A)
None
 1.10A 6b50A-5tiwA:
39.7		 6b50A-5tiwA:
75.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 12 PRO A  31
HIS A  52
MET A  53
ASP A 100
LEU A 101
VAL A 136
VAL A 137
ASP A 153
PHE A 162
SER A 166
MET A 242
THR A 246
 OAQ  A 302 (-4.7A)
OAQ  A 302 ( 4.9A)
OAQ  A 302 (-4.5A)
OAQ  A 302 (-2.5A)
OAQ  A 302 ( 4.1A)
None
OAQ  A 302 (-4.0A)
OAQ  A 302 (-3.1A)
OAQ  A 302 (-4.6A)
OAQ  A 302 (-3.5A)
OAQ  A 302 ( 4.0A)
OAQ  A 302 (-3.5A)
 0.51A 6b50A-5tiwA:
39.7		 6b50A-5tiwA:
75.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum) 		no annotation 6 PRO A  16
HIS A  37
ASP A  87
VAL A 123
VAL A 124
THR A 230
 None
 1.26A 6b50A-5tizA:
35.2		 6b50A-5tizA:
57.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum) 		no annotation 9 PRO A  16
HIS A  37
MET A  38
ASP A  87
LEU A  88
VAL A 123
VAL A 124
PHE A 149
THR A 233
 None
 0.52A 6b50A-5tizA:
35.2		 6b50A-5tizA:
57.72