SIMILAR PATTERNS OF AMINO ACIDS FOR 1XID_A_ASCA389_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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		6 HIS A 100
TRP A 187
GLU A 231
GLU A 267
HIS A 270
ASP A 295
 None
None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 491 ( 3.1A)
 1.37A 1xidA-1a0cA:
39.9		 1xidA-1a0cA:
28.82
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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		9 TRP A  48
HIS A 100
PHE A 144
TRP A 187
GLU A 231
GLU A 267
HIS A 270
ASP A 295
ASP A 338
 None
None
None
None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 491 ( 3.1A)
CO  A 491 ( 3.1A)
 0.31A 1xidA-1a0cA:
39.9		 1xidA-1a0cA:
28.82
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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		6 HIS A  98
TRP A 185
GLU A 229
GLU A 265
HIS A 268
ASP A 293
 None
None
MN  A 491 ( 2.4A)
MN  A 492 ( 2.3A)
MN  A 492 (-4.2A)
MN  A 491 ( 3.4A)
 1.39A 1xidA-1a0dA:
39.8		 1xidA-1a0dA:
27.68
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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		9 TRP A  47
HIS A  98
PHE A 142
TRP A 185
GLU A 229
GLU A 265
HIS A 268
ASP A 293
ASP A 336
 None
None
None
None
MN  A 491 ( 2.4A)
MN  A 492 ( 2.3A)
MN  A 492 (-4.2A)
MN  A 491 ( 3.4A)
MN  A 491 ( 3.1A)
 0.39A 1xidA-1a0dA:
39.8		 1xidA-1a0dA:
27.68
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.
1a0e XYLOSE ISOMERASE

(Thermotoga
neapolitana) 		PF01261
(AP_endonuc_2) 		6 HIS A 100
TRP A 187
GLU A 231
GLU A 267
HIS A 270
ASP A 295
 None
None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 491 ( 3.2A)
 1.37A 1xidA-1a0eA:
41.4		 1xidA-1a0eA:
28.57
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.
1a0e XYLOSE ISOMERASE

(Thermotoga
neapolitana) 		PF01261
(AP_endonuc_2) 		9 TRP A  48
HIS A 100
PHE A 144
TRP A 187
GLU A 231
GLU A 267
HIS A 270
ASP A 295
ASP A 338
 None
None
None
None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 491 ( 3.2A)
CO  A 491 ( 3.0A)
 0.36A 1xidA-1a0eA:
41.4		 1xidA-1a0eA:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		9 TRP A  16
HIS A  54
PHE A  94
TRP A 137
GLU A 181
GLU A 217
ASP A 245
ASP A 292
LYS A 294
 None
 0.32A 1xidA-1bhwA:
57.7		 1xidA-1bhwA:
66.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bxc XYLOSE ISOMERASE

(Thermus
caldophilus) 		PF01261
(AP_endonuc_2) 		5 HIS A  53
TRP A 136
GLU A 216
HIS A 219
ASP A 286
 None
 1.47A 1xidA-1bxcA:
53.5		 1xidA-1bxcA:
58.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bxc XYLOSE ISOMERASE

(Thermus
caldophilus) 		PF01261
(AP_endonuc_2) 		9 TRP A  15
HIS A  53
PHE A  93
TRP A 136
GLU A 180
GLU A 216
HIS A 219
ASP A 244
ASP A 286
 None
 0.29A 1xidA-1bxcA:
53.5		 1xidA-1bxcA:
58.76
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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		5 PHE A 144
TRP A 193
GLU A 234
ASP A 267
ASP A 334
 None
RNS  A1462 (-3.2A)
ZN  A 450 ( 2.4A)
ZN  A 450 (-3.0A)
RNS  A1462 ( 3.0A)
 1.41A 1xidA-1de6A:
27.3		 1xidA-1de6A:
25.37
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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		7 TRP A  48
HIS A 103
PHE A 144
TRP A 193
GLU A 234
HIS A 270
ASP A 334
 RNS  A1462 ( 4.1A)
RNS  A1462 (-4.4A)
None
RNS  A1462 (-3.2A)
ZN  A 450 ( 2.4A)
RNS  A1462 ( 3.5A)
RNS  A1462 ( 3.0A)
 0.79A 1xidA-1de6A:
27.3		 1xidA-1de6A:
25.37
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 TRP A 555
HIS A 356
GLU A 414
GLU A 460
HIS A 416
 None
 1.40A 1xidA-3decA:
3.7		 1xidA-3decA:
15.77
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		6 TRP A  14
TRP A 126
GLU A 166
HIS A 204
ASP A 229
ASP A 270
 UNL  A 337 ( 3.9A)
UNL  A 337 ( 3.7A)
FE  A 334 (-2.6A)
FE  A 333 (-3.3A)
FE  A 334 (-3.1A)
FE  A 334 (-2.9A)
 0.51A 1xidA-3ktcA:
36.4		 1xidA-3ktcA:
27.34
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.
3p14 L-RHAMNOSE ISOMERASE

(Bacillus
halodurans) 		PF06134
(RhaA) 		7 TRP A  38
HIS A  93
PHE A 135
TRP A 184
GLU A 225
HIS A 261
ASP A 325
 None
 0.70A 1xidA-3p14A:
27.5		 1xidA-3p14A:
24.73
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.
4gji L-RHAMNOSE ISOMERASE

(Pseudomonas
stutzeri) 		no annotation 6 TRP A  57
PHE A 131
TRP A 179
GLU A 219
HIS A 257
ASP A 327
 RNS  A1001 (-3.5A)
None
RNS  A1001 (-3.3A)
MN  A1003 ( 2.6A)
MN  A1004 ( 3.4A)
RNS  A1001 ( 2.8A)
 0.36A 1xidA-4gjiA:
34.2		 1xidA-4gjiA:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xia D-XYLOSE ISOMERASE

(Arthrobacter
sp. NRRL B3728) 		PF01261
(AP_endonuc_2) 		10 TRP A  15
HIS A  53
PHE A  93
TRP A 136
GLU A 180
GLU A 216
HIS A 219
ASP A 244
ASP A 292
LYS A 294
 SOR  A 400 (-4.0A)
SOR  A 400 (-4.0A)
SOR  A 400 ( 4.9A)
SOR  A 400 (-3.8A)
MG  A 399 ( 2.5A)
MG  A 399 ( 2.8A)
SOR  A 400 (-4.1A)
MG  A 399 ( 3.1A)
SOR  A 400 ( 2.7A)
None
 0.27A 1xidA-4xiaA:
57.6		 1xidA-4xiaA:
65.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xia D-XYLOSE ISOMERASE

(Arthrobacter
sp. NRRL B3728) 		PF01261
(AP_endonuc_2) 		5 TRP A 136
GLU A 180
GLU A 216
HIS A 219
ASP A 244
 SOR  A 400 (-3.8A)
MG  A 399 ( 2.5A)
MG  A 399 ( 2.8A)
SOR  A 400 (-4.1A)
MG  A 399 ( 3.1A)
 1.29A 1xidA-4xiaA:
57.6		 1xidA-4xiaA:
65.06
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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 6 HIS A 103
TRP A 190
GLU A 234
GLU A 270
HIS A 273
ASP A 298
 None
None
MN  A 501 (-2.5A)
MN  A 502 ( 2.5A)
MN  A 502 (-4.2A)
MN  A 501 (-3.2A)
 1.45A 1xidA-4xkmA:
40.0		 1xidA-4xkmA:
28.69
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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 9 TRP A  51
HIS A 103
PHE A 147
TRP A 190
GLU A 234
GLU A 270
HIS A 273
ASP A 298
ASP A 341
 None
None
None
None
MN  A 501 (-2.5A)
MN  A 502 ( 2.5A)
MN  A 502 (-4.2A)
MN  A 501 (-3.2A)
MN  A 501 (-3.1A)
 0.34A 1xidA-4xkmA:
40.0		 1xidA-4xkmA:
28.69
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 5 HIS A 102
TRP A 189
GLU A 269
HIS A 272
ASP A 297
 None
None
FE2  A 502 ( 2.3A)
FE2  A 502 (-3.6A)
FE2  A 501 (-3.0A)
 1.42A 1xidA-5nhbA:
40.7		 1xidA-5nhbA:
29.14
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 9 TRP A  50
HIS A 102
PHE A 146
TRP A 189
GLU A 233
GLU A 269
HIS A 272
ASP A 297
ASP A 340
 None
None
None
None
FE2  A 501 (-2.2A)
FE2  A 502 ( 2.3A)
FE2  A 502 (-3.6A)
FE2  A 501 (-3.0A)
FE2  A 501 ( 3.2A)
 0.35A 1xidA-5nhbA:
40.7		 1xidA-5nhbA:
29.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		10 TRP A  16
HIS A  54
PHE A  94
TRP A 137
GLU A 181
GLU A 217
HIS A 220
ASP A 245
ASP A 287
LYS A 289
 XYL  A 402 (-4.1A)
XYL  A 402 (-3.8A)
XYL  A 402 ( 4.9A)
XYL  A 402 (-3.8A)
XYL  A 402 ( 2.4A)
MG  A 401 ( 2.8A)
XYL  A 402 (-4.2A)
MG  A 401 ( 3.0A)
XYL  A 402 ( 2.9A)
None
 0.24A 1xidA-5y4jA:
60.5		 1xidA-5y4jA:
99.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		5 TRP A 137
GLU A 181
GLU A 217
HIS A 220
ASP A 245
 XYL  A 402 (-3.8A)
XYL  A 402 ( 2.4A)
MG  A 401 ( 2.8A)
XYL  A 402 (-4.2A)
MG  A 401 ( 3.0A)
 1.28A 1xidA-5y4jA:
60.5		 1xidA-5y4jA:
99.48
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 TRP A 548
HIS A 334
GLU A 393
GLU A 441
HIS A 395
 None
 1.41A 1xidA-6etzA:
3.4		 1xidA-6etzA:
undetectable