SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIM_D_SORD397

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) 		7 THR A 140
VAL A 185
TRP A 187
GLU A 231
GLU A 267
HIS A 270
ASP A 308
 None
None
None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 492 ( 2.4A)
 1.34A 5ximD-1a0cA:
38.8		 5ximD-1a0cA:
27.25
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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		11 TRP A  48
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338
 None
None
None
None
CO  A 491 ( 2.4A)
None
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 491 ( 3.1A)
CO  A 492 ( 1.9A)
CO  A 491 ( 3.1A)
 0.48A 5ximD-1a0cA:
38.8		 5ximD-1a0cA:
27.25
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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		5 TRP A 187
LYS A 233
GLU A 267
HIS A 270
ASP A 308
 None
None
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 492 ( 2.4A)
 1.49A 5ximD-1a0cA:
38.8		 5ximD-1a0cA:
27.25
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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		5 THR A 138
GLU A 229
GLU A 265
ASP A 306
ASP A 293
 None
MN  A 491 ( 2.4A)
MN  A 492 ( 2.3A)
MN  A 492 ( 2.8A)
MN  A 491 ( 3.4A)
 1.45A 5ximD-1a0dA:
38.8		 5ximD-1a0dA:
26.86
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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		5 THR A 138
VAL A 183
GLU A 229
GLU A 265
ASP A 306
 None
None
MN  A 491 ( 2.4A)
MN  A 492 ( 2.3A)
MN  A 492 ( 2.8A)
 1.26A 5ximD-1a0dA:
38.8		 5ximD-1a0dA:
26.86
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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		11 TRP A  47
THR A 138
VAL A 183
TRP A 185
GLU A 229
LYS A 231
GLU A 265
HIS A 268
ASP A 293
ASP A 304
ASP A 336
 None
None
None
None
MN  A 491 ( 2.4A)
MN  A 492 ( 4.8A)
MN  A 492 ( 2.3A)
MN  A 492 (-4.2A)
MN  A 491 ( 3.4A)
MN  A 492 ( 3.2A)
MN  A 491 ( 3.1A)
 0.50A 5ximD-1a0dA:
38.8		 5ximD-1a0dA:
26.86
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.
1a0e XYLOSE ISOMERASE

(Thermotoga
neapolitana) 		PF01261
(AP_endonuc_2) 		5 THR A 140
GLU A 231
GLU A 267
ASP A 308
ASP A 295
 None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 (-3.3A)
CO  A 491 ( 3.2A)
 1.35A 5ximD-1a0eA:
40.3		 5ximD-1a0eA:
26.61
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.
1a0e XYLOSE ISOMERASE

(Thermotoga
neapolitana) 		PF01261
(AP_endonuc_2) 		5 THR A 140
VAL A 185
GLU A 231
GLU A 267
ASP A 308
 None
None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 (-3.3A)
 1.11A 5ximD-1a0eA:
40.3		 5ximD-1a0eA:
26.61
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.
1a0e XYLOSE ISOMERASE

(Thermotoga
neapolitana) 		PF01261
(AP_endonuc_2) 		11 TRP A  48
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338
 None
None
None
None
CO  A 491 ( 2.4A)
CO  A 492 ( 4.4A)
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 491 ( 3.2A)
CO  A 492 (-4.3A)
CO  A 491 ( 3.0A)
 0.60A 5ximD-1a0eA:
40.3		 5ximD-1a0eA:
26.61
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) 		6 MET A  88
THR A  90
TRP A 137
GLU A 181
GLU A 217
ASP A 292
 None
 1.34A 5ximD-1bhwA:
62.6		 5ximD-1bhwA:
99.75
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) 		5 THR A  90
GLU A 181
GLU A 217
ASP A 257
ASP A 245
 None
 1.36A 5ximD-1bhwA:
62.6		 5ximD-1bhwA:
99.75
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) 		6 THR A  90
VAL A 135
GLU A 181
GLU A 217
ASP A 245
ASP A 257
 None
 1.13A 5ximD-1bhwA:
62.6		 5ximD-1bhwA:
99.75
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) 		11 TRP A  16
MET A  88
THR A  90
VAL A 135
TRP A 137
GLU A 181
LYS A 183
GLU A 217
ASP A 245
ASP A 255
ASP A 292
 None
 0.14A 5ximD-1bhwA:
62.6		 5ximD-1bhwA:
99.75
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) 		7 MET A  87
THR A  89
TRP A 136
GLU A 180
GLU A 216
HIS A 219
ASP A 286
 None
 1.36A 5ximD-1bxcA:
53.1		 5ximD-1bxcA:
54.80
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 THR A  89
VAL A 134
GLU A 180
GLU A 216
ASP A 256
 None
 1.20A 5ximD-1bxcA:
53.1		 5ximD-1bxcA:
54.80
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) 		12 TRP A  15
MET A  87
THR A  89
VAL A 134
TRP A 136
GLU A 180
LYS A 182
GLU A 216
HIS A 219
ASP A 244
ASP A 254
ASP A 286
 None
 0.39A 5ximD-1bxcA:
53.1		 5ximD-1bxcA:
54.80
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
TRP A 193
GLU A 234
LYS A 236
HIS A 270
ASP A 302
ASP A 334
 RNS  A1462 ( 4.1A)
RNS  A1462 (-3.2A)
ZN  A 450 ( 2.4A)
RNS  A1462 (-2.2A)
RNS  A1462 ( 3.5A)
MN  A 451 ( 2.2A)
RNS  A1462 ( 3.0A)
 0.68A 5ximD-1de6A:
26.7		 5ximD-1de6A:
22.08
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 THR A 233
GLU A 260
HIS A  15
ASP A 295
ASP A 181
 None
None
ZN  A 400 (-3.4A)
HPR  A 353 ( 2.5A)
None
 1.48A 5ximD-1uioA:
4.8		 5ximD-1uioA:
23.22
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 THR A 137
VAL A 141
HIS A  70
ASP A 190
ASP A  74
 None
None
ZN  A 318 (-3.4A)
ZN  A 319 ( 2.4A)
ZN  A 319 (-2.8A)
 1.46A 5ximD-2zo4A:
undetectable		 5ximD-2zo4A:
23.52
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		5 THR A  80
GLU A 166
HIS A 204
ASP A 238
ASP A 229
 UNL  A 337 ( 3.8A)
FE  A 334 (-2.6A)
FE  A 333 (-3.3A)
FE  A 333 (-1.9A)
FE  A 334 (-3.1A)
 1.28A 5ximD-3ktcA:
35.7		 5ximD-3ktcA:
26.47
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) 		5 THR A  80
GLU A 166
HIS A 204
ASP A 240
ASP A 229
 UNL  A 337 ( 3.8A)
FE  A 334 (-2.6A)
FE  A 333 (-3.3A)
FE  A 333 (-2.5A)
FE  A 334 (-3.1A)
 1.35A 5ximD-3ktcA:
35.7		 5ximD-3ktcA:
26.47
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) 		5 THR A  80
TRP A 126
GLU A 166
HIS A 204
ASP A 270
 UNL  A 337 ( 3.8A)
UNL  A 337 ( 3.7A)
FE  A 334 (-2.6A)
FE  A 333 (-3.3A)
FE  A 334 (-2.9A)
 1.11A 5ximD-3ktcA:
35.7		 5ximD-3ktcA:
26.47
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) 		9 TRP A  14
THR A  80
TRP A 126
GLU A 166
LYS A 168
HIS A 204
ASP A 229
ASP A 238
ASP A 270
 UNL  A 337 ( 3.9A)
UNL  A 337 ( 3.8A)
UNL  A 337 ( 3.7A)
FE  A 334 (-2.6A)
UNL  A 337 ( 2.9A)
FE  A 333 (-3.3A)
FE  A 334 (-3.1A)
FE  A 333 (-1.9A)
FE  A 334 (-2.9A)
 0.63A 5ximD-3ktcA:
35.7		 5ximD-3ktcA:
26.47
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
TRP A 184
GLU A 225
LYS A 227
HIS A 261
ASP A 293
ASP A 325
 None
 0.73A 5ximD-3p14A:
27.3		 5ximD-3p14A:
20.69
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.
3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 THR A 297
VAL A 318
GLU A 348
HIS A 406
ASP A 442
 None
 1.49A 5ximD-3sybA:
undetectable		 5ximD-3sybA:
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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 GLU A 179
HIS A 122
ASP A 270
ASP A 147
ASP A 269
 EDO  A 401 (-3.8A)
None
None
ZN  A 350 ( 2.3A)
EDO  A 401 ( 3.8A)
 1.48A 5ximD-3tc8A:
undetectable		 5ximD-3tc8A:
21.07
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.
4f9u CG32412

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		5 GLU A 170
HIS A 114
ASP A 273
ASP A 131
ASP A 272
 PBD  A 402 (-3.4A)
None
None
ZN  A 401 ( 2.3A)
PBD  A 402 ( 4.3A)
 1.49A 5ximD-4f9uA:
undetectable		 5ximD-4f9uA:
23.30
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.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		5 GLU A 190
HIS A 137
ASP A 294
ASP A 153
ASP A 293
 PBD  A 402 (-3.5A)
None
None
ZN  A 401 ( 2.1A)
PBD  A 402 ( 4.1A)
 1.50A 5ximD-4faiA:
undetectable		 5ximD-4faiA:
23.41
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.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		5 GLU A 181
HIS A 124
ASP A 273
ASP A 149
ASP A 272
 UNL  A 401 ( 3.0A)
UNL  A 401 ( 4.4A)
None
ZN  A 403 (-2.3A)
UNL  A 401 ( 3.7A)
 1.46A 5ximD-4fuuA:
undetectable		 5ximD-4fuuA:
23.15
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 7 TRP A  57
TRP A 179
GLU A 219
LYS A 221
HIS A 257
ASP A 289
ASP A 327
 RNS  A1001 (-3.5A)
RNS  A1001 (-3.3A)
MN  A1003 ( 2.6A)
RNS  A1001 (-2.7A)
MN  A1004 ( 3.4A)
MN  A1004 ( 2.6A)
RNS  A1001 ( 2.8A)
 0.56A 5ximD-4gjiA:
33.6		 5ximD-4gjiA:
23.31
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 THR A  89
GLU A 180
GLU A 216
ASP A 256
ASP A 244
 SOR  A 400 (-3.3A)
MG  A 399 ( 2.5A)
MG  A 399 ( 2.8A)
None
MG  A 399 ( 3.1A)
 1.39A 5ximD-4xiaA:
57.7		 5ximD-4xiaA:
67.68
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) 		6 THR A  89
TRP A 136
GLU A 180
HIS A 219
ASP A 292
ASP A 254
 SOR  A 400 (-3.3A)
SOR  A 400 (-3.8A)
MG  A 399 ( 2.5A)
SOR  A 400 (-4.1A)
SOR  A 400 ( 2.7A)
SOR  A 400 ( 4.8A)
 1.35A 5ximD-4xiaA:
57.7		 5ximD-4xiaA:
67.68
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) 		6 THR A  89
VAL A 134
GLU A 180
GLU A 216
ASP A 244
ASP A 256
 SOR  A 400 (-3.3A)
SOR  A 400 (-4.5A)
MG  A 399 ( 2.5A)
MG  A 399 ( 2.8A)
MG  A 399 ( 3.1A)
None
 1.10A 5ximD-4xiaA:
57.7		 5ximD-4xiaA:
67.68
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) 		11 TRP A  15
MET A  87
THR A  89
VAL A 134
TRP A 136
GLU A 180
LYS A 182
GLU A 216
HIS A 219
ASP A 244
ASP A 292
 SOR  A 400 (-4.0A)
SOR  A 400 ( 4.4A)
SOR  A 400 (-3.3A)
SOR  A 400 (-4.5A)
SOR  A 400 (-3.8A)
MG  A 399 ( 2.5A)
SOR  A 400 (-2.9A)
MG  A 399 ( 2.8A)
SOR  A 400 (-4.1A)
MG  A 399 ( 3.1A)
SOR  A 400 ( 2.7A)
 0.20A 5ximD-4xiaA:
57.7		 5ximD-4xiaA:
67.68
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
MET A  87
THR A  89
VAL A 134
TRP A 136
GLU A 180
LYS A 182
HIS A 219
ASP A 254
ASP A 292
 SOR  A 400 (-4.0A)
SOR  A 400 ( 4.4A)
SOR  A 400 (-3.3A)
SOR  A 400 (-4.5A)
SOR  A 400 (-3.8A)
MG  A 399 ( 2.5A)
SOR  A 400 (-2.9A)
SOR  A 400 (-4.1A)
SOR  A 400 ( 4.8A)
SOR  A 400 ( 2.7A)
 0.61A 5ximD-4xiaA:
57.7		 5ximD-4xiaA:
67.68
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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 THR A 143
VAL A 188
GLU A 234
GLU A 270
ASP A 311
 None
None
MN  A 501 (-2.5A)
MN  A 502 ( 2.5A)
MN  A 502 (-2.9A)
 1.26A 5ximD-4xkmA:
39.1		 5ximD-4xkmA:
27.88
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 11 TRP A  51
THR A 143
VAL A 188
TRP A 190
GLU A 234
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341
 None
None
None
None
MN  A 501 (-2.5A)
None
MN  A 502 ( 2.5A)
MN  A 502 (-4.2A)
MN  A 501 (-3.2A)
MN  A 502 (-3.3A)
MN  A 501 (-3.1A)
 0.55A 5ximD-4xkmA:
39.1		 5ximD-4xkmA:
27.88
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.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		5 THR A 321
GLU A 237
GLU A 214
HIS A  66
ASP A  68
 None
CO  A 402 (-2.0A)
CO  A 402 (-3.4A)
CO  A 402 (-3.2A)
None
 1.46A 5ximD-5ds0A:
undetectable		 5ximD-5ds0A:
21.84
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 5 THR A 142
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)
 1.34A 5ximD-5nhbA:
40.4		 5ximD-5nhbA:
27.74
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 THR A 142
VAL A 187
GLU A 233
GLU A 269
ASP A 310
 None
None
FE2  A 501 (-2.2A)
FE2  A 502 ( 2.3A)
FE2  A 502 ( 3.9A)
 1.23A 5ximD-5nhbA:
40.4		 5ximD-5nhbA:
27.74
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 11 TRP A  50
THR A 142
VAL A 187
TRP A 189
GLU A 233
LYS A 235
GLU A 269
HIS A 272
ASP A 297
ASP A 308
ASP A 340
 None
None
None
None
FE2  A 501 (-2.2A)
FE2  A 502 ( 4.1A)
FE2  A 502 ( 2.3A)
FE2  A 502 (-3.6A)
FE2  A 501 (-3.0A)
FE2  A 502 (-3.2A)
FE2  A 501 ( 3.2A)
 0.53A 5ximD-5nhbA:
40.4		 5ximD-5nhbA:
27.74
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 TRP A 189
GLU A 233
GLU A 269
HIS A 272
ASP A 340
 None
FE2  A 501 (-2.2A)
FE2  A 502 ( 2.3A)
FE2  A 502 (-3.6A)
FE2  A 501 ( 3.2A)
 1.22A 5ximD-5nhbA:
40.4		 5ximD-5nhbA:
27.74
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) 		7 MET A  88
THR A  90
TRP A 137
GLU A 181
GLU A 217
HIS A 220
ASP A 287
 None
XYL  A 402 ( 4.1A)
XYL  A 402 (-3.8A)
XYL  A 402 ( 2.4A)
MG  A 401 ( 2.8A)
XYL  A 402 (-4.2A)
XYL  A 402 ( 2.9A)
 1.28A 5ximD-5y4jA:
57.3		 5ximD-5y4jA:
66.84
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) 		7 MET A  88
THR A  90
TRP A 137
GLU A 181
HIS A 220
ASP A 287
ASP A 255
 None
XYL  A 402 ( 4.1A)
XYL  A 402 (-3.8A)
XYL  A 402 ( 2.4A)
XYL  A 402 (-4.2A)
XYL  A 402 ( 2.9A)
XYL  A 402 ( 4.9A)
 1.37A 5ximD-5y4jA:
57.3		 5ximD-5y4jA:
66.84
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 THR A  90
GLU A 181
GLU A 217
ASP A 257
ASP A 245
 XYL  A 402 ( 4.1A)
XYL  A 402 ( 2.4A)
MG  A 401 ( 2.8A)
None
MG  A 401 ( 3.0A)
 1.30A 5ximD-5y4jA:
57.3		 5ximD-5y4jA:
66.84
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 THR A  90
VAL A 135
GLU A 181
GLU A 217
ASP A 257
 XYL  A 402 ( 4.1A)
None
XYL  A 402 ( 2.4A)
MG  A 401 ( 2.8A)
None
 1.11A 5ximD-5y4jA:
57.3		 5ximD-5y4jA:
66.84
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) 		11 TRP A  16
MET A  88
THR A  90
VAL A 135
TRP A 137
GLU A 181
LYS A 183
GLU A 217
HIS A 220
ASP A 245
ASP A 287
 XYL  A 402 (-4.1A)
None
XYL  A 402 ( 4.1A)
None
XYL  A 402 (-3.8A)
XYL  A 402 ( 2.4A)
XYL  A 402 (-2.8A)
MG  A 401 ( 2.8A)
XYL  A 402 (-4.2A)
MG  A 401 ( 3.0A)
XYL  A 402 ( 2.9A)
 0.19A 5ximD-5y4jA:
57.3		 5ximD-5y4jA:
66.84
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) 		9 TRP A  16
MET A  88
THR A  90
VAL A 135
TRP A 137
GLU A 181
LYS A 183
HIS A 220
ASP A 255
 XYL  A 402 (-4.1A)
None
XYL  A 402 ( 4.1A)
None
XYL  A 402 (-3.8A)
XYL  A 402 ( 2.4A)
XYL  A 402 (-2.8A)
XYL  A 402 (-4.2A)
XYL  A 402 ( 4.9A)
 0.65A 5ximD-5y4jA:
57.3		 5ximD-5y4jA:
66.84