SIMILAR PATTERNS OF AMINO ACIDS FOR 3XIM_C_SORC397_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 THR A 140
GLU A 231
GLU A 267
HIS A 270
ASP A 308
ASP A 295
 None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 492 ( 2.4A)
CO  A 491 ( 3.1A)
 1.39A 3ximC-1a0cA:
38.9		 3ximC-1a0cA:
26.81
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 THR A 140
VAL A 185
GLU A 231
GLU A 267
HIS A 270
ASP A 308
 None
None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 492 ( 2.4A)
 1.24A 3ximC-1a0cA:
38.9		 3ximC-1a0cA:
26.81
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)
 0.43A 3ximC-1a0cA:
38.9		 3ximC-1a0cA:
26.81
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)
 1.46A 3ximC-1a0dA:
38.8		 3ximC-1a0dA:
26.64
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)
 1.28A 3ximC-1a0dA:
38.8		 3ximC-1a0dA:
26.64
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)
 0.47A 3ximC-1a0dA:
38.8		 3ximC-1a0dA:
26.64
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)
 1.36A 3ximC-1a0eA:
40.3		 3ximC-1a0eA:
26.21
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) 		7 THR A 140
TRP A 187
GLU A 231
GLU A 267
HIS A 270
ASP A 338
ASP A 306
 None
None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.5A)
CO  A 492 ( 3.5A)
CO  A 491 ( 3.0A)
CO  A 492 (-4.3A)
 1.42A 3ximC-1a0eA:
40.3		 3ximC-1a0eA:
26.21
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)
 1.13A 3ximC-1a0eA:
40.3		 3ximC-1a0eA:
26.21
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)
 0.65A 3ximC-1a0eA:
40.3		 3ximC-1a0eA:
26.21
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 3ximC-1bhwA:
62.0		 3ximC-1bhwA:
98.98
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
 1.39A 3ximC-1bhwA:
62.0		 3ximC-1bhwA:
98.98
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
 1.15A 3ximC-1bhwA:
62.0		 3ximC-1bhwA:
98.98
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
 0.23A 3ximC-1bhwA:
62.0		 3ximC-1bhwA:
98.98
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
 1.34A 3ximC-1bxcA:
52.6		 3ximC-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) 		6 THR A  89
VAL A 134
GLU A 180
GLU A 216
ASP A 244
ASP A 256
 None
 1.19A 3ximC-1bxcA:
52.6		 3ximC-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
 0.38A 3ximC-1bxcA:
52.6		 3ximC-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)
 0.61A 3ximC-1de6A:
27.0		 3ximC-1de6A:
21.91
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 MET A  89
THR A 106
VAL A 107
ASP A 249
ASP A 243
 None
 1.17A 3ximC-1tmxA:
undetectable		 3ximC-1tmxA:
23.70
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.
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
 1.49A 3ximC-1uioA:
3.8		 3ximC-1uioA:
23.09
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.
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)
 1.41A 3ximC-2zo4A:
undetectable		 3ximC-2zo4A:
23.99
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)
 1.29A 3ximC-3ktcA:
35.8		 3ximC-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 3ximC-3ktcA:
35.8		 3ximC-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)
 0.59A 3ximC-3ktcA:
35.8		 3ximC-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
 0.66A 3ximC-3p14A:
27.4		 3ximC-3p14A:
21.72
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
 1.45A 3ximC-3sybA:
undetectable		 3ximC-3sybA:
23.49
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)
 1.49A 3ximC-3tc8A:
undetectable		 3ximC-3tc8A:
21.31
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.
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)
 1.50A 3ximC-4f9uA:
undetectable		 3ximC-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.
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)
 1.47A 3ximC-4fuuA:
undetectable		 3ximC-4fuuA:
22.91
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.
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)
 0.50A 3ximC-4gjiA:
34.0		 3ximC-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
HIS A 219
ASP A 292
ASP A 254
 SOR  A 400 (-3.3A)
MG  A 399 ( 2.5A)
SOR  A 400 (-4.1A)
SOR  A 400 ( 2.7A)
SOR  A 400 ( 4.8A)
 1.37A 3ximC-4xiaA:
57.1		 3ximC-4xiaA:
67.18
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
GLU A 216
HIS A 219
ASP A 244
 SOR  A 400 (-3.3A)
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 3ximC-4xiaA:
57.1		 3ximC-4xiaA:
67.18
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
 1.11A 3ximC-4xiaA:
57.1		 3ximC-4xiaA:
67.18
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 3ximC-4xiaA:
57.1		 3ximC-4xiaA:
67.18
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) 		9 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
 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)
 0.72A 3ximC-4xiaA:
57.1		 3ximC-4xiaA:
67.18
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.
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)
 1.29A 3ximC-4xkmA:
39.0		 3ximC-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)
 0.51A 3ximC-4xkmA:
39.0		 3ximC-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
 1.43A 3ximC-5ds0A:
undetectable		 3ximC-5ds0A:
21.41
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 5 THR A 142
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)
 1.21A 3ximC-5nhbA:
40.2		 3ximC-5nhbA:
27.59
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 3ximC-5nhbA:
40.2		 3ximC-5nhbA:
27.59
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)
 1.24A 3ximC-5nhbA:
40.2		 3ximC-5nhbA:
27.59
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)
 0.50A 3ximC-5nhbA:
40.2		 3ximC-5nhbA:
27.59
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) 		6 MET A  88
THR A  90
GLU A 181
GLU A 217
HIS A 220
ASP A 287
 None
XYL  A 402 ( 4.1A)
XYL  A 402 ( 2.4A)
MG  A 401 ( 2.8A)
XYL  A 402 (-4.2A)
XYL  A 402 ( 2.9A)
 1.30A 3ximC-5y4jA:
56.8		 3ximC-5y4jA:
66.58
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) 		6 MET A  88
THR A  90
GLU A 181
HIS A 220
ASP A 287
ASP A 255
 None
XYL  A 402 ( 4.1A)
XYL  A 402 ( 2.4A)
XYL  A 402 (-4.2A)
XYL  A 402 ( 2.9A)
XYL  A 402 ( 4.9A)
 1.41A 3ximC-5y4jA:
56.8		 3ximC-5y4jA:
66.58
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)
 1.32A 3ximC-5y4jA:
56.8		 3ximC-5y4jA:
66.58
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) 		6 THR A  90
TRP A 137
GLU A 181
GLU A 217
HIS A 220
ASP A 245
 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)
MG  A 401 ( 3.0A)
 1.26A 3ximC-5y4jA:
56.8		 3ximC-5y4jA:
66.58
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) 		6 THR A  90
VAL A 135
GLU A 181
GLU A 217
ASP A 245
ASP A 257
 XYL  A 402 ( 4.1A)
None
XYL  A 402 ( 2.4A)
MG  A 401 ( 2.8A)
MG  A 401 ( 3.0A)
None
 1.09A 3ximC-5y4jA:
56.8		 3ximC-5y4jA:
66.58
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)
 0.22A 3ximC-5y4jA:
56.8		 3ximC-5y4jA:
66.58
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)
 0.73A 3ximC-5y4jA:
56.8		 3ximC-5y4jA:
66.58