SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XYP'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1EIZ_A_SAMA301_1
(FTSJ)		 1ioo SF11-RNASE
(Nicotiana
alata) 		3 / 3 ASP A 113
ASP A 116
ASP A  62
 NAG  A 198 ( 3.5A)
NAG  A 197 (-3.7A)
XYP  A 200 ( 4.6A)
 0.72A 1eizA-1iooA:
undetectable		 1eizA-1iooA:
19.72
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.
1EJ0_A_SAMA301_1
(FTSJ)		 1ioo SF11-RNASE
(Nicotiana
alata) 		3 / 3 ASP A 113
ASP A 116
ASP A  62
 NAG  A 198 ( 3.5A)
NAG  A 197 (-3.7A)
XYP  A 200 ( 4.6A)
 0.69A 1ej0A-1iooA:
undetectable		 1ej0A-1iooA:
19.72
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.
1HK3_A_T44A3004_1
(SERUM ALBUMIN)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		4 / 7 GLU A 236
LEU A 237
VAL A 250
LEU A 222
 XYP  A 452 (-2.7A)
None
None
None
 1.01A 1hk3A-1v6uA:
undetectable		 1hk3A-1v6uA:
19.03
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.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 4g68 ABC TRANSPORTER
(Caldanaerobius) 		4 / 6 TYR B 301
TRP B 191
ILE B 380
LEU B 343
 None
XYP  B 802 (-4.2A)
None
None
 1.21A 1j96A-4g68B:
undetectable		 1j96A-4g68B:
22.55
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.
1NCW_H_BEZH601_0
(IMMUNOGLOBULIN IGG2A)		 5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Clostridium
beijerinckii) 		5 / 9 ALA X 206
ASN X  26
TRP X  29
TYR X  28
GLY X 145
 XYP  X 500 (-3.5A)
XYP  X 500 ( 4.4A)
XYP  X 500 (-4.1A)
XYP  X 500 (-4.0A)
None
 1.12A 1ncwH-5xsjX:
undetectable
1ncwL-5xsjX:
undetectable		 1ncwH-5xsjX:
20.92
1ncwL-5xsjX:
20.45
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 3vsv XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 ASP A 562
HIS A 339
ASP A 559
 None
XYP  A 702 (-4.6A)
XYP  A 702 ( 4.0A)
 0.90A 1nw5A-3vsvA:
undetectable		 1nw5A-3vsvA:
18.25
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.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)		 4g68 ABC TRANSPORTER
(Caldanaerobius) 		5 / 12 GLY B 304
ILE B 302
ALA B 377
SER B 374
TYR B 301
 None
None
XYP  B 802 (-3.4A)
None
None
 1.01A 1ri4A-4g68B:
undetectable		 1ri4A-4g68B:
21.14
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.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Clostridium
beijerinckii) 		5 / 10 ALA X 206
ASN X  26
TRP X  29
TYR X  28
GLY X 145
 XYP  X 500 (-3.5A)
XYP  X 500 ( 4.4A)
XYP  X 500 (-4.1A)
XYP  X 500 (-4.0A)
None
 1.14A 1ruaH-5xsjX:
undetectable
1ruaL-5xsjX:
undetectable		 1ruaH-5xsjX:
20.92
1ruaL-5xsjX:
20.45
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.
1RUL_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Clostridium
beijerinckii) 		5 / 9 ALA X 206
ASN X  26
TRP X  29
TYR X  28
GLY X 145
 XYP  X 500 (-3.5A)
XYP  X 500 ( 4.4A)
XYP  X 500 (-4.1A)
XYP  X 500 (-4.0A)
None
 1.15A 1rulH-5xsjX:
undetectable
1rulL-5xsjX:
undetectable		 1rulH-5xsjX:
20.92
1rulL-5xsjX:
20.45
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.
1RUM_H_BEZH1601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Clostridium
beijerinckii) 		5 / 9 ALA X 206
ASN X  26
TRP X  29
TYR X  28
GLY X 145
 XYP  X 500 (-3.5A)
XYP  X 500 ( 4.4A)
XYP  X 500 (-4.1A)
XYP  X 500 (-4.0A)
None
 1.13A 1rumH-5xsjX:
undetectable
1rumL-5xsjX:
undetectable		 1rumH-5xsjX:
20.92
1rumL-5xsjX:
20.45
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.
1RUP_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Clostridium
beijerinckii) 		5 / 9 ALA X 206
ASN X  26
TRP X  29
TYR X  28
GLY X 145
 XYP  X 500 (-3.5A)
XYP  X 500 ( 4.4A)
XYP  X 500 (-4.1A)
XYP  X 500 (-4.0A)
None
 1.13A 1rupH-5xsjX:
undetectable
1rupL-5xsjX:
undetectable		 1rupH-5xsjX:
20.92
1rupL-5xsjX:
20.45
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN
(Bifidobacterium
animalis) 		3 / 3 MET A 274
ASN A  39
GLN A  71
 None
XYP  A1003 (-3.3A)
None
 1.03A 1xoqB-4c1tA:
undetectable		 1xoqB-4c1tA:
21.75
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.
2ACL_C_REAC503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A 188
ASN A 158
PHE A 185
ALA A 187
ILE A 231
 None
XYP  A 403 (-3.2A)
None
None
None
 1.17A 2aclC-4pueA:
undetectable		 2aclC-4pueA:
21.62
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.
2DPZ_A_TYLA2001_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 6 LEU A 538
ALA A 545
HIS A 528
ASP A 527
 None
None
XYP  A1719 (-4.4A)
None
 1.09A 2dpzA-1gqjA:
undetectable		 2dpzA-1gqjA:
9.55
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.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)		 2w5f ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ASN A 394
HIS A 276
GLN A 457
THR A 231
 None
XYP  A1001 (-3.9A)
None
None
 1.20A 2hkkA-2w5fA:
undetectable		 2hkkA-2w5fA:
20.37
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.
2O4L_A_TPVA403_1
(PROTEASE)		 4ywh ABC TRANSPORTER
SOLUTE BINDING
PROTEIN
(Actinobacillus
succinogenes) 		5 / 12 ALA A 246
ASP A 245
ASP A 247
VAL A 255
ILE A 251
 None
XYP  A 401 (-2.4A)
None
None
None
 1.14A 2o4lA-4ywhA:
undetectable		 2o4lA-4ywhA:
15.12
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2w5f ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 333
ASN A 336
THR A 284
 None
XYP  A1001 (-2.9A)
None
 0.80A 2q63B-2w5fA:
undetectable		 2q63B-2w5fA:
10.46
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A 130
ASN A 133
THR A  89
 None
XYP  A 450 (-3.3A)
None
 0.77A 2q63B-3msgA:
undetectable		 2q63B-3msgA:
15.31
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.
2RCT_A_RTLA140_1
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 GLN A  30
THR A 289
TRP A 291
 None
None
XYP  A 450 ( 4.1A)
 1.07A 2rctA-3msgA:
undetectable		 2rctA-3msgA:
19.64
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.
2RLF_A_RIMA199_1
(MATRIX PROTEIN 2)		 1px8 BETA-XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		4 / 6 LEU A  27
LEU A  56
ILE A  51
ARG A  52
 None
None
None
XYP  A 601 ( 4.9A)
 0.93A 2rlfA-1px8A:
0.0
2rlfB-1px8A:
0.0		 2rlfA-1px8A:
7.14
2rlfB-1px8A:
7.14
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.
2RLF_C_RIMC399_1
(MATRIX PROTEIN 2)		 1px8 BETA-XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		4 / 6 LEU A  27
LEU A  56
ILE A  51
ARG A  52
 None
None
None
XYP  A 601 ( 4.9A)
 0.92A 2rlfC-1px8A:
undetectable
2rlfD-1px8A:
undetectable		 2rlfC-1px8A:
7.14
2rlfD-1px8A:
7.14
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 1px8 BETA-XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		6 / 12 ASN A 159
GLU A 160
HIS A 228
TYR A 230
GLU A 277
TRP A 315
 XYP  A 601 (-3.1A)
XYP  A 601 (-2.2A)
XYP  A 601 ( 4.8A)
None
XYP  A 601 (-2.7A)
XYP  A 601 (-4.1A)
 0.73A 2v3dA-1px8A:
13.3		 2v3dA-1px8A:
21.80
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 1px8 BETA-XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		6 / 12 ASN A 159
GLU A 160
PHE A 115
HIS A 228
GLU A 277
TRP A 315
 XYP  A 601 (-3.1A)
XYP  A 601 (-2.2A)
XYP  A 601 (-4.5A)
XYP  A 601 ( 4.8A)
XYP  A 601 (-2.7A)
XYP  A 601 (-4.1A)
 0.76A 2v3dA-1px8A:
13.3		 2v3dA-1px8A:
21.80
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 2y24 XYLANASE
(Dickeya
chrysanthemi) 		7 / 12 TRP A 113
ASN A 164
GLU A 165
HIS A 230
TYR A 232
GLU A 253
TRP A 289
 XYP  A1001 (-3.9A)
XYP  A1001 (-3.1A)
XYP  A1001 ( 2.4A)
None
IMD  A1417 (-3.8A)
XYP  A1001 (-2.8A)
XYP  A1001 (-4.2A)
 0.58A 2v3dA-2y24A:
35.3		 2v3dA-2y24A:
23.65
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 1px8 BETA-XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		5 / 11 ASN A 159
GLU A 160
PHE A 115
GLU A 277
TRP A 315
 XYP  A 601 (-3.1A)
XYP  A 601 (-2.2A)
XYP  A 601 (-4.5A)
XYP  A 601 (-2.7A)
XYP  A 601 (-4.1A)
 0.68A 2v3dB-1px8A:
18.1		 2v3dB-1px8A:
21.80
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 1px8 BETA-XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		5 / 11 ASN A 159
GLU A 160
TYR A 230
GLU A 277
TRP A 315
 XYP  A 601 (-3.1A)
XYP  A 601 (-2.2A)
None
XYP  A 601 (-2.7A)
XYP  A 601 (-4.1A)
 0.74A 2v3dB-1px8A:
18.1		 2v3dB-1px8A:
21.80
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 2y24 XYLANASE
(Dickeya
chrysanthemi) 		6 / 11 TRP A 113
ASN A 164
GLU A 165
TYR A 232
GLU A 253
TRP A 289
 XYP  A1001 (-3.9A)
XYP  A1001 (-3.1A)
XYP  A1001 ( 2.4A)
IMD  A1417 (-3.8A)
XYP  A1001 (-2.8A)
XYP  A1001 (-4.2A)
 0.66A 2v3dB-2y24A:
35.0		 2v3dB-2y24A:
23.65
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.
2VAV_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN
(Bifidobacterium
animalis) 		5 / 12 THR A 318
PHE A 350
HIS A  38
PHE A  36
VAL A  92
 XYP  A1003 ( 4.9A)
XYP  A1004 (-4.8A)
None
None
None
 1.49A 2vavL-4c1tA:
0.0		 2vavL-4c1tA:
21.76
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.
2XDC_A_DVAA8_0
(GRAMICIDIN A)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		3 / 3 VAL A 500
TRP A 552
TRP A 560
 None
XYP  A1609 ( 4.1A)
XYP  A1609 ( 4.0A)
 1.33A 2xdcA-1us2A:
undetectable
2xdcB-1us2A:
undetectable		 2xdcA-1us2A:
3.14
2xdcB-1us2A:
3.14
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.
2XDC_A_DVAA8_0
(GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 244
TRP A 291
TRP A 299
 None
XYP  A 450 ( 4.1A)
XYP  A 450 ( 4.0A)
 1.39A 2xdcA-3msgA:
undetectable
2xdcB-3msgA:
undetectable		 2xdcA-3msgA:
4.10
2xdcB-3msgA:
4.10
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.
2XDC_A_DVAA8_0
(GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 VAL A 298
TRP A 300
TRP A 292
 None
XYP  A 402 (-4.1A)
XYP  A 401 (-4.2A)
 1.13A 2xdcA-3w25A:
undetectable
2xdcB-3w25A:
undetectable		 2xdcA-3w25A:
3.79
2xdcB-3w25A:
3.79
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.
2XDC_A_DVAA8_0
(GRAMICIDIN A)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 268
TRP A 316
TRP A 324
 None
XYP  A 404 (-4.0A)
XYP  A 403 (-4.0A)
 1.24A 2xdcA-4pueA:
undetectable
2xdcB-4pueA:
undetectable		 2xdcA-4pueA:
3.28
2xdcB-4pueA:
3.28
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.
2XDC_B_DVAB8_0
(GRAMICIDIN A)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		3 / 3 TRP A 560
VAL A 500
TRP A 552
 XYP  A1609 ( 4.0A)
None
XYP  A1609 ( 4.1A)
 1.34A 2xdcA-1us2A:
undetectable
2xdcB-1us2A:
undetectable		 2xdcA-1us2A:
3.14
2xdcB-1us2A:
3.14
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.
2XDC_B_DVAB8_0
(GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 TRP A 299
VAL A 244
TRP A 291
 XYP  A 450 ( 4.0A)
None
XYP  A 450 ( 4.1A)
 1.41A 2xdcA-3msgA:
undetectable
2xdcB-3msgA:
undetectable		 2xdcA-3msgA:
4.10
2xdcB-3msgA:
4.10
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.
2XDC_B_DVAB8_0
(GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 TRP A 292
VAL A 298
TRP A 300
 XYP  A 401 (-4.2A)
None
XYP  A 402 (-4.1A)
 1.14A 2xdcA-3w25A:
undetectable
2xdcB-3w25A:
undetectable		 2xdcA-3w25A:
3.79
2xdcB-3w25A:
3.79
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.
2XDC_B_DVAB8_0
(GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 TRP A 300
VAL A 298
TRP A 292
 XYP  A 402 (-4.1A)
None
XYP  A 401 (-4.2A)
 1.16A 2xdcA-3w25A:
undetectable
2xdcB-3w25A:
undetectable		 2xdcA-3w25A:
3.79
2xdcB-3w25A:
3.79
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.
2XDC_B_DVAB8_0
(GRAMICIDIN A)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		3 / 3 TRP A 324
VAL A 268
TRP A 316
 XYP  A 403 (-4.0A)
None
XYP  A 404 (-4.0A)
 1.26A 2xdcA-4pueA:
undetectable
2xdcB-4pueA:
undetectable		 2xdcA-4pueA:
3.28
2xdcB-4pueA:
3.28
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.
2XDC_C_DVAC8_0
(GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 VAL A 298
TRP A 292
TRP A 300
 None
XYP  A 401 (-4.2A)
XYP  A 402 (-4.1A)
 1.01A 2xdcC-3w25A:
undetectable
2xdcD-3w25A:
undetectable		 2xdcC-3w25A:
3.79
2xdcD-3w25A:
3.79
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.
2XDC_D_DVAD8_0
(GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 TRP A 300
VAL A 298
TRP A 292
 XYP  A 402 (-4.1A)
None
XYP  A 401 (-4.2A)
 1.32A 2xdcC-3w25A:
undetectable
2xdcD-3w25A:
undetectable		 2xdcC-3w25A:
3.79
2xdcD-3w25A:
3.79
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.
2XDC_F_DVAF8_0
(GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 TRP A 300
VAL A 298
TRP A 292
 XYP  A 402 (-4.1A)
None
XYP  A 401 (-4.2A)
 1.33A 2xdcE-3w25A:
undetectable
2xdcF-3w25A:
undetectable		 2xdcE-3w25A:
3.79
2xdcF-3w25A:
3.79
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.
2Y5M_A_DVAA8_0
(VAL-GRAMICIDIN A)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		3 / 3 VAL A 500
TRP A 552
TRP A 560
 None
XYP  A1609 ( 4.1A)
XYP  A1609 ( 4.0A)
 1.34A 2y5mA-1us2A:
undetectable
2y5mB-1us2A:
undetectable		 2y5mA-1us2A:
3.14
2y5mB-1us2A:
3.14
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.
2Y5M_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 244
TRP A 291
TRP A 299
 None
XYP  A 450 ( 4.1A)
XYP  A 450 ( 4.0A)
 1.40A 2y5mA-3msgA:
undetectable
2y5mB-3msgA:
undetectable		 2y5mA-3msgA:
4.10
2y5mB-3msgA:
4.10
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.
2Y5M_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 VAL A 298
TRP A 292
TRP A 300
 None
XYP  A 401 (-4.2A)
XYP  A 402 (-4.1A)
 1.16A 2y5mA-3w25A:
undetectable
2y5mB-3w25A:
undetectable		 2y5mA-3w25A:
3.79
2y5mB-3w25A:
3.79
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.
2Y5M_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 VAL A 298
TRP A 300
TRP A 292
 None
XYP  A 402 (-4.1A)
XYP  A 401 (-4.2A)
 1.14A 2y5mA-3w25A:
undetectable
2y5mB-3w25A:
undetectable		 2y5mA-3w25A:
3.79
2y5mB-3w25A:
3.79
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.
2Y5M_A_DVAA8_0
(VAL-GRAMICIDIN A)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 268
TRP A 316
TRP A 324
 None
XYP  A 404 (-4.0A)
XYP  A 403 (-4.0A)
 1.26A 2y5mA-4pueA:
undetectable
2y5mB-4pueA:
undetectable		 2y5mA-4pueA:
3.28
2y5mB-4pueA:
3.28
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.
2Y5M_B_DVAB8_0
(VAL-GRAMICIDIN A)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		4 / 4 VAL A 551
TRP A 560
VAL A 500
TRP A 552
 None
XYP  A1609 ( 4.0A)
None
XYP  A1609 ( 4.1A)
 1.36A 2y5mA-1us2A:
undetectable
2y5mB-1us2A:
undetectable		 2y5mA-1us2A:
3.14
2y5mB-1us2A:
3.14
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.
2Y5M_B_DVAB8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		4 / 4 VAL A  23
TRP A 300
VAL A 298
TRP A 292
 None
XYP  A 402 (-4.1A)
None
XYP  A 401 (-4.2A)
 1.36A 2y5mA-3w25A:
undetectable
2y5mB-3w25A:
undetectable		 2y5mA-3w25A:
3.79
2y5mB-3w25A:
3.79
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.
2Y5M_F_DVAF8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 TRP A 300
VAL A 298
TRP A 292
 XYP  A 402 (-4.1A)
None
XYP  A 401 (-4.2A)
 1.30A 2y5mE-3w25A:
undetectable
2y5mF-3w25A:
undetectable		 2y5mE-3w25A:
3.79
2y5mF-3w25A:
3.79
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.
2Y6N_A_DVAA8_0
(VAL-GRAMICIDIN A)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		3 / 3 VAL A 500
TRP A 552
TRP A 560
 None
XYP  A1609 ( 4.1A)
XYP  A1609 ( 4.0A)
 1.34A 2y6nA-1us2A:
undetectable
2y6nB-1us2A:
undetectable		 2y6nA-1us2A:
3.14
2y6nB-1us2A:
3.14
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.
2Y6N_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 244
TRP A 291
TRP A 299
 None
XYP  A 450 ( 4.1A)
XYP  A 450 ( 4.0A)
 1.39A 2y6nA-3msgA:
undetectable
2y6nB-3msgA:
undetectable		 2y6nA-3msgA:
4.10
2y6nB-3msgA:
4.10
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.
2Y6N_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 VAL A 298
TRP A 292
TRP A 300
 None
XYP  A 401 (-4.2A)
XYP  A 402 (-4.1A)
 1.17A 2y6nA-3w25A:
undetectable
2y6nB-3w25A:
undetectable		 2y6nA-3w25A:
3.79
2y6nB-3w25A:
3.79
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.
2Y6N_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 VAL A 298
TRP A 300
TRP A 292
 None
XYP  A 402 (-4.1A)
XYP  A 401 (-4.2A)
 1.13A 2y6nA-3w25A:
undetectable
2y6nB-3w25A:
undetectable		 2y6nA-3w25A:
3.79
2y6nB-3w25A:
3.79
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.
2Y6N_A_DVAA8_0
(VAL-GRAMICIDIN A)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 268
TRP A 316
TRP A 324
 None
XYP  A 404 (-4.0A)
XYP  A 403 (-4.0A)
 1.26A 2y6nA-4pueA:
undetectable
2y6nB-4pueA:
undetectable		 2y6nA-4pueA:
3.28
2y6nB-4pueA:
3.28
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.
2Y6N_B_DVAB8_0
(VAL-GRAMICIDIN A)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		3 / 3 TRP A 560
VAL A 500
TRP A 552
 XYP  A1609 ( 4.0A)
None
XYP  A1609 ( 4.1A)
 1.34A 2y6nA-1us2A:
undetectable
2y6nB-1us2A:
undetectable		 2y6nA-1us2A:
3.14
2y6nB-1us2A:
3.14
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.
2Y6N_B_DVAB8_0
(VAL-GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 TRP A 299
VAL A 244
TRP A 291
 XYP  A 450 ( 4.0A)
None
XYP  A 450 ( 4.1A)
 1.40A 2y6nA-3msgA:
undetectable
2y6nB-3msgA:
undetectable		 2y6nA-3msgA:
4.10
2y6nB-3msgA:
4.10
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.
2Y6N_B_DVAB8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 TRP A 292
VAL A 298
TRP A 300
 XYP  A 401 (-4.2A)
None
XYP  A 402 (-4.1A)
 1.12A 2y6nA-3w25A:
undetectable
2y6nB-3w25A:
undetectable		 2y6nA-3w25A:
3.79
2y6nB-3w25A:
3.79
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.
2Y6N_B_DVAB8_0
(VAL-GRAMICIDIN A)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		3 / 3 TRP A 324
VAL A 268
TRP A 316
 XYP  A 403 (-4.0A)
None
XYP  A 404 (-4.0A)
 1.26A 2y6nA-4pueA:
undetectable
2y6nB-4pueA:
undetectable		 2y6nA-4pueA:
3.28
2y6nB-4pueA:
3.28
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.
2Y6N_D_DVAD8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 TRP A 300
VAL A 298
TRP A 292
 XYP  A 402 (-4.1A)
None
XYP  A 401 (-4.2A)
 1.30A 2y6nC-3w25A:
undetectable
2y6nD-3w25A:
undetectable		 2y6nC-3w25A:
3.79
2y6nD-3w25A:
3.79
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.
2Y6N_F_DVAF8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 TRP A 300
VAL A 298
TRP A 292
 XYP  A 402 (-4.1A)
None
XYP  A 401 (-4.2A)
 1.31A 2y6nE-3w25A:
undetectable
2y6nF-3w25A:
undetectable		 2y6nE-3w25A:
3.79
2y6nF-3w25A:
3.79
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.
3ARR_A_PNXA606_1
(CHITINASE A)		 4ywh ABC TRANSPORTER
SOLUTE BINDING
PROTEIN
(Actinobacillus
succinogenes) 		4 / 7 GLY A  92
ASP A 113
TRP A  40
ARG A  39
 None
XYP  A 401 (-3.3A)
None
XYP  A 401 (-3.9A)
 1.27A 3arrA-4ywhA:
undetectable		 3arrA-4ywhA:
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.
3ARU_A_PNXA608_1
(CHITINASE A)		 2v4v GH59 GALACTOSIDASE
([Clostridium]
cellulolyticum) 		4 / 6 ASN A1042
SER A 980
ALA A 979
ASP A1009
 XYP  A3051 (-3.0A)
None
None
None
 1.28A 3aruA-2v4vA:
2.3		 3aruA-2v4vA:
15.54
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.
3DOU_A_SAMA1_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 1ioo SF11-RNASE
(Nicotiana
alata) 		3 / 3 ASP A 113
ASP A 116
ASP A  62
 NAG  A 198 ( 3.5A)
NAG  A 197 (-3.7A)
XYP  A 200 ( 4.6A)
 0.76A 3douA-1iooA:
undetectable		 3douA-1iooA:
15.17
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lw6 BETA-4-GALACTOSYLTRA
NSFERASE 7
(Drosophila
melanogaster) 		5 / 12 TYR A 177
GLY A 206
GLU A 210
GLY A 208
HIS A 243
 XYP  A 403 ( 3.4A)
None
SEL  A 405 (-3.1A)
SEL  A 405 ( 3.1A)
MN  A 401 ( 3.3A)
 1.01A 3f8wA-4lw6A:
undetectable		 3f8wA-4lw6A:
21.81
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lw6 BETA-4-GALACTOSYLTRA
NSFERASE 7
(Drosophila
melanogaster) 		5 / 12 TYR A 177
GLY A 206
GLU A 210
GLY A 208
HIS A 243
 XYP  A 403 ( 3.4A)
None
SEL  A 405 (-3.1A)
SEL  A 405 ( 3.1A)
MN  A 401 ( 3.3A)
 1.00A 3f8wB-4lw6A:
undetectable		 3f8wB-4lw6A:
21.81
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.
3FHJ_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		5 / 10 GLY A 219
GLN A 217
ILE A 232
VAL A 235
VAL A  97
 None
XYP  A1611 (-3.2A)
None
None
None
 1.31A 3fhjA-1us2A:
undetectable		 3fhjA-1us2A:
20.60
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.
3FHJ_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		5 / 10 GLY A 219
GLN A 217
ILE A 232
VAL A 235
VAL A  97
 None
XYP  A1611 (-3.2A)
None
None
None
 1.31A 3fhjB-1us2A:
undetectable		 3fhjB-1us2A:
20.60
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.
3FHJ_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		5 / 10 GLY A 219
GLN A 217
ILE A 232
VAL A 235
VAL A  97
 None
XYP  A1611 (-3.2A)
None
None
None
 1.31A 3fhjE-1us2A:
undetectable		 3fhjE-1us2A:
20.60
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.
3FI0_H_TRPH1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		5 / 9 GLY A 219
GLN A 217
ILE A 232
VAL A 235
VAL A  97
 None
XYP  A1611 (-3.2A)
None
None
None
 1.32A 3fi0H-1us2A:
undetectable		 3fi0H-1us2A:
19.96
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.
3FI0_K_TRPK1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1gny XYLANASE 10C
(Cellvibrio
japonicus) 		5 / 9 GLY A 219
GLN A 217
ILE A 232
VAL A 235
VAL A  97
 None
XYP  A1246 (-3.2A)
None
None
None
 1.40A 3fi0K-1gnyA:
undetectable		 3fi0K-1gnyA:
20.20
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.
3FI0_N_TRPN1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		5 / 9 GLY A 219
GLN A 217
ILE A 232
VAL A 235
VAL A  97
 None
XYP  A1611 (-3.2A)
None
None
None
 1.37A 3fi0N-1us2A:
undetectable		 3fi0N-1us2A:
19.96
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.
3FI0_O_TRPO1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1gny XYLANASE 10C
(Cellvibrio
japonicus) 		5 / 9 GLY A 219
GLN A 217
ILE A 232
VAL A 235
VAL A  97
 None
XYP  A1246 (-3.2A)
None
None
None
 1.37A 3fi0O-1gnyA:
undetectable		 3fi0O-1gnyA:
20.20
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.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)		 5ofk GLYCOSIDE HYDROLASE
FAMILY 48
(Caldicellulosiru
ptor
bescii) 		4 / 7 VAL A 124
TYR A 120
GLU A  52
PRO A  51
 None
None
XYP  A 408 ( 4.9A)
None
 1.29A 3hs4A-5ofkA:
undetectable		 3hs4A-5ofkA:
22.88
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.
3JX4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		4 / 6 VAL A  46
ARG A 122
TRP A  18
TRP A  79
 XYP  A 202 (-4.9A)
XYP  A 203 (-3.7A)
XYP  A 202 (-4.1A)
XYP  A 202 (-4.7A)
 1.43A 3jx4A-4hk9A:
undetectable
3jx4B-4hk9A:
undetectable		 3jx4A-4hk9A:
16.38
3jx4B-4hk9A:
16.38
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 1vbr ENDO-1,4-BETA-XYLANA
SE B
(Thermotoga
maritima) 		3 / 3 ASP A 689
ASN A 646
SER A 691
 None
XYP  A   2 (-3.4A)
None
 0.97A 3lslA-1vbrA:
undetectable
3lslD-1vbrA:
undetectable		 3lslA-1vbrA:
20.57
3lslD-1vbrA:
20.57
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.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)		 1vbr ENDO-1,4-BETA-XYLANA
SE B
(Thermotoga
maritima) 		3 / 3 SER A 691
ASP A 689
ASN A 646
 None
None
XYP  A   2 (-3.4A)
 1.00A 3lslA-1vbrA:
undetectable
3lslD-1vbrA:
undetectable		 3lslA-1vbrA:
20.57
3lslD-1vbrA:
20.57
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.
3N5P_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		4 / 6 TRP A  79
VAL A  46
ARG A 122
TRP A  18
 XYP  A 202 (-4.7A)
XYP  A 202 (-4.9A)
XYP  A 203 (-3.7A)
XYP  A 202 (-4.1A)
 1.43A 3n5pA-4hk9A:
undetectable
3n5pB-4hk9A:
undetectable		 3n5pA-4hk9A:
18.41
3n5pB-4hk9A:
18.41
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 4ywh ABC TRANSPORTER
SOLUTE BINDING
PROTEIN
(Actinobacillus
succinogenes) 		5 / 12 ASP A 158
ASP A 113
ARG A  39
TRP A  40
ASP A 245
 XYP  A 401 (-2.8A)
XYP  A 401 (-3.3A)
XYP  A 401 (-3.9A)
None
XYP  A 401 (-2.4A)
 1.15A 3phaA-4ywhA:
undetectable		 3phaA-4ywhA:
20.83
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.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		5 / 12 GLU A 265
THR A  96
TYR A 153
VAL A 313
GLY A 232
 XYP  A 403 (-3.1A)
None
None
None
None
 1.06A 3sglA-4pueA:
undetectable		 3sglA-4pueA:
20.85
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.
3SUF_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 1px8 BETA-XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 TYR A  50
LEU A  29
ARG A  52
 None
None
XYP  A 601 ( 4.9A)
 0.79A 3sufB-1px8A:
0.0		 3sufB-1px8A:
16.97
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.
3TWP_A_SALA404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		4 / 7 ALA A 358
TYR A 271
ARG A 328
ALA A 329
 None
None
XYP  A 401 (-3.3A)
None
 0.99A 3twpA-4pueA:
undetectable		 3twpA-4pueA:
22.62
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)		 2y24 XYLANASE
(Dickeya
chrysanthemi) 		4 / 8 PHE A 182
GLY A 179
GLY A 229
ASN A 164
 None
None
None
XYP  A1001 (-3.1A)
 0.99A 3v3nB-2y24A:
undetectable		 3v3nB-2y24A:
24.04
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.
3V3N_C_MIYC2001_1
(TETX2 PROTEIN)		 2y24 XYLANASE
(Dickeya
chrysanthemi) 		4 / 8 PHE A 182
GLY A 179
GLY A 229
ASN A 164
 None
None
None
XYP  A1001 (-3.1A)
 0.99A 3v3nC-2y24A:
undetectable		 3v3nC-2y24A:
24.04
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.
3W9T_A_W9TA1001_1
(HEMOLYTIC LECTIN
CEL-III)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		4 / 5 ASP A 408
VAL A 410
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-4.5A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.50A 3w9tA-1v6uA:
18.4		 3w9tA-1v6uA:
20.97
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.
3W9T_B_W9TB503_1
(HEMOLYTIC LECTIN
CEL-III)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		4 / 5 ASP A 408
VAL A 410
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-4.5A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.49A 3w9tB-1v6uA:
8.7		 3w9tB-1v6uA:
20.97
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.
3W9T_C_W9TC1001_1
(HEMOLYTIC LECTIN
CEL-III)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		4 / 5 ASP A 408
VAL A 410
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-4.5A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.50A 3w9tC-1v6uA:
15.0		 3w9tC-1v6uA:
20.97
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.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		3 / 3 ASP A 408
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.58A 3w9tC-1v6uA:
7.8		 3w9tC-1v6uA:
20.97
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.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A 202
GLY A 162
TYR A 203
 None
None
XYP  A 402 ( 3.9A)
 0.77A 3w9tC-4pueA:
undetectable		 3w9tC-4pueA:
19.91
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.
3W9T_D_W9TD502_1
(HEMOLYTIC LECTIN
CEL-III)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		4 / 5 ASP A 408
VAL A 410
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-4.5A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.49A 3w9tD-1v6uA:
18.8		 3w9tD-1v6uA:
20.97
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.
3W9T_E_W9TE504_1
(HEMOLYTIC LECTIN
CEL-III)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		4 / 5 ASP A 408
VAL A 410
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-4.5A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.50A 3w9tE-1v6uA:
8.9		 3w9tE-1v6uA:
20.97
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.
3W9T_F_W9TF504_1
(HEMOLYTIC LECTIN
CEL-III)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		4 / 5 ASP A 408
VAL A 410
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-4.5A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.48A 3w9tF-1v6uA:
18.8		 3w9tF-1v6uA:
20.97
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.
3W9T_G_W9TG503_1
(HEMOLYTIC LECTIN
CEL-III)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		3 / 3 ASP A 408
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.58A 3w9tG-1v6uA:
9.0		 3w9tG-1v6uA:
20.97
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.
3W9T_G_W9TG503_1
(HEMOLYTIC LECTIN
CEL-III)		 4pue ENDO-1,4-BETA-XYLANA
SE
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A 202
GLY A 162
TYR A 203
 None
None
XYP  A 402 ( 3.9A)
 0.77A 3w9tG-4pueA:
undetectable		 3w9tG-4pueA:
19.91
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.
3W9T_G_W9TG504_1
(HEMOLYTIC LECTIN
CEL-III)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		4 / 5 ASP A 408
VAL A 410
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-4.5A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.49A 3w9tG-1v6uA:
18.8		 3w9tG-1v6uA:
20.97
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.
3ZQ8_A_DVAA8_0
(VAL-GRAMICIDIN A)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		3 / 3 VAL A 500
TRP A 552
TRP A 560
 None
XYP  A1609 ( 4.1A)
XYP  A1609 ( 4.0A)
 1.33A 3zq8A-1us2A:
undetectable
3zq8B-1us2A:
undetectable		 3zq8A-1us2A:
3.14
3zq8B-1us2A:
3.14
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.
3ZQ8_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 244
TRP A 291
TRP A 299
 None
XYP  A 450 ( 4.1A)
XYP  A 450 ( 4.0A)
 1.37A 3zq8A-3msgA:
undetectable
3zq8B-3msgA:
undetectable		 3zq8A-3msgA:
4.10
3zq8B-3msgA:
4.10
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.
3ZQ8_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 VAL A 298
TRP A 292
TRP A 300
 None
XYP  A 401 (-4.2A)
XYP  A 402 (-4.1A)
 0.99A 3zq8A-3w25A:
undetectable
3zq8B-3w25A:
undetectable		 3zq8A-3w25A:
3.79
3zq8B-3w25A:
3.79
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.
3ZQ8_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3w25 GLYCOSIDE HYDROLASE
FAMILY 10
(Thermoanaerobact
erium
saccharolyticum) 		3 / 3 VAL A 298
TRP A 300
TRP A 292
 None
XYP  A 402 (-4.1A)
XYP  A 401 (-4.2A)
 1.30A 3zq8A-3w25A:
undetectable
3zq8B-3w25A:
undetectable		 3zq8A-3w25A:
3.79
3zq8B-3w25A:
3.79
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.
3ZQ8_D_DVAD8_0
(VAL-GRAMICIDIN A)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		3 / 3 TRP A 560
VAL A 551
TRP A 552
 XYP  A1609 ( 4.0A)
None
XYP  A1609 ( 4.1A)
 0.95A 3zq8C-1us2A:
undetectable
3zq8D-1us2A:
undetectable		 3zq8C-1us2A:
3.14
3zq8D-1us2A:
3.14
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.
3ZQ8_D_DVAD8_0
(VAL-GRAMICIDIN A)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		3 / 3 TRP A 274
VAL A 265
TRP A 266
 XYP  A 452 (-4.3A)
None
XYP  A 451 ( 4.1A)
 0.93A 3zq8C-1v6uA:
undetectable
3zq8D-1v6uA:
undetectable		 3zq8C-1v6uA:
5.11
3zq8D-1v6uA:
5.11
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.
3ZQ8_D_DVAD8_0
(VAL-GRAMICIDIN A)		 2w5f ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		3 / 3 TRP A 512
VAL A 503
TRP A 504
 XYP  A1001 (-4.0A)
None
XYP  A1002 (-4.2A)
 0.92A 3zq8C-2w5fA:
undetectable
3zq8D-2w5fA:
undetectable		 3zq8C-2w5fA:
3.81
3zq8D-2w5fA:
3.81
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.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 1us2 ENDO-BETA-1,4-XYLANA
SE
(Cellvibrio
japonicus) 		5 / 12 VAL A 486
GLN A 466
THR A 496
ILE A 436
PHE A 465
 None
XYP  A1609 (-2.7A)
None
None
None
 1.45A 4c49D-1us2A:
undetectable		 4c49D-1us2A:
21.54
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.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Clostridium
beijerinckii) 		5 / 11 ARG X 155
GLY X 146
VAL X 149
SER X 177
ASP X 178
 XYP  X 500 (-3.2A)
None
None
None
None
 1.30A 4d9hA-5xsjX:
3.9		 4d9hA-5xsjX:
22.81
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.
4FUB_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2w5f ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		3 / 3 TYR A 332
ARG A 274
HIS A 276
 None
None
XYP  A1001 (-3.9A)
 1.19A 4fubA-2w5fA:
undetectable		 4fubA-2w5fA:
18.28
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.
4MJ8_A_SPMA201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 1px8 BETA-XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		4 / 8 GLU A  99
GLU A 160
GLU A 323
TYR A 278
 None
XYP  A 601 (-2.2A)
XYP  A 601 (-2.6A)
None
 0.85A 4mj8A-1px8A:
undetectable
4mj8C-1px8A:
1.2		 4mj8A-1px8A:
17.04
4mj8C-1px8A:
17.04
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.
4N49_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 4 ASN A 361
GLY A 362
ASP A 290
ASP A 365
 None
None
None
XYP  A1719 (-3.3A)
 1.35A 4n49A-1gqjA:
undetectable		 4n49A-1gqjA:
20.85
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 8 HIS A 521
ASP A 365
SER A 291
PHE A 327
 XYP  A1719 (-4.1A)
XYP  A1719 (-3.3A)
None
None
 1.22A 4ndnA-1gqjA:
undetectable		 4ndnA-1gqjA:
20.37
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.
4NDN_C_SAMC405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 7 HIS A 521
ASP A 365
SER A 291
PHE A 327
 XYP  A1719 (-4.1A)
XYP  A1719 (-3.3A)
None
None
 1.23A 4ndnC-1gqjA:
undetectable		 4ndnC-1gqjA:
20.37
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.
4O0O_A_URFA303_1
(RRNA N-GLYCOSIDASE)		 2w5f ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		4 / 5 TYR A 396
ASN A 394
TYR A 393
ILE A 407
 XYP  A1001 ( 4.8A)
None
None
None
 1.30A 4o0oA-2w5fA:
undetectable		 4o0oA-2w5fA:
18.01
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.
4O0O_A_URFA303_1
(RRNA N-GLYCOSIDASE)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		4 / 5 TYR A 179
ASN A 177
TYR A 176
ILE A 190
 XYP  A 449 (-3.4A)
None
None
None
 1.32A 4o0oA-3msgA:
undetectable		 4o0oA-3msgA:
21.52
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.
4O0O_A_URFA303_1
(RRNA N-GLYCOSIDASE)		 5ofk GLYCOSIDE HYDROLASE
FAMILY 48
(Caldicellulosiru
ptor
bescii) 		4 / 5 TYR A 185
ASN A 183
TYR A 182
ILE A 196
 XYP  A 412 (-3.6A)
None
None
None
 1.33A 4o0oA-5ofkA:
undetectable		 4o0oA-5ofkA:
21.83
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.
4ODJ_A_SAMA500_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 7 HIS A 521
ASP A 365
SER A 291
PHE A 327
 XYP  A1719 (-4.1A)
XYP  A1719 (-3.3A)
None
None
 1.25A 4odjA-1gqjA:
undetectable		 4odjA-1gqjA:
19.01
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.
4PEV_A_ADNA501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		3 / 3 PRO A 539
LEU A 538
HIS A 528
 None
None
XYP  A1719 (-4.4A)
 0.69A 4pevA-1gqjA:
3.8		 4pevA-1gqjA:
21.40
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.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 4g68 ABC TRANSPORTER
(Caldanaerobius) 		4 / 7 TYR B 301
TRP B 191
ILE B 380
LEU B 343
 None
XYP  B 802 (-4.2A)
None
None
 1.16A 4xo7B-4g68B:
undetectable		 4xo7B-4g68B:
22.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y9T_A_PA1A401_1
(ABC TRANSPORTER,
SOLUTE BINDING
PROTEIN)		 4ywh ABC TRANSPORTER
SOLUTE BINDING
PROTEIN
(Actinobacillus
succinogenes) 		5 / 12 ASP A 245
ASP A 113
ARG A 114
ASP A 158
TRP A 192
 XYP  A 401 (-2.4A)
XYP  A 401 (-3.3A)
XYP  A 401 (-3.9A)
XYP  A 401 (-2.8A)
XYP  A 401 (-3.2A)
 1.17A 4y9tA-4ywhA:
35.8		 4y9tA-4ywhA:
31.37
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.
5A1I_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 7 HIS A 521
ASP A 365
SER A 291
PHE A 327
 XYP  A1719 (-4.1A)
XYP  A1719 (-3.3A)
None
None
 1.26A 5a1iA-1gqjA:
undetectable		 5a1iA-1gqjA:
20.37
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.
5ADE_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		4 / 6 VAL A  46
ARG A 122
TRP A  18
TRP A  79
 XYP  A 202 (-4.9A)
XYP  A 203 (-3.7A)
XYP  A 202 (-4.1A)
XYP  A 202 (-4.7A)
 1.49A 5adeA-4hk9A:
undetectable
5adeB-4hk9A:
undetectable		 5adeA-4hk9A:
16.38
5adeB-4hk9A:
16.38
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.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 1v6u ENDO-1,4-BETA-D-XYLA
NASE
(Streptomyces
olivaceoviridis) 		3 / 3 ASN A 173
SER A 212
ARG A 275
 XYP  A 457 (-3.4A)
XYP  A 457 (-3.1A)
XYP  A 457 ( 3.2A)
 0.73A 5b2qA-1v6uA:
1.2		 5b2qA-1v6uA:
12.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5BR1_A_X6XA401_1
(ABC TRANSPORTER,
BINDING PROTEIN)		 4ywh ABC TRANSPORTER
SOLUTE BINDING
PROTEIN
(Actinobacillus
succinogenes) 		5 / 11 ASP A 245
ASP A 113
ARG A 114
ASP A 158
TRP A 192
 XYP  A 401 (-2.4A)
XYP  A 401 (-3.3A)
XYP  A 401 (-3.9A)
XYP  A 401 (-2.8A)
XYP  A 401 (-3.2A)
 1.12A 5br1A-4ywhA:
35.8		 5br1A-4ywhA:
31.37
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN
(Bifidobacterium
animalis) 		5 / 12 GLY A 390
GLY A  98
ALA A 421
ASP A 386
LEU A 397
 None
None
None
XYP  A1002 (-2.8A)
None
 1.19A 5c0oE-4c1tA:
undetectable		 5c0oE-4c1tA:
22.25
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		 3vsv XYLOSIDASE
(Thermoanaerobact
erium
saccharolyticum) 		4 / 8 HIS A 369
ARG A 389
HIS A 415
THR A 609
 XYP  A 706 (-4.6A)
XYP  A 706 (-3.5A)
None
None
 1.31A 5db5A-3vsvA:
undetectable
5db5B-3vsvA:
undetectable		 5db5A-3vsvA:
21.16
5db5B-3vsvA:
21.16
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.
5ECM_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 5 THR A 544
ALA A 545
THR A 535
HIS A 521
 None
None
None
XYP  A1719 (-4.1A)
 1.31A 5ecmA-1gqjA:
0.4		 5ecmA-1gqjA:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		6 / 8 THR A 100
TYR A 118
THR A 120
ARG A 122
GLN A 136
TRP A 138
 None
None
None
XYP  A 203 (-3.7A)
XYP  A 203 (-4.0A)
None
 0.94A 5tzoA-4hk9A:
29.2		 5tzoA-4hk9A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_A_7V7A202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3vzm ENDO-1,4-BETA-XYLANA
SE
(Bacillus
circulans) 		7 / 12 VAL A  37
TRP A  71
TYR A  80
PRO A 116
TRP A 129
TYR A 166
GLY A 173
 XYP  A 202 (-4.9A)
XYP  A 202 ( 4.9A)
None
DFX  A 201 (-3.9A)
None
XYP  A 202 (-4.7A)
None
 0.48A 5tzoA-3vzmA:
35.1		 5tzoA-3vzmA:
91.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_A_7V7A202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		7 / 12 VAL A  46
TRP A  79
TYR A  88
PRO A 126
TRP A 138
TYR A 171
GLY A 178
 XYP  A 202 (-4.9A)
XYP  A 202 (-4.7A)
None
XYP  A 203 ( 4.0A)
None
XYP  A 202 (-4.7A)
None
 0.72A 5tzoA-4hk9A:
29.2		 5tzoA-4hk9A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_B_7V7B201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3vzm ENDO-1,4-BETA-XYLANA
SE
(Bacillus
circulans) 		6 / 12 VAL A  37
TRP A  71
TYR A  80
TRP A 129
TYR A 166
GLY A 173
 XYP  A 202 (-4.9A)
XYP  A 202 ( 4.9A)
None
None
XYP  A 202 (-4.7A)
None
 0.58A 5tzoB-3vzmA:
35.0		 5tzoB-3vzmA:
91.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_B_7V7B201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		6 / 12 VAL A  46
TRP A  79
TYR A  88
TRP A 138
TYR A 171
GLY A 178
 XYP  A 202 (-4.9A)
XYP  A 202 (-4.7A)
None
None
XYP  A 202 (-4.7A)
None
 0.71A 5tzoB-4hk9A:
29.4		 5tzoB-4hk9A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_B_7V7B201_2
(ENDO-1,4-BETA-XYLANA
SE A)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		3 / 3 ARG A 122
PRO A 126
TYR A 179
 XYP  A 203 (-3.7A)
XYP  A 203 ( 4.0A)
None
 0.36A 5tzoB-4hk9A:
29.4		 5tzoB-4hk9A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_B_7V7B202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		6 / 8 THR A 100
TYR A 118
THR A 120
ARG A 122
GLN A 136
TRP A 138
 None
None
None
XYP  A 203 (-3.7A)
XYP  A 203 (-4.0A)
None
 0.88A 5tzoB-4hk9A:
29.4		 5tzoB-4hk9A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_C_7V7C201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3vzm ENDO-1,4-BETA-XYLANA
SE
(Bacillus
circulans) 		7 / 12 VAL A  37
TRP A  71
TYR A  80
PRO A 116
TRP A 129
TYR A 166
GLY A 173
 XYP  A 202 (-4.9A)
XYP  A 202 ( 4.9A)
None
DFX  A 201 (-3.9A)
None
XYP  A 202 (-4.7A)
None
 0.53A 5tzoC-3vzmA:
35.1		 5tzoC-3vzmA:
91.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_C_7V7C201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		7 / 12 VAL A  46
TRP A  79
TYR A  88
PRO A 126
TRP A 138
TYR A 171
GLY A 178
 XYP  A 202 (-4.9A)
XYP  A 202 (-4.7A)
None
XYP  A 203 ( 4.0A)
None
XYP  A 202 (-4.7A)
None
 0.79A 5tzoC-4hk9A:
29.1		 5tzoC-4hk9A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_C_7V7C202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4hk9 ENDO-1,4-BETA-XYLANA
SE 2
(Trichoderma
reesei) 		6 / 8 THR A 100
TYR A 118
THR A 120
ARG A 122
GLN A 136
TRP A 138
 None
None
None
XYP  A 203 (-3.7A)
XYP  A 203 (-4.0A)
None
 0.91A 5tzoC-4hk9A:
29.1		 5tzoC-4hk9A:
50.00
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.
5V1S_A_SAMA604_0
(RADICAL SAM)		 2w5f ENDO-1,4-BETA-XYLANA
SE Y
(Ruminiclostridiu
m
thermocellum) 		5 / 9 LEU A 209
GLU A 233
THR A 213
TYR A  84
SER A  85
 None
XYP  A1002 (-3.5A)
None
None
None
 1.49A 5v1sA-2w5fA:
0.0		 5v1sA-2w5fA:
24.43
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN
(Bifidobacterium
animalis) 		5 / 12 PHE A 134
ILE A 105
GLY A  98
THR A 387
PHE A 320
 None
None
None
XYP  A1002 ( 4.8A)
None
 1.37A 5v5zA-4c1tA:
undetectable		 5v5zA-4c1tA:
21.48
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.
5VLM_A_CVIA301_1
(REGULATORY PROTEIN
TETR)		 4g68 ABC TRANSPORTER
(Caldanaerobius) 		4 / 8 GLY B 342
TRP B 191
ARG B 246
ASP B 267
 None
XYP  B 802 (-4.2A)
XYP  B 801 ( 3.0A)
None
 0.94A 5vlmA-4g68B:
undetectable		 5vlmA-4g68B:
17.49
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 4g68 ABC TRANSPORTER
(Caldanaerobius) 		4 / 8 GLY B 342
TRP B 191
ARG B 246
ASP B 267
 None
XYP  B 802 (-4.2A)
XYP  B 801 ( 3.0A)
None
 0.96A 5vlmB-4g68B:
undetectable		 5vlmB-4g68B:
17.49
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.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN
(Bifidobacterium
animalis) 		5 / 10 GLY A  45
ARG A  46
TRP A  49
ILE A  67
ALA A  69
 XYP  A1004 ( 4.8A)
None
None
None
None
 1.43A 5zjiA-4c1tA:
undetectable
5zjiJ-4c1tA:
undetectable		 5zjiA-4c1tA:
13.88
5zjiJ-4c1tA:
8.36
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		 2y24 XYLANASE
(Dickeya
chrysanthemi) 		4 / 7 SER A 161
HIS A 230
GLY A 229
ARG A  81
 None
None
None
XYP  A1001 ( 4.9A)
 1.03A 6btxA-2y24A:
undetectable		 6btxA-2y24A:
22.63
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.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 4ywh ABC TRANSPORTER
SOLUTE BINDING
PROTEIN
(Actinobacillus
succinogenes) 		5 / 12 ALA A 246
ASP A 245
ASP A 247
VAL A 255
ILE A 251
 None
XYP  A 401 (-2.4A)
None
None
None
 1.12A 6difA-4ywhA:
undetectable		 6difA-4ywhA:
12.54
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 8 ASP A 542
ILE A 333
ARG A 336
ARG A 540
 None
None
XYP  A1719 (-3.0A)
None
 1.20A 6hisA-1gqjA:
0.0
6hisB-1gqjA:
0.0		 6hisA-1gqjA:
8.62
6hisB-1gqjA:
8.62
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 8 ASP A 542
ILE A 333
ARG A 336
ARG A 540
 None
None
XYP  A1719 (-3.0A)
None
 1.20A 6hisB-1gqjA:
0.0
6hisC-1gqjA:
0.0		 6hisB-1gqjA:
8.62
6hisC-1gqjA:
8.62
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 8 ASP A 542
ILE A 333
ARG A 336
ARG A 540
 None
None
XYP  A1719 (-3.0A)
None
 1.20A 6hisC-1gqjA:
0.0
6hisD-1gqjA:
0.0		 6hisC-1gqjA:
8.62
6hisD-1gqjA:
8.62
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 8 ASP A 542
ILE A 333
ARG A 336
ARG A 540
 None
None
XYP  A1719 (-3.0A)
None
 1.20A 6hisD-1gqjA:
0.0
6hisE-1gqjA:
0.0		 6hisD-1gqjA:
8.62
6hisE-1gqjA:
8.62
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1gqj ALPHA-D-GLUCURONIDAS
E
(Cellvibrio
japonicus) 		4 / 8 ASP A 542
ILE A 333
ARG A 336
ARG A 540
 None
None
XYP  A1719 (-3.0A)
None
 1.20A 6hisA-1gqjA:
0.0
6hisE-1gqjA:
0.0		 6hisA-1gqjA:
8.62
6hisE-1gqjA:
8.62