SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ta3'

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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		5 / 12 LEU A 143
SER A  76
ILE A  77
LEU A  95
THR A 178
 None
 1.20A 1ddsB-1ta3A:
undetectable		 1ddsB-1ta3A:
21.43
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.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		4 / 6 VAL A 123
GLY A 122
LEU A 156
GLU A 142
 None
 1.01A 1fduD-1ta3A:
2.3		 1fduD-1ta3A:
24.03
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.
1FPQ_A_SAMA1699_0
(ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		5 / 10 GLY B 200
ASN B 169
LEU B 192
VAL B 188
ALA B 233
 None
 1.36A 1fpqA-1ta3B:
undetectable		 1fpqA-1ta3B:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GMK_D_DVAD8_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 TRP B 274
VAL B 265
TRP B 266
 None
 1.34A 1gmkC-1ta3B:
undetectable
1gmkD-1ta3B:
undetectable		 1gmkC-1ta3B:
4.09
1gmkD-1ta3B:
4.09
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.
1JNO_A_DVAA6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.86A 1jnoA-1ta3B:
undetectable		 1jnoA-1ta3B:
4.09
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.
1JNO_B_DVAB6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.86A 1jnoB-1ta3B:
undetectable		 1jnoB-1ta3B:
4.09
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.
1JO3_A_DVAA6_0
(GRAMICIDIN B)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.77A 1jo3A-1ta3B:
undetectable		 1jo3A-1ta3B:
3.72
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.
1JO3_B_DVAB6_0
(GRAMICIDIN B)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.77A 1jo3B-1ta3B:
undetectable		 1jo3B-1ta3B:
3.72
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.
1JO4_A_DVAA6_0
(GRAMICIDIN C)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.92A 1jo4A-1ta3B:
undetectable		 1jo4A-1ta3B:
4.09
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.
1JO4_B_DVAB6_0
(GRAMICIDIN C)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.92A 1jo4B-1ta3B:
undetectable		 1jo4B-1ta3B:
4.09
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.
1K1Y_A_ACRA660_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
XYLANASE INHIBITOR
PROTEIN I
(Aspergillus
nidulans;
Triticum
aestivum) 		5 / 12 TYR B 178
ASP B 174
TYR B 171
GLU B 132
TRP A 230
 None
 1.27A 1k1yA-1ta3B:
4.7		 1k1yA-1ta3B:
18.12
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.
1MAG_A_DVAA6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.95A 1magA-1ta3B:
undetectable		 1magA-1ta3B:
4.09
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.
1MAG_B_DVAB6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.95A 1magB-1ta3B:
undetectable		 1magB-1ta3B:
4.09
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.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.86A 1ng8A-1ta3B:
undetectable		 1ng8A-1ta3B:
9.52
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.86A 1ng8B-1ta3B:
undetectable		 1ng8B-1ta3B:
9.52
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.
1NH8_A_HISA289_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
ENDO-1,4-BETA-XYLANA
SE
(Triticum
aestivum;
Aspergillus
nidulans) 		4 / 5 ASP B 238
ASP B 278
LEU A 269
ALA B 240
 None
None
EDO  B1007 (-4.5A)
None
 1.08A 1nh8A-1ta3B:
undetectable		 1nh8A-1ta3B:
21.79
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.
1NRM_A_DVAA6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.90A 1nrmA-1ta3B:
undetectable		 1nrmA-1ta3B:
4.09
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.
1NRM_B_DVAB6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.90A 1nrmB-1ta3B:
undetectable		 1nrmB-1ta3B:
4.09
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.
1NRU_A_DVAA6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.86A 1nruA-1ta3B:
undetectable		 1nruA-1ta3B:
4.09
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.
1NRU_B_DVAB6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.86A 1nruB-1ta3B:
undetectable		 1nruB-1ta3B:
4.09
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.
1NT5_A_DVAA6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.89A 1nt5A-1ta3B:
undetectable		 1nt5A-1ta3B:
5.53
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.
1NT5_B_DVAB6_0
(GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.89A 1nt5B-1ta3B:
undetectable		 1nt5B-1ta3B:
5.53
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.
1NT6_A_DVAA6_0
(GRAMICIDIN C)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.87A 1nt6A-1ta3B:
undetectable		 1nt6A-1ta3B:
7.04
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.
1NT6_A_DVAA8_0
(GRAMICIDIN C)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		4 / 5 GLY A 220
VAL A 186
TRP A 208
TRP A 201
 None
None
None
EDO  B1001 (-4.3A)
 1.19A 1nt6A-1ta3A:
undetectable		 1nt6A-1ta3A:
5.99
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.
1NT6_B_DVAB6_0
(GRAMICIDIN C)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 ALA B 183
VAL B 188
TRP B 191
 None
 0.87A 1nt6B-1ta3B:
undetectable		 1nt6B-1ta3B:
7.04
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.
1NT6_B_DVAB8_0
(GRAMICIDIN C)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		4 / 5 GLY A 220
VAL A 186
TRP A 208
TRP A 201
 None
None
None
EDO  B1001 (-4.3A)
 1.19A 1nt6B-1ta3A:
undetectable		 1nt6B-1ta3A:
5.99
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.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		5 / 12 GLY A  78
GLY A  79
GLY A  81
ASP A 124
ASP A  50
 None
 1.21A 1wg8B-1ta3A:
undetectable		 1wg8B-1ta3A:
21.79
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		4 / 5 LEU A 176
PHE A 217
VAL A 162
ALA A 160
 None
 1.07A 2cizA-1ta3A:
undetectable		 2cizA-1ta3A:
23.87
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		5 / 11 GLU B 257
GLY B 228
THR B 227
LEU B 221
GLY B 200
 None
 1.05A 2fn1A-1ta3B:
undetectable		 2fn1A-1ta3B:
20.50
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.
2NV4_A_ACTA148_0
(UPF0066 PROTEIN
AF_0241)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 VAL B 112
GLU B  52
GLU B 111
 None
 0.76A 2nv4A-1ta3B:
undetectable		 2nv4A-1ta3B:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WLK_B_SPMB1302_1
(ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 10)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		4 / 4 ALA A 241
TYR A 237
ALA A 274
TYR A 273
 None
None
None
EDO  B1007 ( 4.9A)
 1.25A 2wlkA-1ta3A:
undetectable
2wlkB-1ta3A:
0.0		 2wlkA-1ta3A:
20.62
2wlkB-1ta3A:
20.62
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		3 / 3 ARG A 187
GLU A 190
SER A  52
 None
 0.79A 2xctD-1ta3A:
undetectable		 2xctD-1ta3A:
17.62
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.
2Y6N_B_DVAB8_0
(VAL-GRAMICIDIN A)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 TRP B 266
VAL B 268
TRP B 274
 None
 1.34A 2y6nA-1ta3B:
undetectable
2y6nB-1ta3B:
undetectable		 2y6nA-1ta3B:
4.09
2y6nB-1ta3B:
4.09
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.
3AIA_A_SAMA206_0
(UPF0217 PROTEIN
MJ1640)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		4 / 6 LEU B 282
GLY B 267
LEU B   3
SER B   2
 None
 0.94A 3aiaA-1ta3B:
undetectable		 3aiaA-1ta3B:
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		4 / 5 ASN A 147
ALA A 214
LEU A 176
THR A   9
 None
 0.90A 3dl9A-1ta3A:
undetectable		 3dl9A-1ta3A:
20.80
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.
3FL9_H_TOPH200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		5 / 9 ALA A 175
LEU A 158
ILE A  77
LEU A  99
THR A 178
 None
 1.21A 3fl9H-1ta3A:
undetectable		 3fl9H-1ta3A:
20.91
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.
3KP6_A_SALA3002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		5 / 8 VAL B  67
LEU B  66
ILE B 120
VAL B  77
ARG B  78
 None
 1.14A 3kp6A-1ta3B:
undetectable
3kp6B-1ta3B:
undetectable		 3kp6A-1ta3B:
17.32
3kp6B-1ta3B:
17.32
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.
3N8X_B_NIMB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		5 / 12 HIS B 211
GLY B 219
ALA B 220
SER B 223
LEU B 224
 None
 1.01A 3n8xB-1ta3B:
undetectable		 3n8xB-1ta3B:
19.41
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.
3RLB_B_VIBB187_1
(THIT)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		5 / 12 GLU B 231
TYR B 167
HIS B 122
GLY B  79
VAL B 125
 None
 1.26A 3rlbB-1ta3B:
0.0		 3rlbB-1ta3B:
21.99
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
ENDO-1,4-BETA-XYLANA
SE
(Triticum
aestivum;
Aspergillus
nidulans) 		3 / 3 HIS B  85
SER B  93
ASN A 196
 None
 0.72A 3s8pB-1ta3B:
undetectable		 3s8pB-1ta3B:
21.53
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.
3UJ7_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 SER B 210
ASP B 174
ASP B 170
 NAG  A 900 (-3.6A)
None
None
 0.92A 3uj7A-1ta3B:
undetectable		 3uj7A-1ta3B:
21.63
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.
3VHU_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		4 / 5 LEU A  51
LEU A  75
SER A  74
MET A  32
 None
 0.99A 3vhuA-1ta3A:
undetectable		 3vhuA-1ta3A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FUB_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 TYR B 207
ARG B 275
HIS B 206
 None
 1.23A 4fubA-1ta3B:
undetectable		 4fubA-1ta3B:
22.37
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.
4HB6_A_DXCA75_0
(PPCA)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		4 / 8 ILE B 296
LEU B   3
ILE B 234
GLY B 267
 None
 0.89A 4hb6A-1ta3B:
undetectable		 4hb6A-1ta3B:
11.03
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.
4K50_I_ACTI507_0
(RNA POLYMERASE
3D-POL)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		3 / 3 LYS A 108
PRO A 109
SER A 110
 None
 0.36A 4k50I-1ta3A:
0.0		 4k50I-1ta3A:
19.56
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.
4OLM_A_198A1001_1
(ANDROGEN RECEPTOR)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		5 / 12 LEU A  75
LEU A 120
GLY A 122
MET A  32
HIS A 185
 None
 1.30A 4olmA-1ta3A:
undetectable		 4olmA-1ta3A:
18.52
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.
4P65_G_IPHG101_0
(INSULIN)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		5 / 11 VAL A 123
LEU A 143
LEU A  86
LEU A  95
ALA A  92
 None
 1.13A 4p65B-1ta3A:
undetectable
4p65D-1ta3A:
undetectable
4p65G-1ta3A:
undetectable
4p65H-1ta3A:
undetectable		 4p65B-1ta3A:
10.73
4p65D-1ta3A:
10.73
4p65G-1ta3A:
8.38
4p65H-1ta3A:
10.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		6 / 12 VAL A  33
LEU A 120
ASP A  62
ILE A  63
GLY A  60
LEU A  51
 None
 1.48A 4y8wA-1ta3A:
undetectable		 4y8wA-1ta3A:
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.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		6 / 12 VAL A  33
LEU A 120
ASP A  62
ILE A  63
GLY A  60
LEU A  51
 None
 1.49A 4y8wB-1ta3A:
undetectable		 4y8wB-1ta3A:
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.
5GQB_A_GCSA603_1
(CHITINASE)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		4 / 8 PHE A  37
GLY A  79
TYR A 189
TRP A 256
 None
 0.82A 5gqbA-1ta3A:
10.6		 5gqbA-1ta3A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		4 / 6 SER B  45
GLY B  79
MET B  46
ILE B  40
 None
 1.09A 5j4nA-1ta3B:
undetectable		 5j4nA-1ta3B:
21.79
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		5 / 12 ILE B 239
PHE B   7
SER B  13
ARG B  78
ALA B 233
 None
 1.27A 5oy02-1ta3B:
undetectable		 5oy02-1ta3B:
11.95
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.
5TE8_C_08JC602_1
(CYTOCHROME P450 3A4)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		4 / 7 ALA A 175
THR A 178
ILE A 180
LEU A 141
 None
 0.94A 5te8C-1ta3A:
undetectable		 5te8C-1ta3A:
17.76
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		4 / 7 ARG B 158
TYR B 167
GLU B 231
SER B 230
 EDO  B1006 (-4.2A)
None
None
None
 1.24A 5umwA-1ta3B:
undetectable
5umwF-1ta3B:
undetectable		 5umwA-1ta3B:
12.88
5umwF-1ta3B:
12.88
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		4 / 7 VAL B 229
TYR B 167
GLU B 231
SER B 230
 None
 1.23A 5umwA-1ta3B:
undetectable
5umwF-1ta3B:
undetectable		 5umwA-1ta3B:
12.88
5umwF-1ta3B:
12.88
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.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
ENDO-1,4-BETA-XYLANA
SE
(Triticum
aestivum;
Aspergillus
nidulans) 		3 / 3 GLU B 132
TRP B 212
HIS A 232
 None
 0.77A 5xipA-1ta3B:
undetectable		 5xipA-1ta3B:
20.12
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.
6AG0_C_ACRC608_1
(ALPHA-AMYLASE)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		3 / 3 TYR B 293
ALA B 299
LEU B 300
 None
 0.56A 6ag0C-1ta3B:
5.5		 6ag0C-1ta3B:
13.16
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.
6HLO_A_GBQA1501_1
(SUBSTANCE-P
RECEPTOR,GLGA
GLYCOGEN
SYNTHASE,SUBSTANCE-P
RECEPTOR)		 1ta3 XYLANASE INHIBITOR
PROTEIN I
(Triticum
aestivum) 		5 / 9 ILE A 270
GLN A 197
GLU A 202
VAL A 219
ILE A 253
 None
 1.49A 6hloA-1ta3A:
undetectable		 6hloA-1ta3A:
19.47