SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2xfg'

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.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE B 478
ALA B 468
LEU B 588
ILE B 599
PHE B 577
 None
 1.09A 1bsxA-2xfgB:
undetectable		 1bsxA-2xfgB:
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.
1BSX_B_T3B2_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE B 478
ALA B 468
LEU B 588
ILE B 599
PHE B 577
 None
 1.09A 1bsxB-2xfgB:
undetectable		 1bsxB-2xfgB:
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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 GLY B 557
GLY B 556
TRP A 129
HIS A 376
 None
 0.78A 1dbbH-2xfgB:
2.1
1dbbL-2xfgB:
undetectable		 1dbbH-2xfgB:
23.56
1dbbL-2xfgB:
20.36
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.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 ALA A 226
LEU A 180
ALA A 183
LYS A 184
 None
 0.52A 1e7cA-2xfgA:
0.8		 1e7cA-2xfgA:
21.01
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 VAL A  61
ARG A 318
GLU A 423
ASP A  59
 None
 0.98A 1s3zA-2xfgA:
undetectable
1s3zB-2xfgA:
undetectable		 1s3zA-2xfgA:
16.44
1s3zB-2xfgA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VID_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 5 SER A 208
GLU A 156
TYR A  69
SER A 217
 CA  A1447 (-4.7A)
None
None
None
 1.29A 1vidA-2xfgA:
undetectable		 1vidA-2xfgA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 PHE A 347
ALA A 257
HIS A 288
LEU A 326
 None
 1.04A 1x8vA-2xfgA:
undetectable		 1x8vA-2xfgA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZLQ_A_ACTA1507_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 GLN A  20
HIS A 377
ARG A 378
 None
 0.80A 1zlqA-2xfgA:
undetectable		 1zlqA-2xfgA:
22.85
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.
2A3A_A_TEPA1434_1
(CHITINASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 TRP A 260
THR A 152
TYR A 199
 None
CA  A1447 ( 4.7A)
None
 1.18A 2a3aA-2xfgA:
undetectable		 2a3aA-2xfgA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 TRP A 260
THR A 152
TYR A 199
 None
CA  A1447 ( 4.7A)
None
 1.20A 2a3aB-2xfgA:
undetectable		 2a3aB-2xfgA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1434_1
(CHITINASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 TRP A 260
THR A 152
TYR A 199
 None
CA  A1447 ( 4.7A)
None
 1.23A 2a3bA-2xfgA:
undetectable		 2a3bA-2xfgA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 LEU A 308
LEU A 317
TYR A 354
ALA A 324
ALA A 327
 None
 1.12A 2bm9A-2xfgA:
undetectable		 2bm9A-2xfgA:
17.75
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.
2BM9_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 LEU A 308
LEU A 317
TYR A 354
ALA A 324
ALA A 327
 None
 1.09A 2bm9C-2xfgA:
undetectable		 2bm9C-2xfgA:
17.75
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.
2BM9_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 LEU A 308
LEU A 317
TYR A 354
ALA A 324
ALA A 327
 None
 1.13A 2bm9D-2xfgA:
undetectable		 2bm9D-2xfgA:
17.75
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.
2BU8_A_TF4A1379_1
(PYRUVATE
DEHYDROGENASE KINASE
ISOENZYME 2)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 ILE B 480
ILE B 569
ARG B 568
ILE B 478
 None
 0.84A 2bu8A-2xfgB:
undetectable		 2bu8A-2xfgB:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 6 SER A 208
GLU A 156
TYR A  69
SER A 217
 CA  A1447 (-4.7A)
None
None
None
 1.23A 2cl5B-2xfgA:
undetectable		 2cl5B-2xfgA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8D_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 6 VAL A 364
SER A 362
LEU A 436
PHE A   4
 None
 1.29A 2f8dA-2xfgA:
undetectable		 2f8dA-2xfgA:
19.43
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.
2H77_A_T3A1_1
(THRA PROTEIN)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE B 478
ALA B 468
LEU B 588
ILE B 599
PHE B 577
 None
 1.14A 2h77A-2xfgB:
undetectable		 2h77A-2xfgB:
21.38
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.
2R2V_C_ACTC36_0
(GCN4 LEUCINE ZIPPER)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 10 ALA A  72
ALA A 159
ALA A 160
SER A  68
TYR A  69
 None
 1.35A 2r2vC-2xfgA:
undetectable
2r2vF-2xfgA:
undetectable
2r2vG-2xfgA:
undetectable		 2r2vC-2xfgA:
4.94
2r2vF-2xfgA:
4.94
2r2vG-2xfgA:
4.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TYR A 232
LEU A 233
ASP A 234
SER A 176
ALA A 226
 None
 1.46A 2vdmA-2xfgA:
undetectable
2vdmB-2xfgA:
undetectable		 2vdmA-2xfgA:
20.86
2vdmB-2xfgA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W8Y_A_486A1000_1
(PROGESTERONE
RECEPTOR)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A  53
MET A  67
LEU A 161
CYH A 108
VAL A 119
 None
 1.32A 2w8yA-2xfgA:
undetectable		 2w8yA-2xfgA:
18.80
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 GLN A 258
ASP A 261
TYR A 268
SER A 210
 None
CA  A1447 (-4.4A)
None
CA  A1447 (-2.5A)
 1.18A 2xz5C-2xfgA:
undetectable
2xz5D-2xfgA:
undetectable		 2xz5C-2xfgA:
19.48
2xz5D-2xfgA:
19.48
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.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		6 / 12 PHE A 432
GLY A 434
GLY A 431
ALA A 324
VAL A  78
PHE A  85
 None
 1.39A 2zulA-2xfgA:
undetectable		 2zulA-2xfgA:
22.04
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.
3CYX_A_ROCA201_4
(HIV-1 PROTEASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 4 LEU A 216
ASP A 234
VAL A 221
THR A 267
 None
 1.27A 3cyxB-2xfgA:
undetectable		 3cyxB-2xfgA:
12.57
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.
3D9L_A_ACTA501_0
(CTD-PEPTIDE
RNA-BINDING PROTEIN
16)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 5 PRO B 600
ILE B 599
TYR B 583
TYR B 598
 None
 1.34A 3d9lA-2xfgB:
undetectable
3d9lY-2xfgB:
undetectable		 3d9lA-2xfgB:
25.28
3d9lY-2xfgB:
7.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		6 / 12 PHE A 432
GLY A 434
GLY A 431
ALA A 324
VAL A  78
PHE A  85
 None
 1.39A 3dmfA-2xfgA:
undetectable		 3dmfA-2xfgA:
22.04
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		6 / 12 PHE A 432
GLY A 434
GLY A 431
ALA A 324
VAL A  78
PHE A  85
 None
 1.39A 3dmhA-2xfgA:
undetectable		 3dmhA-2xfgA:
22.04
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.
3EEO_A_SAMA328_0
(MODIFICATION
METHYLASE HHAI)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 LEU A  74
GLY A  75
TRP A 260
ASP A 427
ASP A 261
 None
None
None
None
CA  A1447 (-4.4A)
 1.19A 3eeoA-2xfgA:
undetectable		 3eeoA-2xfgA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 10 VAL B 470
ALA B 468
ILE B 599
ILE B 504
ILE B 478
 None
 1.14A 3hbbA-2xfgB:
undetectable		 3hbbA-2xfgB:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU1_A_SAMA226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 VAL A 364
GLY A 400
ALA A 430
GLY A 431
LEU A 436
 None
 0.92A 3ku1A-2xfgA:
undetectable		 3ku1A-2xfgA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU1_C_SAMC226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 VAL A 364
GLY A 400
ALA A 430
GLY A 431
LEU A 436
 None
 0.92A 3ku1C-2xfgA:
undetectable		 3ku1C-2xfgA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MYU_A_VIBA500_1
(HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 10 ASP A 312
TRP A 314
TYR A 428
ASP A 427
GLY A 315
 None
 1.35A 3myuA-2xfgA:
0.0		 3myuA-2xfgA:
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.
3SUE_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 PHE A   4
TYR A 354
LEU A  10
 None
 0.71A 3sueB-2xfgA:
undetectable		 3sueB-2xfgA:
16.12
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.
3VQR_A_ACTA1002_0
(PUTATIVE
OXIDOREDUCTASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ASP A  41
GLY A  39
ASP A  42
THR A  51
 None
 1.23A 3vqrA-2xfgA:
undetectable		 3vqrA-2xfgA:
21.37
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.
3VQR_B_ACTB1002_0
(PUTATIVE
OXIDOREDUCTASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 5 ASP A  41
GLY A  39
ASP A  42
THR A  51
 None
 1.23A 3vqrB-2xfgA:
undetectable		 3vqrB-2xfgA:
21.37
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.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 6 HIS A 126
HIS A 376
GLU A 423
ASP A  59
 None
 1.38A 4apjA-2xfgA:
undetectable
4apjP-2xfgA:
undetectable		 4apjA-2xfgA:
20.36
4apjP-2xfgA:
2.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TYR A  69
GLY A  75
ALA A  72
ILE A  94
ILE A  14
 None
 0.89A 4aztA-2xfgA:
undetectable		 4aztA-2xfgA:
22.28
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 ASN A 422
ASP A 415
ASP A 414
VAL A 365
 None
 0.82A 4f8hA-2xfgA:
undetectable
4f8hB-2xfgA:
undetectable		 4f8hA-2xfgA:
21.75
4f8hB-2xfgA:
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.
4F8H_C_RKEC401_1
(PROTON-GATED ION
CHANNEL)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 ASN A 422
ASP A 415
ASP A 414
VAL A 365
 None
 0.85A 4f8hC-2xfgA:
undetectable
4f8hD-2xfgA:
undetectable		 4f8hC-2xfgA:
21.75
4f8hD-2xfgA:
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.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 ASN A 422
ASP A 415
ASP A 414
VAL A 365
 None
 0.83A 4f8hD-2xfgA:
undetectable
4f8hE-2xfgA:
undetectable		 4f8hD-2xfgA:
21.75
4f8hE-2xfgA:
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.
4F8H_E_RKEE401_1
(PROTON-GATED ION
CHANNEL)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 8 VAL A 365
ASN A 422
ASP A 415
ASP A 414
 None
 0.86A 4f8hA-2xfgA:
undetectable
4f8hE-2xfgA:
undetectable		 4f8hA-2xfgA:
21.75
4f8hE-2xfgA:
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.
4I41_A_MIXA500_2
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 4 LEU A  74
LEU A  10
GLN A 258
GLU A  80
 None
 1.15A 4i41A-2xfgA:
undetectable		 4i41A-2xfgA:
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.
4LNW_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE B 478
ALA B 468
LEU B 588
ILE B 599
PHE B 577
 None
 1.09A 4lnwA-2xfgB:
undetectable		 4lnwA-2xfgB:
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.
4LNX_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE B 478
ALA B 468
LEU B 588
ILE B 599
PHE B 577
 None
 1.08A 4lnxA-2xfgB:
undetectable		 4lnxA-2xfgB:
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.
4NED_A_PFNA709_1
(LACTOTRANSFERRIN)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ASP A 191
SER A 240
ALA A 220
PHE A 187
 None
 1.12A 4nedA-2xfgA:
undetectable		 4nedA-2xfgA:
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.
4UW0_A_SAMA1506_0
(WBDD)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TYR A  69
GLY A  75
ALA A  72
ILE A  94
ILE A  14
 None
 0.95A 4uw0A-2xfgA:
undetectable		 4uw0A-2xfgA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_A_SAMA1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A  75
TYR A  79
TYR A  81
SER A 165
ALA A  72
 None
 1.29A 4ymgA-2xfgA:
undetectable		 4ymgA-2xfgA:
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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A  75
TYR A  79
TYR A  81
SER A 165
ALA A  72
 None
 1.30A 4ymgB-2xfgA:
undetectable		 4ymgB-2xfgA:
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 5 TYR A 199
GLY A 204
TYR A 117
GLY A 120
 None
 1.06A 5ayfA-2xfgA:
undetectable		 5ayfA-2xfgA:
17.95
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.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASN B 540
LEU B 519
PHE B 503
 None
 0.74A 5dsgA-2xfgB:
undetectable		 5dsgA-2xfgB:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2xfg ENDOGLUCANASE 1
ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum;
Ruminiclostridiu
m
thermocellum) 		4 / 7 GLU A 390
GLY B 557
SER A 383
GLY A 130
 None
 0.83A 5e26A-2xfgA:
undetectable
5e26B-2xfgA:
undetectable		 5e26A-2xfgA:
19.25
5e26B-2xfgA:
19.25
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.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 5 SER A 208
GLU A 156
TYR A  69
SER A 217
 CA  A1447 (-4.7A)
None
None
None
 1.26A 5fhrA-2xfgA:
undetectable		 5fhrA-2xfgA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FPD_A_PZAA1385_0
(HEAT SHOCK-RELATED
70KDA PROTEIN 2)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 7 ASN A 422
VAL A 403
ALA A 401
GLY A 366
 None
 0.92A 5fpdA-2xfgA:
undetectable		 5fpdA-2xfgA:
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.
5QGJ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.66A 5qgjA-2xfgB:
undetectable		 5qgjA-2xfgB:
19.25
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.
5QGL_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.69A 5qglA-2xfgB:
undetectable		 5qglA-2xfgB:
19.25
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.
5QGU_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.66A 5qguA-2xfgB:
undetectable		 5qguA-2xfgB:
19.25
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.
5QGV_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.67A 5qgvA-2xfgB:
undetectable		 5qgvA-2xfgB:
19.25
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.
5QGW_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.65A 5qgwA-2xfgB:
undetectable		 5qgwA-2xfgB:
19.25
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.
5QGX_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.66A 5qgxA-2xfgB:
undetectable		 5qgxA-2xfgB:
19.25
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.
5QGY_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.67A 5qgyA-2xfgB:
undetectable		 5qgyA-2xfgB:
19.25
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.
5QGZ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.67A 5qgzA-2xfgB:
undetectable		 5qgzA-2xfgB:
19.25
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.
5QH0_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.67A 5qh0A-2xfgB:
undetectable		 5qh0A-2xfgB:
19.25
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.
5QH1_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.68A 5qh1A-2xfgB:
undetectable		 5qh1A-2xfgB:
19.25
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.
5QH2_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.67A 5qh2A-2xfgB:
undetectable		 5qh2A-2xfgB:
19.25
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.
5QH3_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.67A 5qh3A-2xfgB:
undetectable		 5qh3A-2xfgB:
19.25
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.
5QH4_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.68A 5qh4A-2xfgB:
undetectable		 5qh4A-2xfgB:
19.25
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.
5QH6_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.66A 5qh6A-2xfgB:
undetectable		 5qh6A-2xfgB:
19.25
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.
5QH7_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.67A 5qh7A-2xfgB:
undetectable		 5qh7A-2xfgB:
19.25
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.
5QH9_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.66A 5qh9A-2xfgB:
undetectable		 5qh9A-2xfgB:
19.25
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.
5QHA_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.66A 5qhaA-2xfgB:
undetectable		 5qhaA-2xfgB:
19.25
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.
5QHC_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.69A 5qhcA-2xfgB:
undetectable		 5qhcA-2xfgB:
19.25
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.
5QHE_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.66A 5qheA-2xfgB:
undetectable		 5qheA-2xfgB:
19.25
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.
5QHF_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.65A 5qhfA-2xfgB:
undetectable		 5qhfA-2xfgB:
19.25
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.
5QHG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.69A 5qhgA-2xfgB:
undetectable		 5qhgA-2xfgB:
19.25
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.
5QHH_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		3 / 3 VAL B 544
VAL B 534
GLN B 520
 None
 0.67A 5qhhA-2xfgB:
undetectable		 5qhhA-2xfgB:
19.25
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.
6C2M_D_SUED1202_1
(NS3 PROTEASE)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 9 PHE A 325
LEU A 317
SER A 362
ASP A 353
 None
 0.88A 6c2mD-2xfgA:
undetectable		 6c2mD-2xfgA:
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.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		5 / 11 GLU A 445
PHE A  85
ALA A  77
THR A 321
ALA A 355
 None
 1.36A 6efnA-2xfgA:
undetectable		 6efnA-2xfgA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 2xfg ENDOGLUCANASE 1
(Ruminiclostridiu
m
thermocellum) 		4 / 7 ALA A 401
GLY A 400
ASN A 429
CYH A 426
 None
 0.84A 6nm4A-2xfgA:
undetectable		 6nm4A-2xfgA:
18.86