SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2cn3'

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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 LEU A 474
LEU A 463
GLY A 506
VAL A 462
ALA A 747
 None
 1.14A 1axwA-2cn3A:
undetectable		 1axwA-2cn3A:
15.97
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.
1GTI_E_CCSE47_0
(GLUTATHIONE
S-TRANSFERASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 TRP A 392
THR A 429
GLY A  48
LEU A 481
 None
 1.00A 1gtiE-2cn3A:
undetectable		 1gtiE-2cn3A:
15.96
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.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 9 GLY A 153
GLY A 161
GLU A 102
ARG A 158
GLY A  54
 None
None
None
XYS  A1773 ( 3.3A)
CA  A1778 ( 4.8A)
 1.30A 1jhyA-2cn3A:
undetectable		 1jhyA-2cn3A:
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.
1KIJ_B_NOVB444_2
(DNA GYRASE SUBUNIT B)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 676
PHE A 708
VAL A 704
 None
 0.74A 1kijB-2cn3A:
undetectable		 1kijB-2cn3A:
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.
1L4N_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 9 GLY A 153
GLY A 161
GLU A 102
ARG A 158
GLY A  54
 None
None
None
XYS  A1773 ( 3.3A)
CA  A1778 ( 4.8A)
 1.34A 1l4nA-2cn3A:
undetectable		 1l4nA-2cn3A:
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 152
GLY A 119
GLY A 100
ASP A 217
GLY A 157
 None
 0.96A 1n2xB-2cn3A:
undetectable		 1n2xB-2cn3A:
17.50
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.
1N4F_A_ASRA141_0
(LYSOZYME C)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 GLY A 257
THR A 237
PRO A 236
SER A 231
 None
 0.95A 1n4fA-2cn3A:
undetectable		 1n4fA-2cn3A:
11.58
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.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE A 640
GLY A 594
ALA A 573
SER A 574
SER A 556
 None
 1.41A 1nbhA-2cn3A:
undetectable		 1nbhA-2cn3A:
17.55
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.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE A 640
GLY A 594
ALA A 573
SER A 574
SER A 556
 None
 1.39A 1nbhD-2cn3A:
undetectable		 1nbhD-2cn3A:
17.55
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.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 119
GLY A 152
ALA A  70
SER A  97
TYR A  96
 None
None
GLC  A1769 (-3.5A)
None
XYS  A1774 ( 4.7A)
 1.21A 1ri4A-2cn3A:
undetectable		 1ri4A-2cn3A:
17.41
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.
1RX3_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 LYS A 228
ILE A 240
THR A 308
 None
 0.77A 1rx3A-2cn3A:
undetectable		 1rx3A-2cn3A:
12.70
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.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 LEU A 474
LEU A 463
GLY A 506
VAL A 462
ALA A 747
 None
 1.11A 1tlsB-2cn3A:
undetectable		 1tlsB-2cn3A:
15.97
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 LEU A 474
LEU A 463
GLY A 506
VAL A 462
ALA A 747
 None
 1.13A 1tsnA-2cn3A:
undetectable		 1tsnA-2cn3A:
15.97
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.
1YAJ_J_BEZJ5041_0
(CES1 PROTEIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 4 GLY A 483
SER A 476
ILE A  45
HIS A 486
 None
 1.14A 1yajJ-2cn3A:
undetectable		 1yajJ-2cn3A:
20.70
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.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 TYR A 608
ASP A 600
TYR A 692
HIS A 649
 None
 1.22A 2bteA-2cn3A:
undetectable		 2bteA-2cn3A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BTE_D_LEUD1893_0
(AMINOACYL-TRNA
SYNTHETASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 TYR A 608
ASP A 600
TYR A 692
HIS A 649
 None
 1.28A 2bteD-2cn3A:
undetectable		 2bteD-2cn3A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BYT_A_LEUA1301_0
(LEUCYL-TRNA
SYNTHETASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 TYR A 608
ASP A 600
TYR A 692
HIS A 649
 None
 1.29A 2bytA-2cn3A:
undetectable		 2bytA-2cn3A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BYT_D_LEUD1601_0
(LEUCYL-TRNA
SYNTHETASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 TYR A 608
ASP A 600
TYR A 692
HIS A 649
 None
 1.30A 2bytD-2cn3A:
undetectable		 2bytD-2cn3A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TYR A 288
ALA A 331
GLY A 289
GLY A 299
SER A 159
 None
 1.13A 2okcA-2cn3A:
undetectable		 2okcA-2cn3A:
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.
2OKC_B_SAMB500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TYR A 288
ALA A 331
GLY A 289
GLY A 299
SER A 159
 None
 1.13A 2okcB-2cn3A:
undetectable		 2okcB-2cn3A:
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.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ALA A 331
GLY A 332
ARG A 163
VAL A 277
GLY A 276
 None
 1.02A 2qe6B-2cn3A:
undetectable		 2qe6B-2cn3A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMM_B_SAMB301_0
(UPF0217 PROTEIN
AF_1056)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 LEU A 659
ILE A 697
GLY A 699
LEU A 672
SER A 673
 None
 1.00A 2qmmA-2cn3A:
undetectable
2qmmB-2cn3A:
undetectable		 2qmmA-2cn3A:
16.28
2qmmB-2cn3A:
16.28
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ILE A 173
PHE A 226
GLY A 258
GLY A 257
 None
 0.81A 2qx6A-2cn3A:
undetectable
2qx6B-2cn3A:
undetectable		 2qx6A-2cn3A:
15.10
2qx6B-2cn3A:
15.10
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.
2UXP_A_CLMA1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 8 ALA A 733
LEU A 465
LEU A 474
VAL A  43
ILE A  45
 None
 1.31A 2uxpA-2cn3A:
undetectable		 2uxpA-2cn3A:
13.03
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.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 TYR A 608
ASP A 600
TYR A 692
HIS A 649
 None
 1.26A 2v0gA-2cn3A:
undetectable		 2v0gA-2cn3A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 275
THR A 287
ASP A 414
GLU A 416
GLY A 276
 None
None
CA  A1778 (-2.2A)
CA  A1778 (-3.2A)
None
 1.28A 2zj0A-2cn3A:
undetectable		 2zj0A-2cn3A:
20.63
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.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 275
THR A 287
ASP A 414
GLU A 416
GLY A 276
 None
None
CA  A1778 (-2.2A)
CA  A1778 (-3.2A)
None
 1.37A 2zj0C-2cn3A:
undetectable		 2zj0C-2cn3A:
20.63
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.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 275
THR A 287
ASP A 414
GLU A 416
GLY A 276
 None
None
CA  A1778 (-2.2A)
CA  A1778 (-3.2A)
None
 1.31A 2zj0D-2cn3A:
undetectable		 2zj0D-2cn3A:
20.63
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 MET A 411
GLU A 459
ASN A 749
 BGC  A1764 (-3.6A)
GLC  A1769 ( 4.6A)
BGC  A1770 ( 3.0A)
 0.95A 3a27A-2cn3A:
undetectable		 3a27A-2cn3A:
15.58
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.
3ADS_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ALA A 334
ILE A 417
LEU A 439
VAL A 448
ILE A 370
 None
 1.29A 3adsB-2cn3A:
undetectable		 3adsB-2cn3A:
17.12
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.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 9 LEU A 659
ILE A 697
GLY A 699
LEU A 672
SER A 673
 None
 0.97A 3ai9X-2cn3A:
undetectable		 3ai9X-2cn3A:
15.28
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.
3AXT_A_SAMA397_0
(PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ALA A 118
ILE A 132
GLU A 459
ALA A  69
PHE A  91
 None
None
GLC  A1769 ( 4.6A)
None
None
 1.26A 3axtA-2cn3A:
undetectable		 3axtA-2cn3A:
19.44
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.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 275
THR A 287
ASP A 414
GLU A 416
GLY A 276
 None
None
CA  A1778 (-2.2A)
CA  A1778 (-3.2A)
None
 1.29A 3ce6A-2cn3A:
undetectable		 3ce6A-2cn3A:
20.63
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.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 275
THR A 287
ASP A 414
GLU A 416
GLY A 276
 None
None
CA  A1778 (-2.2A)
CA  A1778 (-3.2A)
None
 1.30A 3ce6B-2cn3A:
undetectable		 3ce6B-2cn3A:
20.63
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.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 275
THR A 287
ASP A 414
GLU A 416
GLY A 276
 None
None
CA  A1778 (-2.2A)
CA  A1778 (-3.2A)
None
 1.30A 3ce6C-2cn3A:
undetectable		 3ce6C-2cn3A:
20.63
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.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 275
THR A 287
ASP A 414
GLU A 416
GLY A 276
 None
None
CA  A1778 (-2.2A)
CA  A1778 (-3.2A)
None
 1.30A 3ce6D-2cn3A:
undetectable		 3ce6D-2cn3A:
20.63
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.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 PRO A 318
THR A 366
VAL A 345
SER A 360
GLY A 364
 None
 1.50A 3ixlA-2cn3A:
undetectable		 3ixlA-2cn3A:
16.17
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 5 THR A 232
GLY A 234
PRO A 236
ASN A 235
 None
 1.26A 3u8qA-2cn3A:
undetectable		 3u8qA-2cn3A:
19.00
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.
3W9T_A_W9TA1004_1
(HEMOLYTIC LECTIN
CEL-III)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 5 ASP A 600
GLU A 511
GLY A 645
GLU A 647
 None
 1.37A 3w9tA-2cn3A:
undetectable		 3w9tA-2cn3A:
20.52
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.
3W9T_D_W9TD512_1
(HEMOLYTIC LECTIN
CEL-III)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 5 ASP A 600
GLU A 511
GLY A 645
GLU A 647
 None
 1.36A 3w9tD-2cn3A:
undetectable		 3w9tD-2cn3A:
20.52
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.
3WIP_B_ACHB301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 THR A 178
TYR A 175
TRP A 194
ARG A 163
 None
 1.30A 3wipB-2cn3A:
undetectable
3wipC-2cn3A:
undetectable		 3wipB-2cn3A:
15.92
3wipC-2cn3A:
15.92
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.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 TYR A 608
ASP A 600
TYR A 692
HIS A 649
 None
 1.34A 4arcA-2cn3A:
undetectable		 4arcA-2cn3A:
21.87
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.
4E47_D_SAMD800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.40A 4e47D-2cn3A:
0.0		 4e47D-2cn3A:
16.76
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.
4FP9_C_SAMC401_1
(METHYLTRANSFERASE
NSUN4)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 437
ARG A 424
ASP A 386
 None
 0.86A 4fp9C-2cn3A:
undetectable		 4fp9C-2cn3A:
17.86
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.
4GH8_A_MTXA201_2
(DIHYDROFOLATE
REDUCTASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 LYS A 228
ILE A 240
THR A 308
 None
 0.74A 4gh8A-2cn3A:
undetectable		 4gh8A-2cn3A:
13.32
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.
4J83_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.38A 4j83A-2cn3A:
undetectable		 4j83A-2cn3A:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.37A 4jdsD-2cn3A:
0.0		 4jdsD-2cn3A:
16.76
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.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.30A 4jlgB-2cn3A:
0.0		 4jlgB-2cn3A:
16.76
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.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 ALA A 390
GLY A  50
ALA A 431
THR A 429
 None
GLC  A1769 (-3.6A)
None
None
 0.81A 4r1zB-2cn3A:
undetectable		 4r1zB-2cn3A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 SER A 159
ARG A  68
GLY A  54
GLY A 100
TYR A 121
 None
None
CA  A1778 ( 4.8A)
None
None
 1.22A 4r29A-2cn3A:
undetectable		 4r29A-2cn3A:
16.47
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.
4R29_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 SER A 159
ARG A  68
GLY A  54
GLY A 100
TYR A 121
 None
None
CA  A1778 ( 4.8A)
None
None
 1.19A 4r29C-2cn3A:
undetectable		 4r29C-2cn3A:
16.47
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.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 5 SER A 159
GLY A 157
ARG A 158
PHE A  51
 None
None
XYS  A1773 ( 3.3A)
None
 1.11A 4r82A-2cn3A:
undetectable
4r82B-2cn3A:
undetectable		 4r82A-2cn3A:
15.18
4r82B-2cn3A:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A  50
THR A 432
GLU A 459
ILE A 457
ILE A  45
 GLC  A1769 (-3.6A)
None
GLC  A1769 ( 4.6A)
None
None
 1.15A 4zvmA-2cn3A:
undetectable
4zvmB-2cn3A:
undetectable		 4zvmA-2cn3A:
15.10
4zvmB-2cn3A:
15.10
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 SER A 135
ASP A  89
ARG A 751
GLY A  73
 None
 1.14A 5btfA-2cn3A:
undetectable
5btfC-2cn3A:
undetectable
5btfD-2cn3A:
undetectable		 5btfA-2cn3A:
20.54
5btfC-2cn3A:
20.54
5btfD-2cn3A:
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.
5EAJ_B_FOLB201_1
(DIHYDROFOLATE
REDUCTASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 213
ARG A 158
ARG A 179
 None
XYS  A1773 ( 3.3A)
None
 0.97A 5eajB-2cn3A:
undetectable		 5eajB-2cn3A:
12.70
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.
5FHQ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 VAL A 244
TYR A 252
ALA A 334
HIS A 275
ASP A 414
 None
None
None
None
CA  A1778 (-2.2A)
 1.25A 5fhqA-2cn3A:
undetectable		 5fhqA-2cn3A:
14.50
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.
5Z84_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 TYR A 115
ARG A 134
THR A 136
 None
 0.81A 5z84J-2cn3A:
undetectable		 5z84J-2cn3A:
7.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BPY_A_ACTA408_0
(THIOREDOXIN
REDUCTASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 PRO A 320
SER A 322
SER A 323
 None
 0.69A 6bpyA-2cn3A:
undetectable		 6bpyA-2cn3A:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 483
GLY A 504
PHE A 484
VAL A 498
TRP A 392
 None
 1.23A 6clxA-2cn3A:
undetectable		 6clxA-2cn3A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TRP A 541
ALA A 733
GLY A 504
GLY A 506
VAL A 462
 None
 1.29A 6clxA-2cn3A:
undetectable		 6clxA-2cn3A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GIQ_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 SER A 760
GLY A 736
SER A 467
VAL A 740
 None
 1.11A 6giqL-2cn3A:
undetectable
6giqP-2cn3A:
undetectable
6giqT-2cn3A:
undetectable		 6giqL-2cn3A:
19.38
6giqP-2cn3A:
14.38
6giqT-2cn3A:
7.17
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.
6J20_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 VAL A 462
ILE A 753
PHE A 484
HIS A 486
MET A 496
 None
 1.27A 6j20A-2cn3A:
undetectable		 6j20A-2cn3A:
21.04