SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wab'

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.
1QCA_A_FUAA221_1
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
4 / 7 THR A  46
SER A  49
PHE A  67
PHE A 104
None
None
GOL  A1345 (-4.2A)
None
1.13A 1qcaA-2wabA:
undetectable
1qcaA-2wabA:
21.30
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.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.32A 1v8bD-2wabA:
4.0
1v8bD-2wabA:
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
4 / 8 SER A 227
VAL A 260
GLY A 261
MET A 263
BGC  A1337 (-4.7A)
None
None
BGC  A1337 (-4.5A)
1.08A 2qd3A-2wabA:
3.7
2qd3A-2wabA:
18.61
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.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 9 PHE A 236
ALA A 239
GLY A 222
GLY A 179
ILE A 192
None
1.25A 2v7bA-2wabA:
2.2
2v7bA-2wabA:
21.74
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.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 9 PHE A 236
ALA A 239
GLY A 222
GLY A 179
ILE A 192
None
1.26A 2v7bB-2wabA:
2.8
2v7bB-2wabA:
21.74
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.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.29A 2zj0A-2wabA:
5.5
2zj0A-2wabA:
22.50
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.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.28A 2zj0B-2wabA:
5.9
2zj0B-2wabA:
22.50
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.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.35A 2zj0C-2wabA:
4.8
2zj0C-2wabA:
22.50
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.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.31A 2zj0D-2wabA:
5.7
2zj0D-2wabA:
22.50
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.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 3ce6A-2wabA:
4.8
3ce6A-2wabA:
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.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 3ce6B-2wabA:
5.8
3ce6B-2wabA:
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.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.29A 3ce6C-2wabA:
5.8
3ce6C-2wabA:
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.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.31A 3ce6D-2wabA:
5.7
3ce6D-2wabA:
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.
3EL4_A_ROCA100_2
(PROTEASE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 9 ARG A  16
ALA A 159
ILE A 327
ILE A 219
PRO A 214
None
1.16A 3el4B-2wabA:
undetectable
3el4B-2wabA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.25A 3g1uA-2wabA:
5.5
3g1uA-2wabA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.27A 3g1uB-2wabA:
4.4
3g1uB-2wabA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.34A 3g1uB-2wabA:
4.4
3g1uB-2wabA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.25A 3g1uD-2wabA:
4.2
3g1uD-2wabA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.34A 3glqA-2wabA:
2.1
3glqA-2wabA:
20.48
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.36A 3glqB-2wabA:
6.1
3glqB-2wabA:
20.48
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.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 10 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.32A 3h9uB-2wabA:
6.1
3h9uB-2wabA:
21.67
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.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 10 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.36A 3h9uB-2wabA:
6.1
3h9uB-2wabA:
21.67
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.
3H9U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 10 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.34A 3h9uC-2wabA:
2.3
3h9uC-2wabA:
21.67
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.
3H9U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 10 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.38A 3h9uC-2wabA:
2.3
3h9uC-2wabA:
21.67
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.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 10 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.33A 3h9uD-2wabA:
5.8
3h9uD-2wabA:
21.67
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.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 10 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.37A 3h9uD-2wabA:
5.8
3h9uD-2wabA:
21.67
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.
3HCO_A_CHDA4_0
(FERROCHELATASE,
MITOCHONDRIAL)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 9 SER A 227
VAL A 260
GLY A 261
PRO A 262
MET A 263
BGC  A1337 (-4.7A)
None
None
GOL  A1341 ( 4.7A)
BGC  A1337 (-4.5A)
1.15A 3hcoA-2wabA:
4.1
3hcoA-2wabA:
18.61
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.
3HCO_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 10 SER A 227
VAL A 260
GLY A 261
PRO A 262
MET A 263
BGC  A1337 (-4.7A)
None
None
GOL  A1341 ( 4.7A)
BGC  A1337 (-4.5A)
1.10A 3hcoB-2wabA:
3.8
3hcoB-2wabA:
18.61
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.
3HCR_A_CHDA424_0
(FERROCHELATASE,
MITOCHONDRIAL)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
4 / 8 SER A 227
GLY A 261
PRO A 262
MET A 263
BGC  A1337 (-4.7A)
None
GOL  A1341 ( 4.7A)
BGC  A1337 (-4.5A)
1.04A 3hcrA-2wabA:
3.6
3hcrA-2wabA:
18.61
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 ARG A  16
ALA A 159
ILE A 327
ILE A 219
PRO A 214
None
1.02A 3k4vC-2wabA:
undetectable
3k4vC-2wabA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.32A 3n58A-2wabA:
2.1
3n58A-2wabA:
21.88
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.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 3ondA-2wabA:
4.3
3ondA-2wabA:
20.32
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.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.31A 3ondB-2wabA:
4.9
3ondB-2wabA:
20.32
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
3 / 3 HIS A 310
SER A 157
ASN A 220
BGC  A1338 (-4.0A)
None
None
0.82A 3s8pB-2wabA:
undetectable
3s8pB-2wabA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U7S_A_017A201_2
(POL POLYPROTEIN)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 9 ARG A  16
ALA A 159
ILE A 327
ILE A 219
PRO A 214
None
1.15A 3u7sB-2wabA:
undetectable
3u7sB-2wabA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
4 / 5 THR A 324
ILE A 327
LYS A 328
PHE A 127
None
1.35A 4ac9C-2wabA:
7.2
4ac9C-2wabA:
22.09
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.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
4 / 5 THR A 324
ILE A 327
LYS A 328
PHE A 127
None
1.36A 4acaC-2wabA:
6.0
4acaC-2wabA:
22.09
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.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
4 / 5 THR A 324
ILE A 327
LYS A 328
PHE A 127
None
1.45A 4acbC-2wabA:
7.1
4acbC-2wabA:
22.09
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.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.32A 4lvcA-2wabA:
5.2
4lvcA-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_B_ADNB501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.34A 4lvcB-2wabA:
5.3
4lvcB-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.33A 4lvcC-2wabA:
2.0
4lvcC-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 PHE A 236
LEU A 269
VAL A 260
GLY A 129
ASP A 130
None
1.46A 4mubA-2wabA:
2.1
4mubA-2wabA:
21.88
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.
4PFJ_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.26A 4pfjB-2wabA:
5.5
4pfjB-2wabA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
4 / 7 SER A  98
SER A 176
PHE A 147
GLU A  96
BGC  A1339 ( 4.0A)
BGC  A1339 (-4.5A)
BGC  A1339 ( 3.7A)
BGC  A1339 ( 4.0A)
1.47A 4xzkA-2wabA:
undetectable
4xzkA-2wabA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXA_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.31A 5axaA-2wabA:
2.5
5axaA-2wabA:
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.
5AXA_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.29A 5axaC-2wabA:
2.4
5axaC-2wabA:
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.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.32A 5axdA-2wabA:
4.5
5axdA-2wabA:
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.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.31A 5axdC-2wabA:
2.5
5axdC-2wabA:
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.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
3 / 3 HIS A 310
SER A 157
ASN A 220
BGC  A1338 (-4.0A)
None
None
0.81A 5cprB-2wabA:
undetectable
5cprB-2wabA:
18.95
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.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 LEU A  91
GLY A 106
SER A 111
PHE A  38
VAL A  59
None
IOD  A1347 ( 4.1A)
None
None
None
1.34A 5d0yA-2wabA:
undetectable
5d0yA-2wabA:
20.47
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.
5ICX_F_SC2F1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
3 / 3 VAL A  34
GLN A 103
CYH A  27
None
0.81A 5icxC-2wabA:
2.7
5icxF-2wabA:
undetectable
5icxC-2wabA:
20.22
5icxF-2wabA:
3.96
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.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 LEU A  78
PHE A  67
TYR A 155
MET A 156
ILE A  58
GOL  A1345 (-4.3A)
GOL  A1345 (-4.2A)
GOL  A1343 (-4.5A)
GOL  A1343 (-3.8A)
None
1.26A 5ljbA-2wabA:
undetectable
5ljbA-2wabA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.29A 5m5kA-2wabA:
2.0
5m5kA-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 5m5kB-2wabA:
4.9
5m5kB-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 5m5kC-2wabA:
2.3
5m5kC-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 5m66A-2wabA:
5.3
5m66A-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.33A 5m66B-2wabA:
5.5
5m66B-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 5m66C-2wabA:
5.3
5m66C-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.36A 5m66C-2wabA:
5.3
5m66C-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 5m66D-2wabA:
5.3
5m66D-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.35A 5m66D-2wabA:
5.3
5m66D-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 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)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 ILE A 256
PHE A 236
ILE A 178
LEU A 180
ALA A 239
None
None
GOL  A1342 (-4.4A)
None
None
1.31A 5oy02-2wabA:
undetectable
5oy02-2wabA:
13.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF0_A_SAMA505_0
(CARNOSINE
N-METHYLTRANSFERASE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 GLY A 129
PHE A 226
CYH A 259
PHE A 296
TYR A 158
None
1.29A 5yf0A-2wabA:
3.5
5yf0A-2wabA:
21.73
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.
5YF0_A_SAMA505_0
(CARNOSINE
N-METHYLTRANSFERASE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 GLY A 129
SER A 176
CYH A 259
PHE A 296
TYR A 158
None
BGC  A1339 (-4.5A)
None
None
None
1.18A 5yf0A-2wabA:
3.5
5yf0A-2wabA:
21.73
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.34A 6aphA-2wabA:
5.5
6aphA-2wabA:
19.17
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 ILE A 178
ASN A 183
GLY A 222
ILE A 128
LEU A 243
GOL  A1342 (-4.4A)
GOL  A1342 (-3.4A)
None
None
None
1.07A 6dwnC-2wabA:
undetectable
6dwnC-2wabA:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.28A 6exiA-2wabA:
5.4
6exiA-2wabA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.36A 6exiA-2wabA:
5.4
6exiA-2wabA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.23A 6exiD-2wabA:
2.2
6exiD-2wabA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.34A 6exiD-2wabA:
2.2
6exiD-2wabA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_A_ADNA505_1
(-)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.32A 6f3nA-2wabA:
6.7
6f3nA-2wabA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_B_ADNB505_1
(-)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.32A 6f3nB-2wabA:
6.7
6f3nB-2wabA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_C_ADNC505_1
(-)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.31A 6f3nC-2wabA:
2.2
6f3nC-2wabA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_D_ADND506_1
(-)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.31A 6f3nD-2wabA:
6.6
6f3nD-2wabA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_A_ADNA501_1
(-)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 6gbnA-2wabA:
6.4
6gbnA-2wabA:
20.55
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.
6GBN_B_ADNB501_1
(-)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.31A 6gbnB-2wabA:
5.6
6gbnB-2wabA:
20.55
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.
6GBN_D_ADND501_1
(-)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.29A 6gbnD-2wabA:
3.1
6gbnD-2wabA:
20.55