SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4lgn'

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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 ASP A  38
VAL A  69
GLY A  40
GLY A  41
NA  A 828 (-2.8A)
None
None
None
0.90A 1ekjE-4lgnA:
undetectable
1ekjF-4lgnA:
undetectable
1ekjE-4lgnA:
13.61
1ekjF-4lgnA:
13.61
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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 11 LEU A 304
GLY A 129
ASP A  21
GLY A 263
ILE A 242
None
0.96A 1hxwB-4lgnA:
undetectable
1hxwB-4lgnA:
7.02
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.
1N49_B_RITB301_2
(PROTEASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
6 / 11 ASN A 698
GLY A 683
ALA A 684
VAL A 721
ILE A 711
GLY A 708
None
None
None
None
GOL  A 822 (-4.5A)
None
1.27A 1n49B-4lgnA:
undetectable
1n49B-4lgnA:
9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N49_D_RITD401_1
(PROTEASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
6 / 11 ASN A 698
GLY A 683
ALA A 684
VAL A 721
ILE A 711
GLY A 708
None
None
None
None
GOL  A 822 (-4.5A)
None
1.25A 1n49C-4lgnA:
undetectable
1n49C-4lgnA:
9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT6_A_DVAA6_0
(GRAMICIDIN C)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 ALA A 554
VAL A 552
TRP A 542
None
0.80A 1nt6A-4lgnA:
undetectable
1nt6A-4lgnA:
2.38
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.
1NT6_B_DVAB6_0
(GRAMICIDIN C)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 ALA A 554
VAL A 552
TRP A 542
None
0.80A 1nt6B-4lgnA:
undetectable
1nt6B-4lgnA:
2.38
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.
1OSV_A_CHCA202_1
(BILE ACID RECEPTOR)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ALA A 554
SER A 564
PHE A 601
ILE A 573
TRP A 561
None
1.18A 1osvA-4lgnA:
undetectable
1osvA-4lgnA:
14.67
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.
1RXC_E_URFE2031_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 456
ARG A 716
ILE A 446
PRO A 439
None
ACT  A 825 (-3.4A)
None
None
0.93A 1rxcE-4lgnA:
undetectable
1rxcE-4lgnA:
15.75
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.
1RXC_E_URFE2031_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 677
GLY A 683
GLN A 703
VAL A 675
None
None
EDO  A 805 (-3.6A)
None
0.98A 1rxcE-4lgnA:
undetectable
1rxcE-4lgnA:
15.75
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.
1RXC_I_URFI2041_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 456
ARG A 716
ILE A 446
PRO A 439
None
ACT  A 825 (-3.4A)
None
None
0.97A 1rxcI-4lgnA:
undetectable
1rxcI-4lgnA:
15.75
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.
1RXC_I_URFI2041_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 677
GLY A 683
GLN A 703
VAL A 675
None
None
EDO  A 805 (-3.6A)
None
0.97A 1rxcI-4lgnA:
undetectable
1rxcI-4lgnA:
15.75
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.
1RXC_K_URFK2061_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 456
ARG A 716
ILE A 446
PRO A 439
None
ACT  A 825 (-3.4A)
None
None
0.97A 1rxcK-4lgnA:
undetectable
1rxcK-4lgnA:
15.75
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.
1ULV_A_ACRA3000_1
(GLUCODEXTRANASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ASP A  21
GLN A 189
ASN A  91
TYR A  89
TRP A  93
None
0.97A 1ulvA-4lgnA:
undetectable
1ulvA-4lgnA:
23.30
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.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 7 ALA A 402
GLY A  18
GLY A  17
PHE A 366
None
0.77A 2c49B-4lgnA:
undetectable
2c49B-4lgnA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_2_BO221405_1
(PROTEASOME COMPONENT
PRE3)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 11 THR A 262
ALA A 176
ARG A 131
GLY A 127
SER A 260
EDO  A 814 (-4.2A)
None
None
None
None
1.15A 2f162-4lgnA:
undetectable
2f162-4lgnA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 11 THR A 262
ALA A 176
ARG A 131
GLY A 127
SER A 260
EDO  A 814 (-4.2A)
None
None
None
None
1.14A 2f16N-4lgnA:
undetectable
2f16N-4lgnA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 ARG A 686
THR A   3
VAL A 695
EDO  A 813 (-4.4A)
None
EDO  A 813 ( 4.4A)
0.84A 2q64A-4lgnA:
undetectable
2q64A-4lgnA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q6O_B_SAMB500_0
(HYPOTHETICAL PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 ASP A 546
VAL A 525
THR A 477
TRP A 542
None
1.47A 2q6oB-4lgnA:
undetectable
2q6oB-4lgnA:
18.50
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.
2QD3_B_CHDB504_0
(FERROCHELATASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 MET A 315
ILE A 419
ARG A 353
PRO A 288
None
1.27A 2qd3B-4lgnA:
undetectable
2qd3B-4lgnA:
18.17
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 ILE A 141
PHE A 196
GLY A 228
GLY A 227
None
None
FMT  A 834 (-3.9A)
None
0.80A 2qx6A-4lgnA:
undetectable
2qx6B-4lgnA:
undetectable
2qx6A-4lgnA:
15.11
2qx6B-4lgnA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7P_A_SALA1001_1
(LYSR-TYPE REGULATORY
PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 MET A  42
ARG A  44
PRO A  54
TRP A  52
None
None
EDO  A 812 ( 4.6A)
None
1.46A 2y7pA-4lgnA:
undetectable
2y7pA-4lgnA:
13.89
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.
3BJW_C_SVRC505_2
(PHOSPHOLIPASE A2)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 5 VAL A 214
VAL A 191
PHE A 211
ARG A  36
None
1.36A 3bjwH-4lgnA:
undetectable
3bjwH-4lgnA:
9.24
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.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 GLY A 453
GLY A 493
GLY A 476
None
0.41A 3bogC-4lgnA:
undetectable
3bogC-4lgnA:
7.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_D_DVAD10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 GLY A 453
GLY A 493
GLY A 476
None
0.35A 3bogD-4lgnA:
undetectable
3bogD-4lgnA:
7.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CKZ_A_ZMRA469_2
(NEURAMINIDASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 ASP A 226
TRP A 231
ILE A 210
SER A 200
None
1.49A 3ckzA-4lgnA:
6.2
3ckzA-4lgnA:
19.89
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.
3EKT_B_017B200_1
(PROTEASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 9 LEU A 304
GLY A 129
ASP A  21
GLY A 263
ILE A 242
None
1.03A 3ektA-4lgnA:
undetectable
3ektA-4lgnA:
9.31
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.
3GGU_B_017B201_2
(PROTEASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 9 LEU A 304
GLY A 129
ASP A  21
GLY A 263
ILE A 242
None
1.04A 3gguB-4lgnA:
undetectable
3gguB-4lgnA:
7.96
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.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 10 PRO A 288
THR A 337
VAL A 316
SER A 331
GLY A 335
None
None
None
None
EDO  A 818 ( 4.8A)
1.47A 3ixlA-4lgnA:
undetectable
3ixlA-4lgnA:
16.22
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.
3JZJ_A_ACRA405_2
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 TRP A   9
TYR A 685
TRP A 694
TRP A 707
EDO  A 816 (-4.9A)
None
None
None
1.40A 3jzjA-4lgnA:
0.0
3jzjA-4lgnA:
20.05
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.
3KPB_D_SAMD1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 10 ILE A 421
ASP A 409
THR A 407
ILE A 328
ILE A 341
None
1.34A 3kpbD-4lgnA:
undetectable
3kpbD-4lgnA:
9.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU1_A_SAMA226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
6 / 12 ARG A  44
VAL A  59
ASN A  63
ALA A 108
GLY A 107
LEU A 101
None
None
EDO  A 805 ( 4.6A)
None
None
None
1.50A 3ku1A-4lgnA:
undetectable
3ku1A-4lgnA:
14.15
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.
3MG0_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 11 THR A  79
ALA A  74
ALA A  73
ALA A  29
GLY A  28
None
0.95A 3mg0K-4lgnA:
undetectable
3mg0L-4lgnA:
undetectable
3mg0K-4lgnA:
14.77
3mg0L-4lgnA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 11 THR A 262
ALA A 176
ARG A 131
GLY A 127
SER A 260
EDO  A 814 (-4.2A)
None
None
None
None
1.08A 3mg0N-4lgnA:
undetectable
3mg0N-4lgnA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N62_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 GLY A 493
TRP A 542
VAL A 531
None
0.74A 3n62B-4lgnA:
undetectable
3n62B-4lgnA:
19.18
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.
3N65_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 GLY A 493
TRP A 542
VAL A 531
None
0.76A 3n65B-4lgnA:
undetectable
3n65B-4lgnA:
19.05
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.
3N66_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 GLY A 493
TRP A 542
VAL A 531
None
0.74A 3n66B-4lgnA:
undetectable
3n66B-4lgnA:
19.05
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.
3NU5_B_478B401_2
(PROTEASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A 683
ALA A 684
VAL A 721
ILE A 711
GLY A 708
None
None
None
GOL  A 822 (-4.5A)
None
1.01A 3nu5B-4lgnA:
undetectable
3nu5B-4lgnA:
7.25
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.
3OEZ_A_STIA601_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 5 VAL A 490
ILE A 437
MET A 617
ARG A 539
None
GOL  A 820 ( 4.9A)
GOL  A 822 (-4.0A)
None
1.44A 3oezA-4lgnA:
undetectable
3oezA-4lgnA:
16.07
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.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ASN A 698
ALA A 684
VAL A 721
ILE A 711
GLY A 708
None
None
None
GOL  A 822 (-4.5A)
None
1.03A 3spkB-4lgnA:
undetectable
3spkB-4lgnA:
7.12
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.
3V4T_H_ACTH503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 7 ALA A 215
ARG A 131
HIS A 244
GLY A 263
None
0.91A 3v4tH-4lgnA:
undetectable
3v4tH-4lgnA:
21.09
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.
3W9T_A_W9TA1004_1
(HEMOLYTIC LECTIN
CEL-III)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 5 ASP A 576
GLU A 483
GLY A 623
GLU A 625
None
GOL  A 820 ( 4.5A)
None
None
1.42A 3w9tA-4lgnA:
undetectable
3w9tA-4lgnA:
20.39
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.
3W9T_D_W9TD512_1
(HEMOLYTIC LECTIN
CEL-III)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 5 ASP A 576
GLU A 483
GLY A 623
GLU A 625
None
GOL  A 820 ( 4.5A)
None
None
1.40A 3w9tD-4lgnA:
undetectable
3w9tD-4lgnA:
20.39
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.
3ZQ8_D_DVAD8_0
(VAL-GRAMICIDIN A)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 TRP A  61
VAL A 674
TRP A 707
None
1.24A 3zq8C-4lgnA:
undetectable
3zq8D-4lgnA:
undetectable
3zq8C-4lgnA:
2.36
3zq8D-4lgnA:
2.36
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.
4ACA_C_DXCC1477_0
(TRANSLATION
ELONGATION FACTOR
SELB)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 THR A 403
GLY A  17
ILE A  14
LEU A 428
None
1.21A 4acaC-4lgnA:
undetectable
4acaC-4lgnA:
18.83
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.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 GLY A 190
VAL A 192
PRO A 147
GLY A 120
None
0.89A 4dxuA-4lgnA:
undetectable
4dxuA-4lgnA:
17.74
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.
4E1V_A_URFA1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 456
ARG A 716
ILE A 446
PRO A 439
None
ACT  A 825 (-3.4A)
None
None
0.99A 4e1vA-4lgnA:
undetectable
4e1vA-4lgnA:
16.15
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.
4E1V_A_URFA1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 677
GLY A 683
GLN A 703
VAL A 675
None
None
EDO  A 805 (-3.6A)
None
0.97A 4e1vA-4lgnA:
undetectable
4e1vA-4lgnA:
16.15
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.
4E1V_C_URFC1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 456
ARG A 716
ILE A 446
PRO A 439
None
ACT  A 825 (-3.4A)
None
None
0.89A 4e1vC-4lgnA:
undetectable
4e1vC-4lgnA:
16.15
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.
4E1V_C_URFC1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 677
GLY A 683
GLN A 703
VAL A 675
None
None
EDO  A 805 (-3.6A)
None
0.96A 4e1vC-4lgnA:
undetectable
4e1vC-4lgnA:
16.15
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.
4E1V_D_URFD1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 456
ARG A 716
ILE A 446
PRO A 439
None
ACT  A 825 (-3.4A)
None
None
0.87A 4e1vD-4lgnA:
undetectable
4e1vD-4lgnA:
16.15
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.
4E1V_D_URFD1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 677
GLY A 683
GLN A 703
VAL A 675
None
None
EDO  A 805 (-3.6A)
None
0.95A 4e1vD-4lgnA:
undetectable
4e1vD-4lgnA:
16.15
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.
4E1V_E_URFE1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 456
ARG A 716
ILE A 446
PRO A 439
None
ACT  A 825 (-3.4A)
None
None
0.96A 4e1vE-4lgnA:
undetectable
4e1vE-4lgnA:
16.15
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.
4E1V_E_URFE1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 677
GLY A 683
GLN A 703
VAL A 675
None
None
EDO  A 805 (-3.6A)
None
0.94A 4e1vE-4lgnA:
undetectable
4e1vE-4lgnA:
16.15
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.
4E1V_G_URFG1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 456
ARG A 716
ILE A 446
PRO A 439
None
ACT  A 825 (-3.4A)
None
None
0.99A 4e1vG-4lgnA:
undetectable
4e1vG-4lgnA:
16.15
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.
4E1V_G_URFG1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 677
GLY A 683
GLN A 703
VAL A 675
None
None
EDO  A 805 (-3.6A)
None
0.99A 4e1vG-4lgnA:
undetectable
4e1vG-4lgnA:
16.15
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.
4E1V_H_URFH1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 456
ARG A 716
ILE A 446
PRO A 439
None
ACT  A 825 (-3.4A)
None
None
0.88A 4e1vH-4lgnA:
undetectable
4e1vH-4lgnA:
16.15
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.
4E1V_H_URFH1301_1
(URIDINE
PHOSPHORYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 8 THR A 677
GLY A 683
GLN A 703
VAL A 675
None
None
EDO  A 805 (-3.6A)
None
0.96A 4e1vH-4lgnA:
undetectable
4e1vH-4lgnA:
16.15
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.
4H2G_A_ADNA603_1
(5'-NUCLEOTIDASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 9 GLY A 125
GLY A 127
ARG A 126
PHE A  19
GLY A 263
None
None
NA  A 828 ( 4.9A)
None
None
1.36A 4h2gA-4lgnA:
undetectable
4h2gA-4lgnA:
20.61
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.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.94A 4jksA-4lgnA:
undetectable
4jksA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.93A 4jksB-4lgnA:
undetectable
4jksB-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.93A 4jkuA-4lgnA:
undetectable
4jkuA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_A_ADNA401_1
(SUGAR KINASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.94A 4k8cA-4lgnA:
undetectable
4k8cA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_B_ADNB401_1
(SUGAR KINASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.94A 4k8cB-4lgnA:
undetectable
4k8cB-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_A_ADNA401_1
(SUGAR KINASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.93A 4k8kA-4lgnA:
undetectable
4k8kA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_B_ADNB403_1
(SUGAR KINASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.93A 4k8kB-4lgnA:
undetectable
4k8kB-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.93A 4kahA-4lgnA:
undetectable
4kahA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.93A 4kahB-4lgnA:
undetectable
4kahB-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.91A 4kalA-4lgnA:
undetectable
4kalA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.93A 4kalB-4lgnA:
undetectable
4kalB-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.94A 4kanA-4lgnA:
undetectable
4kanA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.94A 4kanB-4lgnA:
undetectable
4kanB-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.95A 4kbeA-4lgnA:
undetectable
4kbeA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.92A 4kbeB-4lgnA:
undetectable
4kbeB-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.93A 4lbgA-4lgnA:
undetectable
4lbgA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.93A 4lbgB-4lgnA:
undetectable
4lbgB-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.92A 4lcaA-4lgnA:
undetectable
4lcaA-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
None
0.91A 4lcaB-4lgnA:
undetectable
4lcaB-4lgnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A 190
GLY A 213
ILE A 210
SER A 224
ASP A 170
None
None
None
None
EDO  A 817 (-4.1A)
1.09A 4rtsA-4lgnA:
undetectable
4rtsA-4lgnA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 5 ILE A 320
SER A 302
HIS A 244
ASP A 297
None
1.28A 4rzvB-4lgnA:
undetectable
4rzvB-4lgnA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X61_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 LEU A 449
GLY A 724
GLY A 708
ASN A 726
LEU A 436
None
None
None
None
GOL  A 822 (-4.4A)
1.12A 4x61A-4lgnA:
undetectable
4x61A-4lgnA:
22.19
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 11 VAL A  69
TRP A  83
GLY A 107
ASN A  80
ILE A  53
None
1.46A 4zvmA-4lgnA:
undetectable
4zvmB-4lgnA:
undetectable
4zvmA-4lgnA:
15.11
4zvmB-4lgnA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A1R_A_STRA600_1
(CYTOCHROME P450 3A4)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 5 PHE A 276
PHE A 248
PHE A 211
VAL A 278
None
1.18A 5a1rA-4lgnA:
undetectable
5a1rA-4lgnA:
20.58
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.
5C6P_A_4YHA601_1
(PROTEIN C)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 ALA A 195
SER A 200
ASP A 135
PRO A 136
None
0.92A 5c6pA-4lgnA:
undetectable
5c6pA-4lgnA:
20.96
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A 727
LEU A 449
THR A 725
GLY A 724
GLY A  60
None
None
None
None
EDO  A 805 (-3.7A)
0.96A 5d4uA-4lgnA:
undetectable
5d4uA-4lgnA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A 727
LEU A 449
THR A 725
GLY A 724
GLY A  60
None
None
None
None
EDO  A 805 (-3.7A)
0.97A 5d4uB-4lgnA:
undetectable
5d4uB-4lgnA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A 676
TRP A 707
GLY A 680
ILE A 678
GLY A  60
None
None
None
None
EDO  A 805 (-3.7A)
1.04A 5d4uC-4lgnA:
undetectable
5d4uC-4lgnA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A 727
LEU A 449
GLY A 724
ILE A 730
GLY A  60
None
None
None
None
EDO  A 805 (-3.7A)
0.95A 5d4uC-4lgnA:
undetectable
5d4uC-4lgnA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A 727
LEU A 449
THR A 725
GLY A 724
GLY A  60
None
None
None
None
EDO  A 805 (-3.7A)
0.94A 5d4uC-4lgnA:
undetectable
5d4uC-4lgnA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A 727
LEU A 449
GLY A 724
ILE A 730
GLY A  60
None
None
None
None
EDO  A 805 (-3.7A)
0.95A 5d4uD-4lgnA:
undetectable
5d4uD-4lgnA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A 727
LEU A 449
THR A 725
GLY A 724
GLY A  60
None
None
None
None
EDO  A 805 (-3.7A)
0.93A 5d4uD-4lgnA:
undetectable
5d4uD-4lgnA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_A_X2NA590_2
(CYP51 VARIANT1)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 PRO A 423
ILE A 327
SER A 359
None
0.70A 5fsaA-4lgnA:
undetectable
5fsaA-4lgnA:
20.39
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.
5KR0_A_478A101_2
(PROTEASE E35D-APV)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 9 ASN A 698
GLY A 683
ALA A 684
VAL A 721
GLY A 708
None
1.04A 5kr0B-4lgnA:
undetectable
5kr0B-4lgnA:
8.12
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.
5ODQ_A_ACTA703_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 ARG A 504
ALA A 507
PRO A 471
PHE A 495
None
1.34A 5odqA-4lgnA:
undetectable
5odqA-4lgnA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SYJ_A_NIZA810_1
(CATALASE-PEROXIDASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 6 ARG A 574
HIS A 619
LEU A 436
SER A 478
GOL  A 822 ( 4.5A)
GOL  A 822 (-3.8A)
GOL  A 822 (-4.4A)
None
1.32A 5syjA-4lgnA:
undetectable
5syjA-4lgnA:
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.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 ILE A 341
ILE A 421
ALA A 406
ILE A  23
ALA A 385
None
None
ACT  A 826 (-4.3A)
None
None
1.06A 5vceA-4lgnA:
undetectable
5vceA-4lgnA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 GLY A 493
TRP A 542
VAL A 531
None
0.75A 5vuoB-4lgnA:
undetectable
5vuoB-4lgnA:
19.18
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.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 PHE A 144
VAL A 194
ARG A 131
PHE A 117
THR A  90
None
1.33A 5xioA-4lgnA:
undetectable
5xioA-4lgnA:
20.43
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.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 PHE A 144
VAL A 194
ARG A 131
PHE A 117
THR A  90
None
1.36A 5xioB-4lgnA:
undetectable
5xioB-4lgnA:
20.43
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.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 LEU A 428
THR A 431
PHE A 455
SER A 447
GLY A 476
None
1.18A 5xipA-4lgnA:
undetectable
5xipA-4lgnA:
20.05
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.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 LEU A 428
VAL A  20
THR A 431
PHE A 455
SER A 447
None
1.13A 5xipA-4lgnA:
undetectable
5xipA-4lgnA:
20.05
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.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 PHE A 144
VAL A 194
ARG A 131
PHE A 117
THR A  90
None
1.29A 5xiqB-4lgnA:
undetectable
5xiqB-4lgnA:
19.60
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.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 PHE A 144
VAL A 194
ARG A 131
PHE A 117
THR A  90
None
1.38A 5xiqC-4lgnA:
undetectable
5xiqC-4lgnA:
19.60
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.
5XOO_B_ADNB503_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
4 / 5 TRP A  45
LEU A  33
VAL A  35
LEU A 397
None
1.06A 5xooB-4lgnA:
undetectable
5xooB-4lgnA:
6.94
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.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 9 ILE A 446
ALA A 458
ILE A 467
PRO A 471
ARG A 491
None
1.47A 5z6lA-4lgnA:
undetectable
5z6lA-4lgnA:
12.60
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.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 12 GLY A  87
GLY A  98
SER A  71
GLY A 120
GLY A 121
None
0.75A 5zhmB-4lgnA:
undetectable
5zhmB-4lgnA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWO_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 9 ASP A 734
ALA A 684
ILE A 697
GLY A 713
PHE A 673
None
1.28A 6awoA-4lgnA:
undetectable
6awoA-4lgnA:
22.05
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.
6AWQ_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
5 / 9 ASP A 734
ALA A 684
ILE A 697
GLY A 713
PHE A 673
None
1.28A 6awqA-4lgnA:
undetectable
6awqA-4lgnA:
22.05
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.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
6 / 12 HIS A 619
GLY A 724
GLY A 708
ASN A 726
ILE A 730
LEU A 436
GOL  A 822 (-3.8A)
None
None
None
None
GOL  A 822 (-4.4A)
1.27A 6b3aA-4lgnA:
undetectable
6b3aA-4lgnA:
20.10
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.
6GBF_A_ACTA507_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus)
3 / 3 LYS A 581
SER A 534
SER A 538
None
1.06A 6gbfA-4lgnA:
undetectable
6gbfA-4lgnA:
21.49