SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qjy'

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.
1AV2_C_DVAC6_0
(GRAMICIDIN A)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 ALA A 144
VAL A  80
TRP A  76
None
0.68A 1av2C-4qjyA:
undetectable
1av2D-4qjyA:
undetectable
1av2C-4qjyA:
3.34
1av2D-4qjyA:
3.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_A_HLTA4002_1
(SERUM ALBUMIN)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 4 ARG A 413
ALA A  79
ALA A 147
GLU A 143
None
1.18A 1e7bA-4qjyA:
undetectable
1e7bA-4qjyA:
21.54
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.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 5 HIS A 259
GLU A 311
ALA A 326
SER A 331
None
1.34A 1errA-4qjyA:
undetectable
1errB-4qjyA:
undetectable
1errA-4qjyA:
18.36
1errB-4qjyA:
18.36
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.
1HRK_A_CHDA1502_0
(FERROCHELATASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 PRO A 458
VAL A 587
GLY A 586
TRP A 459
None
0.79A 1hrkA-4qjyA:
undetectable
1hrkA-4qjyA:
19.20
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.
1HRK_B_CHDB2502_0
(FERROCHELATASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 PRO A 458
VAL A 587
GLY A 586
TRP A 459
None
0.79A 1hrkB-4qjyA:
undetectable
1hrkB-4qjyA:
19.20
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.
1JB0_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 11 TRP A  76
ILE A  40
ALA A  35
LEU A  36
ALA A  48
None
None
ACT  A 704 ( 3.7A)
None
None
1.46A 1jb0B-4qjyA:
undetectable
1jb0B-4qjyA:
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.
1KIA_B_SAMB1293_1
(GLYCINE
N-METHYLTRANSFERASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 5 ASP A  72
SER A  71
ASN A  51
SER A 403
None
1.47A 1kiaB-4qjyA:
undetectable
1kiaB-4qjyA:
19.38
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.
1KIA_C_SAMC2293_1
(GLYCINE
N-METHYLTRANSFERASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 6 ASP A  72
SER A  71
ASN A  51
SER A 403
None
1.46A 1kiaC-4qjyA:
undetectable
1kiaC-4qjyA:
19.38
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 TYR A 136
GLU A  78
SER A 417
TYR A 421
ACT  A 701 (-4.4A)
None
ACT  A 703 ( 4.0A)
None
1.06A 1nx9A-4qjyA:
undetectable
1nx9A-4qjyA:
22.83
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 TYR A 136
GLU A  78
SER A 417
TYR A 421
ACT  A 701 (-4.4A)
None
ACT  A 703 ( 4.0A)
None
1.05A 1nx9B-4qjyA:
undetectable
1nx9B-4qjyA:
22.83
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 TYR A 136
GLU A  78
SER A 417
TYR A 421
ACT  A 701 (-4.4A)
None
ACT  A 703 ( 4.0A)
None
1.08A 1nx9C-4qjyA:
undetectable
1nx9C-4qjyA:
22.83
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 TYR A 136
GLU A  78
SER A 417
TYR A 421
ACT  A 701 (-4.4A)
None
ACT  A 703 ( 4.0A)
None
1.08A 1nx9D-4qjyA:
undetectable
1nx9D-4qjyA:
22.83
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.
1S9Q_A_CHDA459_0
(ESTROGEN-RELATED
RECEPTOR GAMMA)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 6 ASP A 183
LEU A 129
TRP A 126
TYR A 164
None
0.90A 1s9qA-4qjyA:
undetectable
1s9qA-4qjyA:
16.97
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.
1W5U_C_DVAC6_0
(GRAMICIDIN D)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 ALA A 144
VAL A  80
TRP A  76
None
0.63A 1w5uC-4qjyA:
undetectable
1w5uD-4qjyA:
undetectable
1w5uC-4qjyA:
3.34
1w5uD-4qjyA:
3.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 LEU A 205
GLY A 278
ASP A 279
ALA A 274
ALA A 271
None
1.15A 2br4F-4qjyA:
undetectable
2br4F-4qjyA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 7 GLU A 595
LYS A 574
PRO A 570
ALA A 573
None
1.27A 2ejgA-4qjyA:
undetectable
2ejgA-4qjyA:
17.09
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.
2EJG_B_ADNB1502_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 7 GLU A 595
LYS A 574
PRO A 570
ALA A 573
None
1.35A 2ejgB-4qjyA:
undetectable
2ejgB-4qjyA:
17.09
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.
2IZQ_B_DVAB6_0
(GRAMICIDIN D)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 TRP A  76
ALA A 144
VAL A  80
None
0.68A 2izqA-4qjyA:
undetectable
2izqB-4qjyA:
undetectable
2izqA-4qjyA:
3.34
2izqB-4qjyA:
3.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 ASN A 493
ARG A 447
PRO A 469
THR A 466
VAL A 467
None
1.05A 2o7oA-4qjyA:
undetectable
2o7oA-4qjyA:
16.19
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.
2Q8H_A_TF4A438_1
([PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 6 LEU A 192
TYR A 204
ILE A 168
ILE A 142
None
0.97A 2q8hA-4qjyA:
undetectable
2q8hA-4qjyA:
21.20
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)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 PRO A 458
VAL A 587
GLY A 586
TRP A 459
None
0.85A 2qd3A-4qjyA:
undetectable
2qd3A-4qjyA:
19.35
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.
2R2V_C_ACTC36_0
(GCN4 LEUCINE ZIPPER)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 10 HIS A 393
ALA A 326
ASN A 377
ALA A 324
TYR A 325
None
1.30A 2r2vC-4qjyA:
undetectable
2r2vF-4qjyA:
undetectable
2r2vG-4qjyA:
undetectable
2r2vC-4qjyA:
5.15
2r2vF-4qjyA:
5.15
2r2vG-4qjyA:
5.15
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.
2XFS_A_J01A500_1
(ORF12)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 LEU A 344
GLY A 272
ALA A 275
LYS A 276
None
0.95A 2xfsA-4qjyA:
undetectable
2xfsA-4qjyA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XPV_A_MIYA1209_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 ASN A 493
ARG A 447
PRO A 469
THR A 466
VAL A 467
None
1.03A 2xpvA-4qjyA:
undetectable
2xpvA-4qjyA:
16.19
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.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 LEU A 158
VAL A 146
ASP A 166
ASN A 201
TYR A 204
None
1.41A 2y00A-4qjyA:
undetectable
2y00A-4qjyA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GN8_A_DEXA247_1
(GLUCOCORTICOID
RECEPTOR 2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 549
GLN A 547
ARG A 356
THR A 455
VAL A 463
None
1.44A 3gn8A-4qjyA:
undetectable
3gn8A-4qjyA:
16.05
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.
3GN8_B_DEXB247_1
(GLUCOCORTICOID
RECEPTOR 2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 549
GLN A 547
ARG A 356
THR A 455
VAL A 463
None
1.43A 3gn8B-4qjyA:
undetectable
3gn8B-4qjyA:
16.05
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 TYR A  82
GLU A  78
GLU A 143
ILE A  21
ACT  A 703 (-4.8A)
None
None
None
0.89A 3jz0B-4qjyA:
3.6
3jz0B-4qjyA:
19.38
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.
3L8L_A_DVAA6_0
(GRAMICIDIN D)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 ALA A 144
VAL A  80
TRP A  76
None
0.67A 3l8lA-4qjyA:
undetectable
3l8lB-4qjyA:
undetectable
3l8lA-4qjyA:
3.34
3l8lB-4qjyA:
2.17
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.
3L8L_C_DVAC6_0
(GRAMICIDIN D)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 ALA A 144
VAL A  80
TRP A  76
None
0.57A 3l8lC-4qjyA:
undetectable
3l8lD-4qjyA:
undetectable
3l8lC-4qjyA:
3.34
3l8lD-4qjyA:
2.17
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.
3PCQ_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 11 TRP A  76
ILE A  40
ALA A  35
LEU A  36
ALA A  48
None
None
ACT  A 704 ( 3.7A)
None
None
1.46A 3pcqB-4qjyA:
undetectable
3pcqB-4qjyA:
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.
3SUF_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 TYR A 350
LEU A 477
ARG A 480
None
0.81A 3sufB-4qjyA:
undetectable
3sufB-4qjyA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_A_SAMA501_0
(MNMC2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 TYR A 241
TYR A 182
GLY A 181
ALA A 228
PHE A 222
None
1.17A 3vywA-4qjyA:
undetectable
3vywA-4qjyA:
20.00
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.
3VYW_D_SAMD401_0
(MNMC2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 TYR A 241
TYR A 182
GLY A 181
ALA A 228
PHE A 222
None
1.15A 3vywD-4qjyA:
undetectable
3vywD-4qjyA:
20.00
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.
3W1W_A_CHDA1504_0
(FERROCHELATASE,
MITOCHONDRIAL)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 4 PRO A 501
LEU A 502
ILE A 510
ARG A 512
None
1.19A 3w1wA-4qjyA:
undetectable
3w1wA-4qjyA:
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.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 TYR A 624
PHE A 313
GLY A 305
ALA A 326
LEU A 334
None
1.04A 4e1gA-4qjyA:
undetectable
4e1gA-4qjyA:
22.10
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.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 TYR A 624
PHE A 313
GLY A 305
ALA A 326
LEU A 334
None
1.06A 4e1gB-4qjyA:
undetectable
4e1gB-4qjyA:
22.10
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.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 6 THR A 442
THR A   8
HIS A 433
LEU A 430
None
0.90A 4pgfA-4qjyA:
undetectable
4pgfA-4qjyA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2G_B_CTCB222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 ASN A 493
ARG A 447
PRO A 469
THR A 466
VAL A 467
None
1.10A 4v2gB-4qjyA:
undetectable
4v2gB-4qjyA:
16.19
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.
4XK8_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 10 TRP A  76
ILE A  40
ALA A  35
LEU A  36
ALA A  48
None
None
ACT  A 704 ( 3.7A)
None
None
1.47A 4xk8B-4qjyA:
2.5
4xk8B-4qjyA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_D_SORD1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 5 ALA A 333
HIS A 259
ALA A 260
GLU A 327
None
None
None
ACT  A 701 ( 4.8A)
1.06A 5a06C-4qjyA:
undetectable
5a06D-4qjyA:
undetectable
5a06C-4qjyA:
20.16
5a06D-4qjyA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2S_A_ACTA107_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 VAL A 589
THR A 591
ARG A 620
None
0.68A 5b2sB-4qjyA:
2.6
5b2sB-4qjyA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 VAL A 589
THR A 591
ARG A 620
None
0.67A 5b2tB-4qjyA:
0.4
5b2tB-4qjyA:
18.75
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.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 7 TYR A 435
ALA A 351
GLY A 348
GLY A 483
None
0.89A 5e26A-4qjyA:
undetectable
5e26B-4qjyA:
undetectable
5e26A-4qjyA:
21.00
5e26B-4qjyA:
21.00
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.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 7 GLY A 348
GLY A 483
TYR A 435
ALA A 351
None
0.87A 5e26C-4qjyA:
undetectable
5e26D-4qjyA:
undetectable
5e26C-4qjyA:
21.00
5e26D-4qjyA:
21.00
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.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 8 LEU A 358
LEU A  12
GLY A 419
SER A 417
None
None
None
ACT  A 703 ( 4.0A)
0.80A 5f1aA-4qjyA:
undetectable
5f1aA-4qjyA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 9 LEU A 103
LEU A 141
ALA A  96
VAL A  80
ALA A  74
None
1.41A 5g44A-4qjyA:
undetectable
5g44A-4qjyA:
18.15
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.
5IEN_A_VDYA201_1
(CDL2.2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 PHE A 336
LEU A 358
ILE A 422
GLU A  78
ALA A 416
None
1.21A 5ienA-4qjyA:
undetectable
5ienA-4qjyA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_B_VDYB201_2
(CDL2.2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
6 / 12 PHE A 336
LEU A 358
ILE A 422
TYR A  82
GLU A  78
ALA A 416
None
None
None
ACT  A 703 (-4.8A)
None
None
1.24A 5ienB-4qjyA:
undetectable
5ienB-4qjyA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 ILE A 248
HIS A 247
GLY A 216
ARG A 251
MET A 266
None
1.05A 5ih0A-4qjyA:
1.0
5ih0A-4qjyA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 LEU A 207
ASN A 203
ALA A 165
ILE A 142
ILE A 168
None
1.05A 5itzB-4qjyA:
undetectable
5itzB-4qjyA:
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 302
GLY A 361
THR A 301
VAL A 335
LEU A 334
None
1.16A 5kocB-4qjyA:
undetectable
5kocB-4qjyA:
21.12
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)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 6 ARG A 130
ARG A 262
ALA A 246
PHE A 235
None
1.30A 5odqA-4qjyA:
undetectable
5odqA-4qjyA:
23.22
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.
5WHY_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 11 TYR A  20
THR A 328
SER A 364
VAL A  23
VAL A  24
None
1.49A 5whyA-4qjyA:
undetectable
5whyA-4qjyA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 5 LEU A  77
PHE A 157
LEU A 103
PHE A  52
None
1.00A 5x19C-4qjyA:
undetectable
5x19J-4qjyA:
undetectable
5x19C-4qjyA:
16.02
5x19J-4qjyA:
6.54
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.
5X19_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
4 / 5 LEU A 113
PHE A  52
LEU A 103
PHE A 157
None
1.01A 5x19C-4qjyA:
undetectable
5x19J-4qjyA:
undetectable
5x19C-4qjyA:
16.02
5x19J-4qjyA:
6.54
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.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 10 ILE A 332
ILE A 142
ALA A 191
LEU A 190
ALA A 269
None
1.44A 5zjiB-4qjyA:
undetectable
5zjiB-4qjyA:
8.36
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.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 10 TRP A  76
ILE A  40
ALA A  35
LEU A  36
ALA A  48
None
None
ACT  A 704 ( 3.7A)
None
None
1.46A 5zjiB-4qjyA:
undetectable
5zjiB-4qjyA:
8.36
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.
6B5Y_C_9F2C302_1
(BETA-LACTAMASE)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 10 GLN A 107
ILE A 160
TYR A 148
THR A 152
ASP A 166
None
1.44A 6b5yC-4qjyA:
0.0
6b5yD-4qjyA:
0.0
6b5yC-4qjyA:
11.62
6b5yD-4qjyA:
11.62
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.
6FGC_A_ACTA811_0
(GEPHYRIN)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 LEU A 546
LEU A 569
ARG A 530
None
0.63A 6fgcA-4qjyA:
undetectable
6fgcA-4qjyA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGD_A_ACTA810_0
(GEPHYRIN)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
3 / 3 LEU A 546
LEU A 569
ARG A 530
None
0.63A 6fgdA-4qjyA:
undetectable
6fgdA-4qjyA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophil
us)
5 / 11 LEU A 342
MET A 346
THR A 426
LEU A 430
PHE A 431
None
1.48A 6hupA-4qjyA:
undetectable
6hupB-4qjyA:
1.6
6hupA-4qjyA:
9.18
6hupB-4qjyA:
9.27