SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4uwq'

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.
1JQE_A_QUNA500_1
(HISTAMINE
N-METHYLTRANSFERASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 12 VAL A 226
VAL A 233
TRP A 177
ASP A 207
PHE A 195
 None
 1.42A 1jqeA-4uwqA:
0.0		 1jqeA-4uwqA:
20.11
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.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 11 LEU A 443
VAL A 410
VAL A 396
GLY A 397
LEU A 445
 None
 1.49A 1lwcA-4uwqA:
undetectable		 1lwcA-4uwqA:
22.33
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 9 LEU A 443
VAL A 410
VAL A 396
GLY A 397
LEU A 445
 None
 1.46A 1lwfA-4uwqA:
undetectable		 1lwfA-4uwqA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 6 ASP A 259
GLY A 289
ILE A 287
ARG A 288
 None
 0.92A 1mt1G-4uwqA:
undetectable
1mt1J-4uwqA:
undetectable		 1mt1G-4uwqA:
5.95
1mt1J-4uwqA:
11.84
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.
1MT1_K_AG2K7002_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 ILE A 287
ARG A 288
ASP A 259
GLY A 289
 None
 0.91A 1mt1H-4uwqA:
undetectable
1mt1K-4uwqA:
undetectable		 1mt1H-4uwqA:
11.84
1mt1K-4uwqA:
5.95
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.
1NW5_A_SAMA401_0
(MODIFICATION
METHYLASE RSRI)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 12 TRP A 162
PHE A  45
GLY A 316
VAL A 314
ALA A 318
 None
 1.30A 1nw5A-4uwqA:
undetectable		 1nw5A-4uwqA:
17.94
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.
1S8F_B_BEZB1503_0
(RAS-RELATED PROTEIN
RAB-9A)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 6 VAL A 160
GLU A 176
LEU A 187
PHE A 191
 None
 1.04A 1s8fB-4uwqA:
undetectable		 1s8fB-4uwqA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VRT_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 9 LEU A 443
VAL A 410
VAL A 396
GLY A 397
LEU A 445
 None
 1.48A 1vrtA-4uwqA:
undetectable		 1vrtA-4uwqA:
22.71
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 4uwq SOXY PROTEIN
SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		3 / 3 ARG B 117
SER A 173
TYR A 230
 None
 0.77A 1x70A-4uwqB:
undetectable		 1x70A-4uwqB:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y7I_A_SALA501_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 9 GLY A  50
ALA A  52
SER A 148
LEU A 150
LEU A 364
 None
 1.21A 1y7iA-4uwqA:
undetectable		 1y7iA-4uwqA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		3 / 3 TRP A 417
THR A 439
TYR A 440
 None
 0.81A 2a3aA-4uwqA:
undetectable		 2a3aA-4uwqA:
22.43
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.
2A3A_B_TEPB2434_1
(CHITINASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		3 / 3 TRP A 417
THR A 439
TYR A 440
 None
 0.84A 2a3aB-4uwqA:
undetectable		 2a3aB-4uwqA:
22.43
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.
2A3B_A_CFFA1434_1
(CHITINASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		3 / 3 TRP A 417
THR A 439
TYR A 440
 None
 0.82A 2a3bA-4uwqA:
2.1		 2a3bA-4uwqA:
22.43
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.
2HNY_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 10 LEU A 443
VAL A 410
VAL A 396
GLY A 397
LEU A 445
 None
 1.49A 2hnyA-4uwqA:
undetectable		 2hnyA-4uwqA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_B_CCSB417_0
(ESTROGEN RECEPTOR)		 4uwq SOXY PROTEIN
(Thermus
thermophilus) 		3 / 3 GLN B  41
LYS B  44
VAL B  46
 None
 0.90A 2jfaB-4uwqB:
undetectable		 2jfaB-4uwqB:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2L8M_A_CAMA415_0
(CAMPHOR
5-MONOOXYGENASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 9 TYR A 518
THR A 436
LEU A 541
VAL A 400
ASP A 393
 None
 1.44A 2l8mA-4uwqA:
undetectable		 2l8mA-4uwqA:
23.24
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.
3A25_A_SAMA279_0
(UNCHARACTERIZED
PROTEIN PH0793)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 12 GLY A 296
HIS A 274
ILE A 293
ASP A 300
THR A 298
 None
MN  A 581 (-3.5A)
None
None
None
 1.47A 3a25A-4uwqA:
undetectable		 3a25A-4uwqA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LP1_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 10 LEU A 443
VAL A 410
VAL A 396
GLY A 397
LEU A 445
 None
 1.46A 3lp1A-4uwqA:
undetectable		 3lp1A-4uwqA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 10 LEU A 443
VAL A 410
VAL A 396
GLY A 397
LEU A 445
 None
 1.46A 3qipA-4uwqA:
undetectable		 3qipA-4uwqA:
22.71
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 12 HIS A 297
ALA A 282
HIS A 274
SER A  46
ASP A  47
 MN  A 581 (-3.3A)
None
MN  A 581 (-3.5A)
None
MN  A 580 (-3.2A)
 1.12A 4aqlA-4uwqA:
undetectable		 4aqlA-4uwqA:
22.26
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.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 9 HIS A 274
HIS A 174
HIS A 297
GLY A 475
HIS A 299
 MN  A 581 (-3.5A)
MN  A 581 (-3.3A)
MN  A 581 (-3.3A)
None
MN  A 580 (-3.6A)
 0.96A 4c1hA-4uwqA:
undetectable		 4c1hA-4uwqA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 11 PHE A 470
ASN A 275
SER A 295
VAL A 258
TYR A 198
 None
 1.44A 4claA-4uwqA:
undetectable		 4claA-4uwqA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGZ_B_CQAB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
SOXY PROTEIN
(Thermus
thermophilus;
Thermus
thermophilus) 		4 / 8 GLY A 474
GLY B 150
TYR A 440
TYR A 232
 None
 0.91A 4fgzB-4uwqA:
undetectable		 4fgzB-4uwqA:
17.58
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.
4IKI_A_IMNA201_1
(TRANSTHYRETIN)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		3 / 3 LYS A 135
LEU A 137
ALA A  40
 None
 0.40A 4ikiA-4uwqA:
undetectable		 4ikiA-4uwqA:
13.43
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.
4P6X_C_HCYC900_1
(GLUCOCORTICOID
RECEPTOR)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 11 MET A 171
LEU A 294
MET A 324
GLN A 163
THR A 144
 None
 1.40A 4p6xC-4uwqA:
undetectable		 4p6xC-4uwqA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(ADENOSYLHOMOCYSTEINA
SE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 6 GLU A 157
THR A 154
THR A 144
ASN A 164
 None
 1.19A 4pfjB-4uwqA:
undetectable		 4pfjB-4uwqA:
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.
4TZC_B_EF2B505_1
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 11 HIS A 174
TRP A 177
PHE A 195
ASN A 147
THR A 439
 MN  A 581 (-3.3A)
None
None
None
None
 1.37A 4tzcB-4uwqA:
0.0
4tzcD-4uwqA:
0.0		 4tzcB-4uwqA:
12.08
4tzcD-4uwqA:
12.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TZU_B_Y70B505_1
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 HIS A 174
TRP A 177
PHE A 195
THR A 439
 MN  A 581 (-3.3A)
None
None
None
 1.23A 4tzuB-4uwqA:
undetectable
4tzuC-4uwqA:
undetectable		 4tzuB-4uwqA:
10.14
4tzuC-4uwqA:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TZU_C_Y70C504_1
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 THR A 439
HIS A 174
TRP A 177
PHE A 195
 None
MN  A 581 (-3.3A)
None
None
 1.27A 4tzuB-4uwqA:
undetectable
4tzuC-4uwqA:
undetectable		 4tzuB-4uwqA:
10.14
4tzuC-4uwqA:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UDA_A_DEXA1985_1
(MINERALOCORTICOID
RECEPTOR)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 12 ALA A  52
GLN A  51
SER A 148
LEU A 153
PHE A 359
 None
 1.38A 4udaA-4uwqA:
undetectable		 4udaA-4uwqA:
17.67
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.
5HBM_A_NVPA601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 11 LEU A 443
VAL A 410
VAL A 396
GLY A 397
LEU A 445
 None
 1.44A 5hbmA-4uwqA:
undetectable		 5hbmA-4uwqA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 4uwq SOXY PROTEIN
(Thermus
thermophilus) 		4 / 7 ILE B 102
HIS B  38
LEU B  39
ALA B  42
 None
 0.81A 5hrqE-4uwqB:
undetectable
5hrqF-4uwqB:
undetectable
5hrqJ-4uwqB:
undetectable		 5hrqE-4uwqB:
7.14
5hrqF-4uwqB:
16.00
5hrqJ-4uwqB:
16.00
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.
5K9D_A_ACTA405_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		3 / 3 GLN A 163
THR A 144
ASP A 140
 None
 0.79A 5k9dA-4uwqA:
2.2		 5k9dA-4uwqA:
24.07
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.
5KMW_A_PNNA305_0
(BETA-LACTAMASE
TOHO-1)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 4 ASN A 275
PRO A 231
ASN A 199
ASP A 250
 None
 1.14A 5kmwA-4uwqA:
0.0		 5kmwA-4uwqA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVS_A_ADNA401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 GLY A 450
LYS A 454
ALA A 455
ASN A 510
 None
 0.97A 5mvsA-4uwqA:
undetectable		 5mvsA-4uwqA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 6 ASP A 143
ASP A  47
HIS A  49
HIS A 299
HIS A 274
 MN  A 581 ( 2.9A)
MN  A 580 (-3.2A)
MN  A 580 (-3.9A)
MN  A 580 (-3.6A)
MN  A 581 (-3.5A)
 1.13A 5ncdA-4uwqA:
undetectable
5ncdD-4uwqA:
undetectable		 5ncdA-4uwqA:
18.57
5ncdD-4uwqA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 6 ASP A 143
ASP A  47
HIS A  49
HIS A 299
HIS A 274
 MN  A 581 ( 2.9A)
MN  A 580 (-3.2A)
MN  A 580 (-3.9A)
MN  A 580 (-3.6A)
MN  A 581 (-3.5A)
 1.12A 5ncdB-4uwqA:
undetectable
5ncdC-4uwqA:
undetectable		 5ncdB-4uwqA:
18.57
5ncdC-4uwqA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 6 ASP A 143
ASP A  47
HIS A  49
HIS A 299
HIS A 274
 MN  A 581 ( 2.9A)
MN  A 580 (-3.2A)
MN  A 580 (-3.9A)
MN  A 580 (-3.6A)
MN  A 581 (-3.5A)
 1.10A 5nelA-4uwqA:
undetectable
5nelD-4uwqA:
undetectable		 5nelA-4uwqA:
18.57
5nelD-4uwqA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 6 ASP A 143
HIS A  49
HIS A 299
HIS A 274
 MN  A 581 ( 2.9A)
MN  A 580 (-3.9A)
MN  A 580 (-3.6A)
MN  A 581 (-3.5A)
 1.03A 5nelB-4uwqA:
undetectable
5nelC-4uwqA:
undetectable		 5nelB-4uwqA:
18.57
5nelC-4uwqA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNW_D_GCSD302_1
(25 KDA PROTEIN
ELICITOR)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 ASP A  47
HIS A 299
HIS A 174
ASP A 143
 MN  A 580 (-3.2A)
MN  A 580 (-3.6A)
MN  A 581 (-3.3A)
MN  A 581 ( 2.9A)
 1.07A 5nnwD-4uwqA:
undetectable		 5nnwD-4uwqA:
8.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 ASP A  47
HIS A 299
HIS A 174
ASP A 143
 MN  A 580 (-3.2A)
MN  A 580 (-3.6A)
MN  A 581 (-3.3A)
MN  A 581 ( 2.9A)
 1.08A 5no9D-4uwqA:
undetectable		 5no9D-4uwqA:
8.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 12 LEU A  93
LEU A  97
SER A  98
LEU A  82
VAL A  87
 None
 1.14A 5twjC-4uwqA:
undetectable		 5twjC-4uwqA:
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.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 11 VAL A 218
GLY A 219
ALA A  40
LEU A 223
ASN A 267
 None
 0.91A 5x6yA-4uwqA:
undetectable		 5x6yA-4uwqA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 10 VAL A 218
GLY A 219
ALA A  40
LEU A 223
ASN A 267
 None
 1.13A 5x6yB-4uwqA:
undetectable		 5x6yB-4uwqA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_C_SAMC901_0
(MRNA CAPPING ENZYME
P5)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 11 VAL A 218
GLY A 219
ALA A  40
LEU A 223
ASN A 267
 None
 0.89A 5x6yC-4uwqA:
3.2		 5x6yC-4uwqA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YIZ_G_EF2G501_1
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 HIS A 174
TRP A 177
PHE A 195
THR A 439
 MN  A 581 (-3.3A)
None
None
None
 1.27A 5yizG-4uwqA:
0.1
5yizY-4uwqA:
0.2		 5yizG-4uwqA:
10.91
5yizY-4uwqA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YIZ_T_EF2T501_1
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 THR A 439
HIS A 174
TRP A 177
PHE A 195
 None
MN  A 581 (-3.3A)
None
None
 1.27A 5yizk-4uwqA:
0.0
5yizt-4uwqA:
0.0		 5yizk-4uwqA:
10.91
5yizt-4uwqA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YIZ_Y_EF2Y501_1
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 THR A 439
HIS A 174
TRP A 177
PHE A 195
 None
MN  A 581 (-3.3A)
None
None
 1.25A 5yizG-4uwqA:
undetectable
5yizY-4uwqA:
undetectable		 5yizG-4uwqA:
10.91
5yizY-4uwqA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ0_G_EF2G501_1
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 HIS A 174
TRP A 177
PHE A 195
THR A 439
 MN  A 581 (-3.3A)
None
None
None
 1.29A 5yj0G-4uwqA:
0.0
5yj0Y-4uwqA:
0.0		 5yj0G-4uwqA:
10.91
5yj0Y-4uwqA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ0_T_EF2T501_1
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 THR A 439
HIS A 174
TRP A 177
PHE A 195
 None
MN  A 581 (-3.3A)
None
None
 1.27A 5yj0k-4uwqA:
0.0
5yj0t-4uwqA:
0.0		 5yj0k-4uwqA:
10.91
5yj0t-4uwqA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 8 HIS A 174
TRP A 177
PHE A 195
THR A 439
 MN  A 581 (-3.3A)
None
None
None
 1.22A 5yj1G-4uwqA:
undetectable
5yj1Y-4uwqA:
undetectable		 5yj1G-4uwqA:
12.34
5yj1Y-4uwqA:
12.34
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.
5YJ1_T_6ELT501_0
(PROTEIN CEREBLON)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 8 THR A 439
HIS A 174
TRP A 177
PHE A 195
 None
MN  A 581 (-3.3A)
None
None
 1.21A 5yj1k-4uwqA:
undetectable
5yj1t-4uwqA:
undetectable		 5yj1k-4uwqA:
12.34
5yj1t-4uwqA:
12.34
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.
6AG0_A_ACRA609_0
(ALPHA-AMYLASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 GLY A 474
ASP A 143
TRP A 417
TYR A 230
 None
MN  A 581 ( 2.9A)
None
None
 1.25A 6ag0A-4uwqA:
2.2		 6ag0A-4uwqA:
9.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 12 VAL A 166
VAL A 168
GLY A 316
PHE A  57
GLY A  50
 None
 1.18A 6brdC-4uwqA:
undetectable		 6brdC-4uwqA:
8.73
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.
6ELI_A_T27A701_1
(REVERSE
TRANSCRIPTASE)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		5 / 12 PRO A 489
LEU A 487
PRO A 557
LEU A 388
TYR A 485
 None
 1.47A 6eliA-4uwqA:
undetectable		 6eliA-4uwqA:
8.32
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.
6G2P_A_TRPA502_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 4uwq SULFUR OXIDATION
PROTEIN SOXB
(Thermus
thermophilus) 		4 / 7 TYR A 383
LEU A 395
TYR A 389
VAL A 553
 None
 1.24A 6g2pA-4uwqA:
undetectable		 6g2pA-4uwqA:
22.01