SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BEF'


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.
1C6Y_B_MK1B524_2
(PROTEIN (PROTEASE))
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.83A 1c6yB-3nnsA:
undetectable
1c6yB-3nnsA:
23.02
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.
1C9S_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
4 / 7 GLY A 289
ALA A 589
THR A 583
THR A 442
BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
None
0.77A 1c9sT-4umvA:
undetectable
1c9sU-4umvA:
undetectable
1c9sT-4umvA:
7.07
1c9sU-4umvA:
7.07
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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum)
5 / 12 LEU A 310
ILE A 383
ALA A 384
VAL A 154
ARG A 435
None
U  E   5 ( 4.2A)
None
None
BEF  A 803 ( 2.8A)
1.06A 1cbsA-5ltaA:
undetectable
1cbsA-5ltaA:
12.35
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.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)
4ldz TRANSCRIPTIONAL
REGULATORY PROTEIN
DESR

(Bacillus
subtilis)
5 / 12 THR A 139
ILE A  78
THR A  80
LEU A 101
LEU A 131
None
None
BEF  A 202 (-3.7A)
None
None
1.22A 1eiiA-4ldzA:
undetectable
1eiiA-4ldzA:
20.60
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)
5yew MITOFUSIN-1,MITOFUSI
N-1 FUSION PROTEIN

(Homo
sapiens)
4 / 8 SER B  86
SER B  89
GLY B 181
GLY B  82
GDP  B 801 (-4.1A)
MG  B 804 ( 2.1A)
BEF  B 802 (-3.3A)
None
0.73A 1f5lA-5yewB:
undetectable
1f5lA-5yewB:
17.00
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.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.82A 1fb7A-3nnsA:
undetectable
1fb7A-3nnsA:
20.66
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.
1GEB_A_CAMA418_0
(CYTOCHROME P450-CAM)
3hb0 EYES ABSENT HOMOLOG
2 (DROSOPHILA)

(Homo
sapiens)
5 / 9 THR A 447
LEU A 275
VAL A 458
ILE A 312
ILE A 452
BEF  A 801 (-3.7A)
BEF  A 801 (-4.2A)
None
None
None
1.37A 1gebA-3hb0A:
undetectable
1gebA-3hb0A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_L_TRPL81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
4 / 7 GLY A 289
ALA A 589
THR A 583
THR A 442
BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
None
0.77A 1gtfL-4umvA:
undetectable
1gtfM-4umvA:
undetectable
1gtfL-4umvA:
7.07
1gtfM-4umvA:
7.07
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.
1GTF_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
4 / 8 GLY A 289
ALA A 589
THR A 583
THR A 442
BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
None
0.78A 1gtfN-4umvA:
undetectable
1gtfO-4umvA:
undetectable
1gtfN-4umvA:
7.07
1gtfO-4umvA:
7.07
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.
1GTN_I_TRPI81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.03A 1gtnH-4umvA:
undetectable
1gtnI-4umvA:
undetectable
1gtnH-4umvA:
7.07
1gtnI-4umvA:
7.07
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.
1IKE_A_HSMA190_1
(NITROPHORIN 4)
1zh4 KDP OPERON
TRANSCRIPTIONAL
REGULATORY PROTEIN
KDPE

(Escherichia
coli)
3 / 3 ASP A   9
LEU A  53
LEU A  55
MG  A 201 (-2.4A)
BEF  A 301 (-4.7A)
None
0.77A 1ikeA-1zh4A:
undetectable
1ikeA-1zh4A:
20.21
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.
1IKE_A_HSMA190_1
(NITROPHORIN 4)
2pl1 TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOP

(Escherichia
coli)
3 / 3 ASP A   8
LEU A  52
LEU A  54
MG  A 204 (-2.6A)
BEF  A 205 (-4.3A)
None
0.69A 1ikeA-2pl1A:
undetectable
1ikeA-2pl1A:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IKE_A_HSMA190_1
(NITROPHORIN 4)
3w9s OMPR FAMILY RESPONSE
REGULATOR IN
TWO-COMPONENT
REGULATORY SYSTEM
WITH BASS

(Klebsiella
pneumoniae)
3 / 3 ASP A   8
LEU A  52
LEU A  54
MG  A 202 (-2.6A)
BEF  A 201 (-4.5A)
None
0.69A 1ikeA-3w9sA:
undetectable
1ikeA-3w9sA:
21.16
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.
1KIA_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)
5yew MITOFUSIN-1,MITOFUSI
N-1 FUSION PROTEIN

(Homo
sapiens)
5 / 12 ILE B 108
GLY B 181
ASP B 178
GLY B  87
LEU B 212
K  B 803 (-4.2A)
BEF  B 802 (-3.3A)
MG  B 804 ( 3.8A)
GDP  B 801 (-3.6A)
None
1.08A 1kiaC-5yewB:
undetectable
1kiaC-5yewB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NP1_B_HSMB304_1
(NITROPHORIN 1)
2pl1 TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOP

(Escherichia
coli)
3 / 3 ASP A   8
LEU A  52
LEU A  54
MG  A 204 (-2.6A)
BEF  A 205 (-4.3A)
None
0.75A 1np1B-2pl1A:
undetectable
1np1B-2pl1A:
19.25
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.
1NP1_B_HSMB304_1
(NITROPHORIN 1)
3w9s OMPR FAMILY RESPONSE
REGULATOR IN
TWO-COMPONENT
REGULATORY SYSTEM
WITH BASS

(Klebsiella
pneumoniae)
3 / 3 ASP A   8
LEU A  52
LEU A  54
MG  A 202 (-2.6A)
BEF  A 201 (-4.5A)
None
0.75A 1np1B-3w9sA:
undetectable
1np1B-3w9sA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)
3w9s OMPR FAMILY RESPONSE
REGULATOR IN
TWO-COMPONENT
REGULATORY SYSTEM
WITH BASS

(Klebsiella
pneumoniae)
5 / 12 TYR A  98
GLY A  90
THR A  79
SER A  64
ASP A  86
None
None
BEF  A 201 (-3.7A)
None
None
1.11A 1nt2A-3w9sA:
3.6
1nt2A-3w9sA:
20.95
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.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)
4s05 DNA-BINDING
TRANSCRIPTIONAL
REGULATOR BASR

(Klebsiella
pneumoniae)
5 / 12 TYR A  98
GLY A  90
THR A  79
SER A  64
ASP A  86
None
None
BEF  A 301 (-3.7A)
None
None
0.97A 1nt2A-4s05A:
undetectable
1nt2A-4s05A:
25.00
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.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 11 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.87A 1ohrA-3nnnA:
undetectable
1ohrA-3nnnA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 11 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.79A 1ohrA-3nnsA:
undetectable
1ohrA-3nnsA:
22.31
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.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))
5sup ATP-DEPENDENT RNA
HELICASE SUB2

(Saccharomyces
cerevisiae)
6 / 10 GLY A 111
PHE A 246
SER A 247
ALA A 248
SER A 108
GLY A 109
ADP  A1000 ( 3.3A)
None
None
BEF  A1001 ( 3.9A)
BEF  A1001 ( 4.2A)
ADP  A1000 ( 3.2A)
0.95A 1stfE-5supA:
undetectable
1stfI-5supA:
undetectable
1stfE-5supA:
18.27
1stfI-5supA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_A_BEZA11_0
(CES1 PROTEIN)
3hb0 EYES ABSENT HOMOLOG
2 (DROSOPHILA)

(Homo
sapiens)
4 / 4 LEU A 463
SER A 428
LEU A 445
LEU A 275
None
None
None
BEF  A 801 (-4.2A)
1.14A 1yajA-3hb0A:
undetectable
1yajA-3hb0A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae)
5 / 12 ILE A 499
ILE A 497
ALA A 338
THR A 154
ALA A 468
None
None
None
BEF  A 602 (-4.4A)
None
0.94A 2j0dA-4tz0A:
undetectable
2j0dA-4tz0A:
24.16
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.
2NMY_A_ROCA401_1
(PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 12 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.90A 2nmyA-3nnnA:
undetectable
2nmyA-3nnnA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NMY_A_ROCA401_1
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.86A 2nmyA-3nnsA:
undetectable
2nmyA-3nnsA:
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.
2NNP_A_ROCA401_1
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 11 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.93A 2nnpA-3nnsA:
undetectable
2nnpA-3nnsA:
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5sup ATP-DEPENDENT RNA
HELICASE SUB2

(Saccharomyces
cerevisiae)
4 / 4 ARG A 368
GLY A 367
GLU A 216
SER A 408
None
None
BEF  A1001 ( 4.0A)
None
1.23A 2xctS-5supA:
undetectable
2xctU-5supA:
undetectable
2xctS-5supA:
21.41
2xctU-5supA:
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.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 12 THR A 583
ILE A 581
GLY A 439
THR A 440
LEU A 477
BEF  A1732 (-4.2A)
None
MG  A1731 ( 4.6A)
None
None
0.97A 2y7hB-4umvA:
undetectable
2y7hB-4umvA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 12 THR A 583
ILE A 581
GLY A 439
THR A 440
LEU A 477
BEF  A1732 (-4.2A)
None
MG  A1731 ( 4.6A)
None
None
0.97A 2y7hC-4umvA:
undetectable
2y7hC-4umvA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 12 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.86A 3d1xA-3nnnA:
undetectable
3d1xA-3nnnA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.80A 3d1xA-3nnsA:
undetectable
3d1xA-3nnsA:
22.31
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.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 12 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.87A 3d1yA-3nnnA:
undetectable
3d1yA-3nnnA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.81A 3d1yA-3nnsA:
undetectable
3d1yA-3nnsA:
22.31
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.
3EKX_B_1UNB201_1
(PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 11 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.84A 3ekxA-3nnnA:
undetectable
3ekxA-3nnnA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKX_B_1UNB201_1
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 11 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.78A 3ekxA-3nnsA:
undetectable
3ekxA-3nnsA:
22.13
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.
3EL0_A_1UNA201_1
(PROTEASE)
1zes PHOSPHATE REGULON
TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOB

(Escherichia
coli)
4 / 8 GLY A  98
ALA A  99
ASP A 100
THR A  83
None
None
None
BEF  A 201 (-3.5A)
0.60A 3el0A-1zesA:
undetectable
3el0A-1zesA:
21.71
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.
3EL0_A_1UNA201_1
(PROTEASE)
2pl1 TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOP

(Escherichia
coli)
4 / 8 GLY A  94
ALA A  95
ASP A  96
THR A  79
None
None
None
BEF  A 205 (-3.5A)
0.64A 3el0A-2pl1A:
undetectable
3el0A-2pl1A:
19.51
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.
3EL0_A_1UNA201_1
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
4 / 8 GLY A  93
ALA A  94
ASP A  95
THR A  78
None
None
None
BEF  A 402 (-3.6A)
0.62A 3el0A-3nnsA:
undetectable
3el0A-3nnsA:
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.
3EL0_A_1UNA201_1
(PROTEASE)
3w9s OMPR FAMILY RESPONSE
REGULATOR IN
TWO-COMPONENT
REGULATORY SYSTEM
WITH BASS

(Klebsiella
pneumoniae)
4 / 8 GLY A  94
ALA A  95
ASP A  96
THR A  79
None
None
None
BEF  A 201 (-3.7A)
0.60A 3el0A-3w9sA:
undetectable
3el0A-3w9sA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL4_A_ROCA100_1
(PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 12 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.84A 3el4A-3nnnA:
undetectable
3el4A-3nnnA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL4_A_ROCA100_1
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.80A 3el4A-3nnsA:
undetectable
3el4A-3nnsA:
22.13
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.
3EL5_B_1UNB201_2
(PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 12 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.78A 3el5B-3nnnA:
undetectable
3el5B-3nnnA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL5_B_1UNB201_2
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.71A 3el5B-3nnsA:
undetectable
3el5B-3nnsA:
22.13
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.
3EL9_A_DR7A100_1
(PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
4 / 8 ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
BEF  A 402 (-3.2A)
0.84A 3el9A-3nnnA:
undetectable
3el9A-3nnnA:
18.25
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.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)
4ldz TRANSCRIPTIONAL
REGULATORY PROTEIN
DESR

(Bacillus
subtilis)
4 / 7 ILE A  55
GLY A  86
VAL A  96
LEU A 101
BEF  A 202 (-3.6A)
None
None
None
0.93A 3elzA-4ldzA:
undetectable
3elzA-4ldzA:
19.70
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 11 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
1.04A 3g88A-4umvA:
undetectable
3g88A-4umvA:
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.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 11 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
1.03A 3g88B-4umvA:
3.6
3g88B-4umvA:
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 12 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
1.02A 3g89A-4umvA:
undetectable
3g89A-4umvA:
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 11 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
1.02A 3g89B-4umvA:
undetectable
3g89B-4umvA:
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 12 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
1.02A 3g8bA-4umvA:
undetectable
3g8bA-4umvA:
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.
3G8B_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 12 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
1.00A 3g8bB-4umvA:
undetectable
3g8bB-4umvA:
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.
3IJD_B_C2FB314_1
(UNCHARACTERIZED
PROTEIN)
5bq5 INSERTION SEQUENCE
IS5376 PUTATIVE
ATP-BINDING PROTEIN

(Geobacillus
stearothermophil
us)
3 / 3 THR A 112
LYS A 153
GLU A 167
MG  A 302 ( 3.1A)
None
BEF  A 303 ( 4.9A)
1.02A 3ijdB-5bq5A:
undetectable
3ijdB-5bq5A:
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
4 / 8 SER A 285
ASP A 559
ASP A 628
ASP A 436
None
None
MG  A1731 ( 1.1A)
BEF  A1732 ( 2.0A)
0.91A 3n2oC-4umvA:
undetectable
3n2oD-4umvA:
undetectable
3n2oC-4umvA:
21.35
3n2oD-4umvA:
21.35
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.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus)
5 / 10 ASN A 585
HIS A 696
TYR A 737
GLY A 588
ALA A 587
BEF  A 998 (-3.4A)
SO4  A 852 (-4.3A)
None
ADP  A 999 (-3.4A)
ADP  A 999 (-4.4A)
1.46A 3pp7B-1nneA:
undetectable
3pp7B-1nneA:
21.39
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.
3S56_A_ROCA201_1
(PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 12 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.92A 3s56A-3nnnA:
undetectable
3s56A-3nnnA:
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.
3S56_A_ROCA201_1
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.82A 3s56A-3nnsA:
undetectable
3s56A-3nnsA:
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.
3TKG_C_ROCC901_1
(PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 12 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.78A 3tkgC-3nnnA:
undetectable
3tkgC-3nnnA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_C_ROCC901_1
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.68A 3tkgC-3nnsA:
undetectable
3tkgC-3nnsA:
22.31
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.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 11 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.82A 3ufnA-3nnsA:
undetectable
3ufnA-3nnsA:
23.02
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.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)
5dxi TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans)
4 / 7 ASP A 230
GLY A  66
THR A  29
LYS A 188
MG  A 401 (-2.6A)
TRE  A 403 ( 3.4A)
None
BEF  A 402 (-2.7A)
1.07A 3vnsA-5dxiA:
undetectable
3vnsA-5dxiA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum)
5 / 12 ARG A 432
GLY A 119
VAL A 118
GLU A 219
SER A 123
BEF  A 803 (-2.9A)
None
None
BEF  A 803 (-3.6A)
ADP  A 801 (-4.5A)
1.16A 4danA-5ltaA:
undetectable
4danB-5ltaA:
undetectable
4danA-5ltaA:
15.47
4danB-5ltaA:
15.47
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.
4KIC_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)
6ftx -
(-)
3 / 3 ARG W 804
ASP W 798
ASP W 790
BEF  W1301 (-3.6A)
None
None
0.80A 4kicB-6ftxW:
undetectable
4kicB-6ftxW:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)
5dxi TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans)
5 / 10 ILE A  64
ASP A 234
LEU A  46
ILE A  63
THR A 233
None
MG  A 401 ( 4.2A)
None
None
BEF  A 402 ( 4.6A)
1.24A 4km0A-5dxiA:
2.5
4km0A-5dxiA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LJ0_A_ACTA505_0
(NAB2)
4if4 RESPONSE REGULATOR
PROTEIN VRAR

(Staphylococcus
aureus)
3 / 3 LEU A 104
LYS A 105
THR A 106
None
BEF  A 301 (-2.8A)
None
0.59A 4lj0A-4if4A:
undetectable
4lj0A-4if4A:
14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJT_D_017D101_2
(PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 9 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
1.12A 4njtD-3nnnA:
undetectable
4njtD-3nnnA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJT_D_017D101_2
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 9 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
1.10A 4njtD-3nnsA:
undetectable
4njtD-3nnsA:
22.95
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.
4NJV_D_RITD500_2
(PROTEASE)
4s05 DNA-BINDING
TRANSCRIPTIONAL
REGULATOR BASR

(Klebsiella
pneumoniae)
5 / 12 GLY A  94
ALA A  95
ILE A  48
THR A  79
ILE A  77
None
None
None
BEF  A 301 (-3.7A)
None
1.12A 4njvD-4s05A:
undetectable
4njvD-4s05A:
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.
4QGI_A_ROCA101_1
(PROTEASE)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 11 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.88A 4qgiA-3nnnA:
undetectable
4qgiA-3nnnA:
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.
4QGI_A_ROCA101_1
(PROTEASE)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 11 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.79A 4qgiA-3nnsA:
undetectable
4qgiA-3nnsA:
20.66
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.
4XJE_A_TOYA202_1
(AADB)
4d6y BACTERIAL
REGULATORY, FIS
FAMILY PROTEIN

(Brucella
abortus)
4 / 8 ASP A  10
ASP A  53
ASP A   9
ILE A 103
MG  A1126 (-2.6A)
BEF  A1125 ( 2.2A)
MG  A1126 ( 4.1A)
None
1.00A 4xjeA-4d6yA:
undetectable
4xjeA-4d6yA:
24.61
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.
4XJE_A_TOYA202_1
(AADB)
4hns CHEMOTAXIS PROTEIN
CHEY

(Vibrio
cholerae)
4 / 8 ASP A  16
ASP A  60
ASP A  15
ILE A 110
MG  A 201 (-2.6A)
BEF  A 202 ( 2.0A)
MG  A 201 ( 4.3A)
None
1.03A 4xjeA-4hnsA:
undetectable
4xjeA-4hnsA:
24.18
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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae)
4 / 7 SER A 438
ARG A 429
GLY A 428
THR A 142
None
BEF  A 503 ( 2.6A)
None
M2A  A 501 (-4.5A)
0.97A 5btaA-5elxA:
undetectable
5btaC-5elxA:
undetectable
5btaD-5elxA:
2.0
5btaA-5elxA:
22.65
5btaC-5elxA:
22.65
5btaD-5elxA:
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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae)
4 / 6 SER A 438
ARG A 429
GLY A 428
THR A 142
None
BEF  A 503 ( 2.6A)
None
M2A  A 501 (-4.5A)
0.97A 5btaA-5elxA:
undetectable
5btaB-5elxA:
2.5
5btaC-5elxA:
undetectable
5btaA-5elxA:
22.65
5btaB-5elxA:
20.96
5btaC-5elxA:
22.65
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae)
4 / 6 SER A 438
ARG A 429
GLY A 428
THR A 142
None
BEF  A 503 ( 2.6A)
None
M2A  A 501 (-4.5A)
1.00A 5btcA-5elxA:
undetectable
5btcC-5elxA:
undetectable
5btcD-5elxA:
2.0
5btcA-5elxA:
22.65
5btcC-5elxA:
22.65
5btcD-5elxA:
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae)
4 / 6 SER A 438
ARG A 429
GLY A 428
THR A 142
None
BEF  A 503 ( 2.6A)
None
M2A  A 501 (-4.5A)
1.01A 5btcA-5elxA:
undetectable
5btcB-5elxA:
2.5
5btcC-5elxA:
undetectable
5btcA-5elxA:
22.65
5btcB-5elxA:
20.96
5btcC-5elxA:
22.65
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)
4d6y BACTERIAL
REGULATORY, FIS
FAMILY PROTEIN

(Brucella
abortus)
4 / 8 ASP A  10
ASP A  53
ASP A   9
ILE A 103
MG  A1126 (-2.6A)
BEF  A1125 ( 2.2A)
MG  A1126 ( 4.1A)
None
1.01A 5cfsA-4d6yA:
undetectable
5cfsA-4d6yA:
24.61
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)
4hns CHEMOTAXIS PROTEIN
CHEY

(Vibrio
cholerae)
4 / 8 ASP A  16
ASP A  60
ASP A  15
ILE A 110
MG  A 201 (-2.6A)
BEF  A 202 ( 2.0A)
MG  A 201 ( 4.3A)
None
1.00A 5cfsA-4hnsA:
undetectable
5cfsA-4hnsA:
24.18
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)
4s05 DNA-BINDING
TRANSCRIPTIONAL
REGULATOR BASR

(Klebsiella
pneumoniae)
4 / 6 ALA A  80
THR A  79
VAL A 100
TYR A  98
BEF  A 301 (-3.5A)
BEF  A 301 (-3.7A)
None
None
1.05A 5eclA-4s05A:
1.9
5eclA-4s05A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)
4hns CHEMOTAXIS PROTEIN
CHEY

(Vibrio
cholerae)
4 / 6 ALA A  91
THR A  90
VAL A 111
TYR A 109
BEF  A 202 (-3.8A)
BEF  A 202 (-3.4A)
None
None
0.92A 5ecoA-4hnsA:
2.9
5ecoA-4hnsA:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)
4s05 DNA-BINDING
TRANSCRIPTIONAL
REGULATOR BASR

(Klebsiella
pneumoniae)
4 / 6 ALA A  80
THR A  79
VAL A 100
TYR A  98
BEF  A 301 (-3.5A)
BEF  A 301 (-3.7A)
None
None
0.94A 5ecoA-4s05A:
2.4
5ecoA-4s05A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEU_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.03A 5eeuF-4umvA:
undetectable
5eeuG-4umvA:
undetectable
5eeuF-4umvA:
7.07
5eeuG-4umvA:
7.07
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.
5EEU_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 12 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.03A 5eeuI-4umvA:
undetectable
5eeuJ-4umvA:
undetectable
5eeuI-4umvA:
7.07
5eeuJ-4umvA:
7.07
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.
5EEV_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.03A 5eevF-4umvA:
undetectable
5eevG-4umvA:
undetectable
5eevF-4umvA:
7.07
5eevG-4umvA:
7.07
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.
5EEV_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 12 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.03A 5eevI-4umvA:
undetectable
5eevJ-4umvA:
undetectable
5eevI-4umvA:
7.07
5eevJ-4umvA:
7.07
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.
5EEW_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.04A 5eewF-4umvA:
undetectable
5eewG-4umvA:
undetectable
5eewF-4umvA:
7.07
5eewG-4umvA:
7.07
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.
5EEW_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 12 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.03A 5eewI-4umvA:
undetectable
5eewJ-4umvA:
undetectable
5eewI-4umvA:
7.07
5eewJ-4umvA:
7.07
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.
5EEX_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.03A 5eexF-4umvA:
undetectable
5eexG-4umvA:
undetectable
5eexF-4umvA:
7.07
5eexG-4umvA:
7.07
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.
5EEY_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.04A 5eeyF-4umvA:
undetectable
5eeyG-4umvA:
undetectable
5eeyF-4umvA:
7.07
5eeyG-4umvA:
7.07
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.
5EEZ_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.04A 5eezF-4umvA:
undetectable
5eezG-4umvA:
undetectable
5eezF-4umvA:
7.07
5eezG-4umvA:
7.07
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.
5EEZ_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
4 / 8 THR A 442
GLY A 289
ALA A 589
THR A 583
None
BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
0.81A 5eezL-4umvA:
undetectable
5eezV-4umvA:
undetectable
5eezL-4umvA:
7.07
5eezV-4umvA:
7.07
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.
5EF0_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.04A 5ef0F-4umvA:
undetectable
5ef0G-4umvA:
undetectable
5ef0F-4umvA:
7.07
5ef0G-4umvA:
7.07
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.
5EF1_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.04A 5ef1F-4umvA:
undetectable
5ef1G-4umvA:
undetectable
5ef1F-4umvA:
7.07
5ef1G-4umvA:
7.07
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.
5EF1_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
4 / 8 THR A 442
GLY A 289
ALA A 589
THR A 583
None
BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
0.80A 5ef1L-4umvA:
undetectable
5ef1V-4umvA:
undetectable
5ef1L-4umvA:
7.07
5ef1V-4umvA:
7.07
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.
5EF2_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.04A 5ef2F-4umvA:
undetectable
5ef2G-4umvA:
undetectable
5ef2F-4umvA:
7.07
5ef2G-4umvA:
7.07
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.
5EF2_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
4 / 8 THR A 442
GLY A 289
ALA A 589
THR A 583
None
BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
0.80A 5ef2L-4umvA:
undetectable
5ef2V-4umvA:
undetectable
5ef2L-4umvA:
7.07
5ef2V-4umvA:
7.07
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.
5EF3_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
4umv ZINC-TRANSPORTING
ATPASE

(Shigella
sonnei)
5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
1.04A 5ef3F-4umvA:
undetectable
5ef3G-4umvA:
undetectable
5ef3F-4umvA:
7.07
5ef3G-4umvA:
7.07
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.
5IAO_C_URFC301_1
(BIFUNCTIONAL PROTEIN
PYRR)
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae)
3 / 3 ARG A 469
HIS A 462
ARG A 466
BEF  A 602 ( 2.6A)
None
BEF  A 602 (-3.0A)
1.11A 5iaoC-4tz0A:
2.6
5iaoC-4tz0A:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IAO_C_URFC301_1
(BIFUNCTIONAL PROTEIN
PYRR)
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae)
3 / 3 ARG A 429
HIS A 422
ARG A 426
BEF  A 503 ( 2.6A)
None
BEF  A 503 (-2.7A)
1.12A 5iaoC-5elxA:
3.4
5iaoC-5elxA:
18.78
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.
5IAO_F_URFF301_1
(BIFUNCTIONAL PROTEIN
PYRR)
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae)
3 / 3 ARG A 469
HIS A 462
ARG A 466
BEF  A 602 ( 2.6A)
None
BEF  A 602 (-3.0A)
1.15A 5iaoF-4tz0A:
2.5
5iaoF-4tz0A:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IAO_F_URFF301_1
(BIFUNCTIONAL PROTEIN
PYRR)
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae)
3 / 3 ARG A 429
HIS A 422
ARG A 426
BEF  A 503 ( 2.6A)
None
BEF  A 503 (-2.7A)
1.15A 5iaoF-5elxA:
3.4
5iaoF-5elxA:
18.78
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.
5KQX_A_ROCA101_1
(PROTEASE E35D-SQV)
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima)
5 / 12 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
None
None
None
None
BEF  A 402 (-3.2A)
0.87A 5kqxA-3nnnA:
undetectable
5kqxA-3nnnA:
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.
5KQX_A_ROCA101_1
(PROTEASE E35D-SQV)
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima)
5 / 12 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
None
None
None
None
BEF  A 402 (-3.6A)
0.83A 5kqxA-3nnsA:
undetectable
5kqxA-3nnsA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_1
(METHYLTRANSFERASE)
5dxi TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans)
4 / 4 SER A  65
THR A 138
ASP A 115
ASP A  68
BEF  A 402 ( 2.4A)
TRE  A 403 ( 3.9A)
None
None
1.44A 5vimA-5dxiA:
undetectable
5vimA-5dxiA:
23.67
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.
5VIM_B_SAMB301_1
(METHYLTRANSFERASE)
5dxi TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans)
4 / 4 SER A  65
THR A 138
ASP A 115
ASP A  68
BEF  A 402 ( 2.4A)
TRE  A 403 ( 3.9A)
None
None
1.46A 5vimB-5dxiA:
undetectable
5vimB-5dxiA:
23.67
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.
6AZ3_1_PAR11803_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
EL18)
5yew MITOFUSIN-1,MITOFUSI
N-1 FUSION PROTEIN

(Homo
sapiens)
3 / 3 SER B  89
LYS B  88
SER B  90
MG  B 804 ( 2.1A)
BEF  B 802 ( 2.5A)
GDP  B 801 (-2.5A)
0.83A 6az3P-5yewB:
undetectable
6az3P-5yewB:
18.18
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.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae)
4 / 5 GLY A 436
ASP A 434
ARG A 466
ARG A 463
None
A  B   3 ( 4.5A)
BEF  A 602 (-3.0A)
None
1.33A 6dwdB-4tz0A:
undetectable
6dwdD-4tz0A:
undetectable
6dwdB-4tz0A:
22.00
6dwdD-4tz0A:
22.00
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae)
4 / 5 ARG A 466
ARG A 463
GLY A 436
ASP A 434
BEF  A 602 (-3.0A)
None
None
A  B   3 ( 4.5A)
1.34A 6dwjB-4tz0A:
undetectable
6dwjD-4tz0A:
undetectable
6dwjB-4tz0A:
22.00
6dwjD-4tz0A:
22.00
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.
6EW0_F_TA1F502_2
(TUBULIN BETA CHAIN)
3w9s OMPR FAMILY RESPONSE
REGULATOR IN
TWO-COMPONENT
REGULATORY SYSTEM
WITH BASS

(Klebsiella
pneumoniae)
4 / 5 LEU A 108
LEU A  12
THR A  79
PRO A  55
None
None
BEF  A 201 (-3.7A)
None
1.01A 6ew0F-3w9sA:
undetectable
6ew0F-3w9sA:
19.08
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.
6EW0_G_TA1G501_2
(TUBULIN BETA CHAIN)
3w9s OMPR FAMILY RESPONSE
REGULATOR IN
TWO-COMPONENT
REGULATORY SYSTEM
WITH BASS

(Klebsiella
pneumoniae)
4 / 6 LEU A 108
LEU A  12
THR A  79
PRO A  55
None
None
BEF  A 201 (-3.7A)
None
1.01A 6ew0G-3w9sA:
undetectable
6ew0G-3w9sA:
19.08