SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'C2E'


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.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
4zmm DIGUANYLATE CYCLASE
(Pseudomonas
aeruginosa)
5 / 12 ALA A 323
LEU A 276
ILE A 283
ARG A 282
LEU A 250
None
None
None
C2E  A 500 ( 3.0A)
C2E  A 500 (-4.4A)
1.16A 1dreA-4zmmA:
undetectable
1dreA-4zmmA:
21.15
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.
1E7B_A_HLTA4003_1
(SERUM ALBUMIN)
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
5 / 9 ILE A 612
VAL A 649
GLY A 648
ALA A 646
LEU A 658
None
None
C2E  A 701 (-3.6A)
None
None
1.06A 1e7bA-5m1tA:
undetectable
1e7bA-5m1tA:
19.46
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.
1FBM_B_RTLB951_0
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))
5htl MSHA BIOGENESIS
PROTEIN MSHE

(Vibrio
cholerae)
4 / 4 THR A  42
LEU A  39
LEU A  13
GLN A  60
None
C2E  A 201 (-4.3A)
None
None
1.26A 1fbmA-5htlA:
undetectable
1fbmA-5htlA:
16.55
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.
1GX9_A_REAA1163_1
(BETA-LACTOGLOBULIN)
4zmm DIGUANYLATE CYCLASE
(Pseudomonas
aeruginosa)
5 / 11 LEU A 250
VAL A 268
ILE A 215
GLU A 275
PHE A 195
C2E  A 500 (-4.4A)
C2E  A 500 (-4.1A)
None
C2E  A 500 (-3.7A)
None
1.41A 1gx9A-4zmmA:
undetectable
1gx9A-4zmmA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK2_A_T44A3002_1
(SERUM ALBUMIN)
3pju CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens)
4 / 8 GLN A 536
ASN A 499
LEU A 500
LEU A 448
None
C2E  A2256 (-3.2A)
None
C2E  A2256 (-3.8A)
1.18A 1hk2A-3pjuA:
undetectable
1hk2A-3pjuA:
16.43
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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 11 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.93A 1hxwB-5ej1A:
undetectable
1hxwB-5ej1A:
8.43
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.
1I9G_A_SAMA301_1
(HYPOTHETICAL PROTEIN
RV2118C)
5kgo FLAGELLAR BRAKE
PROTEIN YCGR

(Klebsiella
pneumoniae)
3 / 3 GLU D  28
HIS D  69
ASP D 140
None
C2E  D 301 (-3.6A)
C2E  D 302 (-3.7A)
0.73A 1i9gA-5kgoD:
undetectable
1i9gA-5kgoD:
22.70
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.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)
4hjf GGDEF FAMILY PROTEIN
(Caulobacter
vibrioides)
5 / 11 GLY A 522
LEU A 314
GLY A 504
MET A 476
HIS A 512
None
None
C2E  A 603 (-3.4A)
None
None
1.44A 1iolA-4hjfA:
undetectable
1iolA-4hjfA:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KQW_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN)
5euh PUTATIVE GGDEF
DOMAIN MEMBRANE
PROTEIN

(Pseudomonas
fluorescens)
5 / 12 ILE A 438
THR A 345
ARG A 409
VAL A 347
ILE A 376
C2E  A 601 (-4.8A)
None
C2E  A 601 ( 4.0A)
None
None
1.16A 1kqwA-5euhA:
undetectable
1kqwA-5euhA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT6_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)
3qyy RESPONSE REGULATOR
(Xanthomonas
campestris)
5 / 11 LEU A 196
ALA A 254
VAL A 192
MET A 174
LEU A 177
None
None
None
None
C2E  A 487 (-4.1A)
1.42A 1kt6A-3qyyA:
undetectable
1kt6A-3qyyA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT7_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)
3qyy RESPONSE REGULATOR
(Xanthomonas
campestris)
5 / 11 LEU A 196
ALA A 254
VAL A 192
MET A 174
LEU A 177
None
None
None
None
C2E  A 487 (-4.1A)
1.39A 1kt7A-3qyyA:
undetectable
1kt7A-3qyyA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides)
5 / 12 ASP A 344
LEU A 297
GLY A 343
ASN A 335
THR A 295
C2E  A 501 (-3.7A)
None
C2E  A 501 (-3.7A)
C2E  A 501 (-3.1A)
None
1.08A 1likA-1w25A:
2.0
1likA-1w25A:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)
3tvk DIGUANYLATE CYCLASE
DGCZ

(Escherichia
coli)
5 / 12 ASP A 182
LEU A 137
GLY A 181
ASN A 173
THR A 135
C2E  A 501 (-3.6A)
None
C2E  A 501 (-3.4A)
C2E  A 501 (-3.1A)
None
1.15A 1likA-3tvkA:
undetectable
1likA-3tvkA:
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.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
5 / 12 GLY A 501
GLN A 533
VAL A 498
LEU A 488
LEU A 441
None
C2E  A 701 (-3.4A)
None
C2E  A 701 (-4.6A)
None
1.38A 1nhzA-5m1tA:
undetectable
1nhzA-5m1tA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O86_A_LPRA702_2
(ANGIOTENSIN
CONVERTING ENZYME)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
4 / 4 SER A 611
VAL A 607
PHE A 690
VAL A 158
C2E  A 919 (-3.5A)
None
None
None
1.21A 1o86A-5ej1A:
3.9
1o86A-5ej1A:
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
3 / 3 ARG B  53
ARG B  43
ILE B  58
C2E  B 304 (-3.7A)
C2E  B 304 (-2.6A)
C2E  B 304 ( 4.1A)
0.75A 1uobA-5mkgB:
undetectable
1uobA-5mkgB:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)
3i5a RESPONSE
REGULATOR/GGDEF
DOMAIN PROTEIN

(Pseudomonas
syringae
group
genomosp.
3)
5 / 11 ALA A 233
LEU A 257
LEU A 204
SER A 275
LEU A 272
None
C2E  A 335 ( 3.6A)
None
None
None
0.97A 2ceoA-3i5aA:
undetectable
2ceoA-3i5aA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)
3i5a RESPONSE
REGULATOR/GGDEF
DOMAIN PROTEIN

(Pseudomonas
syringae
group
genomosp.
3)
5 / 10 ALA A 233
LEU A 257
LEU A 204
SER A 275
LEU A 272
None
C2E  A 335 ( 3.6A)
None
None
None
0.98A 2ceoB-3i5aA:
undetectable
2ceoB-3i5aA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)
3qyy RESPONSE REGULATOR
(Xanthomonas
campestris)
4 / 8 ARG A 146
GLY A 214
ARG A 212
THR A 141
None
None
C2E  A 487 (-3.1A)
None
0.92A 2f9wA-3qyyA:
undetectable
2f9wB-3qyyA:
undetectable
2f9wA-3qyyA:
22.66
2f9wB-3qyyA:
22.66
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.
2IEO_A_017A402_1
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.81A 2ieoA-5ej1A:
undetectable
2ieoA-5ej1A:
9.02
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.
2NNK_A_ROCA401_3
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 12 GLY A 676
GLY A 655
ILE A 672
VAL A 685
VAL A 681
None
None
C2E  A 919 (-3.5A)
None
None
0.89A 2nnkB-5ej1A:
undetectable
2nnkB-5ej1A:
9.02
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.
2QD2_A_CHDA2_0
(FERROCHELATASE)
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides)
4 / 8 MET A 376
LEU A 324
ARG A 386
PRO A 320
C2E  A 503 ( 4.8A)
None
None
None
1.15A 2qd2A-1w25A:
4.2
2qd2A-1w25A:
21.59
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.
2QHF_A_ACTA509_0
(CHORISMATE SYNTHASE)
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
3 / 3 ARG A 473
GLN A 455
PRO A 674
C2E  A 701 (-2.4A)
C2E  A 701 (-3.0A)
C2E  A 701 (-4.7A)
1.01A 2qhfA-5m1tA:
undetectable
2qhfA-5m1tA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 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_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5exx TRANSCRIPTIONAL
REGULATOR FLEQ

(Pseudomonas
aeruginosa)
3 / 3 ARG A 185
GLU A 181
SER A 333
None
None
C2E  A 502 (-2.4A)
0.92A 2xctD-5exxA:
undetectable
2xctD-5exxA:
20.41
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.
2Z0Y_B_SAMB400_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)
5y6f FLAGELLAR BRAKE
PROTEIN YCGR

(Escherichia
coli)
5 / 9 ALA A 153
GLY A 150
LEU A 209
ILE A 189
LEU A 188
None
C2E  A 302 (-2.7A)
None
C2E  A 303 ( 4.1A)
None
0.95A 2z0yB-5y6fA:
undetectable
2z0yB-5y6fA:
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.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)
2l74 PUTATIVE
UNCHARACTERIZED
PROTEIN PA4608

(Pseudomonas
aeruginosa)
5 / 11 VAL A  43
LEU A  83
GLY A  84
SER A  74
PRO A  56
None
None
C2E  A 501 ( 3.7A)
None
None
1.25A 3bjwB-2l74A:
undetectable
3bjwB-2l74A:
15.65
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.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)
5xly CYCLIC DIGUANOSINE
MONOPHOSPHATE-BINDIN
G PROTEIN PA4608

(Pseudomonas
aeruginosa)
5 / 11 VAL B  43
LEU B  83
GLY B  84
SER B  74
PRO B  56
None
None
C2E  B 202 ( 4.2A)
None
None
1.30A 3bjwB-5xlyB:
undetectable
3bjwB-5xlyB:
15.94
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.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)
2l74 PUTATIVE
UNCHARACTERIZED
PROTEIN PA4608

(Pseudomonas
aeruginosa)
5 / 11 VAL A  43
LEU A  83
GLY A  84
SER A  74
PRO A  56
None
None
C2E  A 501 ( 3.7A)
None
None
1.30A 3bjwE-2l74A:
undetectable
3bjwE-2l74A:
15.65
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.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)
5xly CYCLIC DIGUANOSINE
MONOPHOSPHATE-BINDIN
G PROTEIN PA4608

(Pseudomonas
aeruginosa)
5 / 11 VAL B  43
LEU B  83
GLY B  84
SER B  74
PRO B  56
None
None
C2E  B 202 ( 4.2A)
None
None
1.36A 3bjwE-5xlyB:
undetectable
3bjwE-5xlyB:
15.94
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)
2l74 PUTATIVE
UNCHARACTERIZED
PROTEIN PA4608

(Pseudomonas
aeruginosa)
5 / 11 VAL A  43
LEU A  83
GLY A  84
SER A  74
PRO A  56
None
None
C2E  A 501 ( 3.7A)
None
None
1.26A 3bjwH-2l74A:
undetectable
3bjwH-2l74A:
15.65
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)
5xly CYCLIC DIGUANOSINE
MONOPHOSPHATE-BINDIN
G PROTEIN PA4608

(Pseudomonas
aeruginosa)
5 / 11 VAL B  43
LEU B  83
GLY B  84
SER B  74
PRO B  56
None
None
C2E  B 202 ( 4.2A)
None
None
1.32A 3bjwH-5xlyB:
undetectable
3bjwH-5xlyB:
15.94
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.
3EKP_C_478C200_2
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.83A 3ekpD-5ej1A:
undetectable
3ekpD-5ej1A:
9.05
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.
3EKT_B_017B200_1
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.86A 3ektA-5ej1A:
undetectable
3ektA-5ej1A:
9.05
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.
3EKT_D_017D200_1
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 11 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.88A 3ektC-5ej1A:
undetectable
3ektC-5ej1A:
9.05
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.
3EKV_A_478A200_1
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.78A 3ekvA-5ej1A:
undetectable
3ekvA-5ej1A:
9.05
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.
3H52_B_486B1_2
(GLUCOCORTICOID
RECEPTOR)
5kgo FLAGELLAR BRAKE
PROTEIN YCGR

(Klebsiella
pneumoniae)
5 / 12 GLY D  73
GLN D 107
VAL D 105
ARG D 110
ILE D  18
C2E  D 301 (-3.3A)
C2E  D 301 ( 4.1A)
None
None
None
1.14A 3h52B-5kgoD:
undetectable
3h52B-5kgoD:
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.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides)
4 / 7 MET A 376
LEU A 324
ARG A 386
PRO A 320
C2E  A 503 ( 4.8A)
None
None
None
1.11A 3hcnA-1w25A:
3.4
3hcnA-1w25A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_B_CE3B302_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 CYH A 169
PRO A 199
ASP A 215
None
C2E  A 501 (-4.3A)
C2E  A 501 (-3.2A)
0.95A 3hlwB-3gg0A:
undetectable
3hlwB-3gg0A:
20.42
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
4 / 8 SER A 564
ASP A 590
LEU A 488
PRO A 489
None
MG  A 702 (-2.6A)
C2E  A 701 (-4.6A)
None
1.21A 3jq7B-5m1tA:
undetectable
3jq7B-5m1tA:
26.73
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.
3JW5_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)
5euh PUTATIVE GGDEF
DOMAIN MEMBRANE
PROTEIN

(Pseudomonas
fluorescens)
5 / 10 ALA A 401
VAL A 415
ILE A 438
LEU A 427
THR A 345
None
None
C2E  A 601 (-4.8A)
C2E  A 601 ( 4.4A)
None
1.11A 3jw5B-5euhA:
undetectable
3jw5B-5euhA:
19.46
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)
4f48 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
campestris)
3 / 3 PHE A  42
TYR A  39
LEU A  45
C2E  A 501 (-3.6A)
None
None
0.70A 3keeB-4f48A:
undetectable
3keeB-4f48A:
22.78
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.
3NU3_B_478B401_2
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 11 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.78A 3nu3B-5ej1A:
undetectable
3nu3B-5ej1A:
8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUJ_B_478B401_2
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.79A 3nujB-5ej1A:
undetectable
3nujB-5ej1A:
8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUO_B_478B478_2
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.75A 3nuoB-5ej1A:
undetectable
3nuoB-5ej1A:
8.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OY4_B_017B200_2
(HIV-1 PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.95A 3oy4B-5ej1A:
undetectable
3oy4B-5ej1A:
9.20
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.
3QX3_A_EVPA1_1
(DNA TOPOISOMERASE
2-BETA)
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
4 / 5 GLY B  30
ARG B 225
GLN B  25
MET B 245
None
None
C2E  B 304 (-2.9A)
None
1.21A 3qx3A-5mkgB:
undetectable
3qx3A-5mkgB:
14.65
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.
3QX3_D_EVPD1_1
(DNA TOPOISOMERASE
2-BETA)
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
4 / 5 GLY B  30
ARG B 225
GLN B  25
MET B 245
None
None
C2E  B 304 (-2.9A)
None
1.16A 3qx3B-5mkgB:
undetectable
3qx3B-5mkgB:
14.65
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.
3SUE_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)
4f48 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
campestris)
3 / 3 PHE A  42
TYR A  39
LEU A  45
C2E  A 501 (-3.6A)
None
None
0.79A 3sueB-4f48A:
undetectable
3sueB-4f48A:
23.35
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.
3W1W_A_CHDA1507_0
(FERROCHELATASE,
MITOCHONDRIAL)
5kgo FLAGELLAR BRAKE
PROTEIN YCGR

(Klebsiella
pneumoniae)
3 / 3 ARG D 108
LYS D   5
ARG D 110
C2E  D 302 ( 2.9A)
None
None
1.37A 3w1wA-5kgoD:
undetectable
3w1wB-5kgoD:
undetectable
3w1wA-5kgoD:
18.53
3w1wB-5kgoD:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 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_B_CHDB506_0
(FERROCHELATASE,
MITOCHONDRIAL)
5kgo FLAGELLAR BRAKE
PROTEIN YCGR

(Klebsiella
pneumoniae)
3 / 3 ARG D 110
ARG D 108
LYS D   5
None
C2E  D 302 ( 2.9A)
None
1.44A 3w1wA-5kgoD:
undetectable
3w1wB-5kgoD:
undetectable
3w1wA-5kgoD:
18.53
3w1wB-5kgoD:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
5 / 12 ILE B  67
LEU B 136
SER B 139
LEU B 146
PHE B 175
C2E  B 304 ( 4.9A)
None
None
None
None
1.18A 3w67C-5mkgB:
undetectable
3w67C-5mkgB:
23.99
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.
4AC9_B_DXCB1473_0
(MJ0495-LIKE PROTEIN)
4rnh MOTILITY REGULATOR
(Pseudomonas
aeruginosa)
5 / 11 ILE A1266
ILE A1263
GLY A1260
VAL A1247
GLN A1253
None
None
None
None
C2E  A1503 (-4.0A)
1.08A 4ac9B-4rnhA:
2.8
4ac9C-4rnhA:
3.1
4ac9B-4rnhA:
22.67
4ac9C-4rnhA:
22.67
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)
4hjf GGDEF FAMILY PROTEIN
(Caulobacter
vibrioides)
5 / 12 LEU A 325
ARG A 470
GLU A 323
ALA A 528
ASP A 446
C2E  A 603 (-3.5A)
C2E  A 603 (-4.1A)
CA  A 601 ( 2.7A)
None
CA  A 602 (-2.7A)
1.14A 4aqlA-4hjfA:
7.0
4aqlA-4hjfA:
24.17
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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.90A 4dqbB-5ej1A:
undetectable
4dqbB-5ej1A:
9.05
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.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.87A 4dqcB-5ej1A:
undetectable
4dqcB-5ej1A:
9.35
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.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.93A 4dqeB-5ej1A:
undetectable
4dqeB-5ej1A:
9.35
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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.94A 4dqhB-5ej1A:
undetectable
4dqhB-5ej1A:
8.90
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.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
4 / 7 ASP B 160
ASP B  55
GLU B 135
GLU B 217
CA  B 302 (-2.5A)
C2E  B 304 (-3.8A)
CA  B 301 (-3.1A)
CA  B 303 (-2.4A)
1.12A 4fexB-5mkgB:
undetectable
4fexB-5mkgB:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides)
4 / 5 MET A 376
LEU A 324
ARG A 386
PRO A 320
C2E  A 503 ( 4.8A)
None
None
None
1.09A 4kmmB-1w25A:
3.4
4kmmB-1w25A:
21.14
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.
4LL3_A_017A201_2
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.84A 4ll3B-5ej1A:
undetectable
4ll3B-5ej1A:
8.43
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.
4LL3_A_017A202_1
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.85A 4ll3A-5ej1A:
undetectable
4ll3A-5ej1A:
8.43
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.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)
4rnh MOTILITY REGULATOR
(Pseudomonas
aeruginosa)
5 / 12 LEU A1297
LEU A1300
ILE A1307
ASN A1248
LEU A1286
None
None
None
C2E  A1503 ( 2.8A)
None
0.96A 4lmnA-4rnhA:
undetectable
4lmnA-4rnhA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 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_B_017B101_2
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.94A 4njtB-5ej1A:
undetectable
4njtB-5ej1A:
9.32
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
4 / 5 ILE A 672
ARG A 580
ASP A 609
VAL A 653
C2E  A 919 (-3.5A)
C2E  A 920 ( 3.7A)
C2E  A 919 (-3.2A)
None
0.91A 4nkxC-5ej1A:
undetectable
4nkxC-5ej1A:
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.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
4 / 5 ILE A 672
ARG A 580
ASP A 609
VAL A 653
C2E  A 919 (-3.5A)
C2E  A 920 ( 3.7A)
C2E  A 919 (-3.2A)
None
0.88A 4nkxD-5ej1A:
undetectable
4nkxD-5ej1A:
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.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 CYH A 169
PRO A 199
ASP A 215
None
C2E  A 501 (-4.3A)
C2E  A 501 (-3.2A)
0.99A 4pm5A-3gg0A:
undetectable
4pm5A-3gg0A:
20.19
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.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4zmm DIGUANYLATE CYCLASE
(Pseudomonas
aeruginosa)
5 / 12 ALA A 323
LEU A 276
ILE A 283
ARG A 282
LEU A 250
None
None
None
C2E  A 500 ( 3.0A)
C2E  A 500 (-4.4A)
1.15A 4qlgA-4zmmA:
undetectable
4qlgA-4zmmA:
20.70
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.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.75A 4rvjB-5ej1A:
undetectable
4rvjB-5ej1A:
9.32
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.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.76A 4rvjD-5ej1A:
undetectable
4rvjD-5ej1A:
9.32
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.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
4zmm DIGUANYLATE CYCLASE
(Pseudomonas
aeruginosa)
5 / 12 ALA A 323
LEU A 276
ILE A 283
ARG A 282
LEU A 250
None
None
None
C2E  A 500 ( 3.0A)
C2E  A 500 (-4.4A)
1.14A 4x5fB-4zmmA:
undetectable
4x5fB-4zmmA:
20.70
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.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
4zmm DIGUANYLATE CYCLASE
(Pseudomonas
aeruginosa)
5 / 12 ALA A 323
LEU A 276
ILE A 283
ARG A 282
LEU A 250
None
None
None
C2E  A 500 ( 3.0A)
C2E  A 500 (-4.4A)
1.15A 4x5gA-4zmmA:
undetectable
4x5gA-4zmmA:
20.70
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.
5C0O_G_SAMG301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)
5kgo FLAGELLAR BRAKE
PROTEIN YCGR

(Klebsiella
pneumoniae)
3 / 3 GLU D  28
HIS D  69
ASP D 140
None
C2E  D 301 (-3.6A)
C2E  D 302 (-3.7A)
0.68A 5c0oG-5kgoD:
undetectable
5c0oG-5kgoD:
21.17
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)
4rnh MOTILITY REGULATOR
(Pseudomonas
aeruginosa)
5 / 11 GLU A1189
GLN A1177
GLU A1367
GLY A1388
GLY A1368
MG  A1501 ( 2.9A)
None
C2E  A1503 (-3.3A)
C2E  A1503 (-3.3A)
C2E  A1503 (-3.4A)
1.28A 5e3iB-4rnhA:
undetectable
5e3iB-4rnhA:
24.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
4zmm DIGUANYLATE CYCLASE
(Pseudomonas
aeruginosa)
5 / 12 ALA A 323
LEU A 276
ILE A 283
ARG A 282
LEU A 250
None
None
None
C2E  A 500 ( 3.0A)
C2E  A 500 (-4.4A)
1.16A 5hi6A-4zmmA:
undetectable
5hi6A-4zmmA:
22.81
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.
5KR0_A_478A101_2
(PROTEASE E35D-APV)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.83A 5kr0B-5ej1A:
undetectable
5kr0B-5ej1A:
9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGM_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.65A 5qgmA-3gg0A:
undetectable
5qgmA-3gg0A:
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.
5QGV_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.71A 5qgvA-3gg0A:
undetectable
5qgvA-3gg0A:
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.
5QGW_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.71A 5qgwA-3gg0A:
undetectable
5qgwA-3gg0A:
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.
5QGX_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.72A 5qgxA-3gg0A:
undetectable
5qgxA-3gg0A:
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.
5QH1_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.71A 5qh1A-3gg0A:
undetectable
5qh1A-3gg0A:
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.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.67A 5qh5A-3gg0A:
undetectable
5qh5A-3gg0A:
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.
5QH6_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.67A 5qh6A-3gg0A:
undetectable
5qh6A-3gg0A:
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.
5QH9_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.69A 5qh9A-3gg0A:
undetectable
5qh9A-3gg0A:
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.
5QHF_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.68A 5qhfA-3gg0A:
undetectable
5qhfA-3gg0A:
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.
5QHG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae)
3 / 3 VAL A 184
VAL A 177
GLN A 174
None
None
C2E  A 501 (-3.0A)
0.71A 5qhgA-3gg0A:
undetectable
5qhgA-3gg0A:
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
3 / 3 ARG A 579
ARG A 584
ARG A 658
C2E  A 919 ( 3.1A)
C2E  A 920 ( 3.3A)
C2E  A 919 ( 4.5A)
0.95A 5vcgA-5ej1A:
undetectable
5vcgA-5ej1A:
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.
6D8P_A_ACTA816_0
(UNCHARACTERIZED
PROTEIN)
5xt3 PHOSPHODIESTERASE
ACTING ON CYCLIC
DINUCLEOTIDES

(Staphylococcus
aureus)
3 / 3 ARG A 499
ARG A 602
ASP A 575
None
C2E  A 703 (-3.0A)
C2E  A 703 (-3.5A)
0.86A 6d8pA-5xt3A:
undetectable
6d8pA-5xt3A:
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.
6DH0_A_017A101_1
(PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 12 GLY A 676
GLY A 655
ILE A 672
VAL A 685
VAL A 681
None
None
C2E  A 919 (-3.5A)
None
None
0.86A 6dh0B-5ej1A:
undetectable
6dh0B-5ej1A:
7.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A 688
GLY A 614
VAL A 681
GLY A 655
ILE A 637
None
C2E  A 919 (-3.4A)
None
None
None
0.88A 6difB-5ej1A:
undetectable
6difB-5ej1A:
7.14
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3n3t PUTATIVE DIGUANYLATE
CYCLASE/PHOSPHODIEST
ERASE

(Thiobacillus
denitrificans)
4 / 6 LEU A 613
ASP A 646
GLN A 670
GLU A 616
None
MG  A 802 (-2.7A)
C2E  A 801 (-3.3A)
MG  A 802 (-3.2A)
1.37A 6djzC-3n3tA:
undetectable
6djzC-3n3tA:
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
4 / 6 LEU B 127
ASP B 160
GLN B 184
GLU B 130
None
CA  B 302 (-2.5A)
C2E  B 304 (-3.1A)
CA  B 302 (-3.3A)
1.38A 6djzC-5mkgB:
undetectable
6djzC-5mkgB:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 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_ACTA819_0
(GEPHYRIN)
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides)
3 / 3 ARG A 366
GLY A 369
GLU A 370
C2E  A 501 ( 4.1A)
C2E  A 501 (-3.3A)
C2E  A 501 (-4.7A)
0.38A 6fgdA-1w25A:
4.1
6fgdA-1w25A:
23.75
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.
6FGD_A_ACTA819_0
(GEPHYRIN)
3tvk DIGUANYLATE CYCLASE
DGCZ

(Escherichia
coli)
3 / 3 ARG A 204
GLY A 207
GLU A 208
C2E  A 501 (-3.7A)
C2E  A 501 (-3.4A)
C2E  A 501 (-4.0A)
0.48A 6fgdA-3tvkA:
undetectable
6fgdA-3tvkA:
18.14
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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides)
4 / 6 MET A 376
ALA A 382
LEU A 381
ALA A 419
C2E  A 503 ( 4.8A)
None
None
None
1.06A 6fosB-1w25A:
undetectable
6fosB-1w25A:
10.15
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
4 / 7 LEU B  41
ASP B  55
ARG B  43
GLN B 184
C2E  B 304 ( 3.5A)
C2E  B 304 (-3.8A)
C2E  B 304 (-2.6A)
C2E  B 304 (-3.1A)
1.14A 6g31D-5mkgB:
undetectable
6g31D-5mkgB:
17.73
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
4 / 6 LEU B  41
ASP B  55
ARG B  43
GLN B 184
C2E  B 304 ( 3.5A)
C2E  B 304 (-3.8A)
C2E  B 304 (-2.6A)
C2E  B 304 (-3.1A)
1.22A 6g31J-5mkgB:
undetectable
6g31J-5mkgB:
17.73