SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2d3t'

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.
1BRP_A_RTLA183_0
(RETINOL BINDING
PROTEIN)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU A 300
MET A 656
GLY A 661
PHE A 453
LEU A 293
None
1.35A 1brpA-2d3tA:
undetectable
1brpA-2d3tA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BRP_A_RTLA183_0
(RETINOL BINDING
PROTEIN)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU A 300
MET A 656
GLY A 661
PHE A 453
TYR A 660
None
1.35A 1brpA-2d3tA:
undetectable
1brpA-2d3tA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_C_CUC1_0
(BETA-CARBONIC
ANHYDRASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 6 CYH A 289
SER A 285
SER A 677
ARG A 668
None
0.90A 1ekjC-2d3tA:
1.6
1ekjD-2d3tA:
1.7
1ekjC-2d3tA:
14.85
1ekjD-2d3tA:
14.85
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.
1EKJ_C_CUC1_0
(BETA-CARBONIC
ANHYDRASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 6 SER A 677
ARG A 668
CYH A 289
SER A 285
None
0.91A 1ekjC-2d3tA:
1.6
1ekjD-2d3tA:
1.7
1ekjC-2d3tA:
14.85
1ekjD-2d3tA:
14.85
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.
1EKJ_E_CUE3_0
(BETA-CARBONIC
ANHYDRASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 6 CYH A 289
SER A 285
SER A 677
ARG A 668
None
0.99A 1ekjE-2d3tA:
1.7
1ekjF-2d3tA:
0.0
1ekjE-2d3tA:
14.85
1ekjF-2d3tA:
14.85
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.
1EKJ_E_CUE3_0
(BETA-CARBONIC
ANHYDRASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 6 SER A 677
ARG A 668
CYH A 289
SER A 285
None
0.98A 1ekjE-2d3tA:
1.7
1ekjF-2d3tA:
0.0
1ekjE-2d3tA:
14.85
1ekjF-2d3tA:
14.85
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 7 PHE A 452
SER A 333
ALA A 330
ILE A 340
None
1.01A 1fxhA-2d3tA:
undetectable
1fxhB-2d3tA:
undetectable
1fxhA-2d3tA:
15.02
1fxhB-2d3tA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 GLU A 577
ASP A 554
ALA A 512
PHE A 505
LEU A 504
None
1.12A 1nw3A-2d3tA:
5.4
1nw3A-2d3tA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT
3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi;
Pseudomonas
fragi)
5 / 11 LEU A 123
GLY A 137
GLY A 116
ILE A 168
LEU C 142
None
0.85A 1p91A-2d3tA:
4.5
1p91A-2d3tA:
15.60
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 10 LEU A  20
ALA A  43
VAL A  56
LEU A 102
PHE A  22
None
1.32A 1rlbE-2d3tA:
undetectable
1rlbE-2d3tA:
13.96
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.
1SGU_B_MK1B2632_1
(POL POLYPROTEIN)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 8 ALA A  69
ILE A  66
GLY A 118
GLY A 116
ALA A  92
None
1.29A 1sguA-2d3tA:
undetectable
1sguA-2d3tA:
8.25
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.
1XIU_B_9CRB202_1
(RXR-LIKE PROTEIN)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 ALA A 685
ALA A 687
GLN A 689
CYH A 636
LEU A 637
None
1.03A 1xiuB-2d3tA:
undetectable
1xiuB-2d3tA:
16.74
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.
2AVD_A_SAMA501_0
(CATECHOL-O-METHYLTRA
NSFERASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 MET A 631
MET A 632
TYR A 507
ALA A 687
ASP A 688
None
1.39A 2avdA-2d3tA:
6.1
2avdA-2d3tA:
14.61
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.
2B60_B_RITB100_2
(GAG-POL POLYPROTEIN)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 11 ARG C  30
GLY C 248
ALA C 249
ILE C  39
GLY C  60
None
0.86A 2b60B-2d3tC:
undetectable
2b60B-2d3tC:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 7 VAL C 387
THR C 386
ARG C 298
LYS C 297
None
0.98A 2kotA-2d3tC:
0.0
2kotA-2d3tC:
15.61
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.
2NNH_B_9CRB501_1
(CYTOCHROME P450 2C8)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 9 GLY C  60
SER C  98
ILE C  39
VAL C  57
VAL C 116
None
1.16A 2nnhB-2d3tC:
undetectable
2nnhB-2d3tC:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 5 VAL A 479
THR A 478
VAL A 448
GLY A 449
None
0.96A 2p2fA-2d3tA:
undetectable
2p2fA-2d3tA:
21.73
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.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 4 VAL A 479
THR A 478
VAL A 448
GLY A 449
None
0.96A 2p2fB-2d3tA:
3.8
2p2fB-2d3tA:
21.73
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLY C 341
GLY C 340
ASN C 337
PHE C 189
GLN C 366
None
1.05A 2pkkA-2d3tC:
undetectable
2pkkA-2d3tC:
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.
2QEB_A_HSMA145_1
(D7R4 PROTEIN)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 7 TYR A 590
TYR A 592
ASP A 525
GLU A 529
None
1.14A 2qebA-2d3tA:
undetectable
2qebA-2d3tA:
10.99
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.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 5 ILE A 678
PHE A 664
VAL A 492
PHE A 714
None
1.22A 2ygnA-2d3tA:
undetectable
2ygnA-2d3tA:
11.68
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.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 PRO A 384
ALA A 317
THR A 338
LEU A 379
VAL A 378
None
1.17A 2zifB-2d3tA:
undetectable
2zifB-2d3tA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 4 SER C  21
GLY C 126
GLY C  19
GLY C 248
None
0.76A 3bogB-2d3tC:
undetectable
3bogD-2d3tC:
undetectable
3bogB-2d3tC:
undetectable
3bogD-2d3tC:
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.
3DZU_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 ALA A 440
ILE A 434
PHE A 447
LEU A 441
VAL A 401
None
None
None
None
NAD  A1001 (-3.9A)
1.07A 3dzuA-2d3tA:
undetectable
3dzuA-2d3tA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FBX_A_ACTA608_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
3 / 3 GLU A 638
VAL A 640
CYH A 642
None
0.80A 3fbxA-2d3tA:
0.0
3fbxA-2d3tA:
20.50
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.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
3 / 3 ASN A 501
MET A 631
PHE A 508
None
1.13A 3g4lD-2d3tA:
undetectable
3g4lD-2d3tA:
20.94
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.
3GN8_A_DEXA247_1
(GLUCOCORTICOID
RECEPTOR 2)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU A 360
GLY A 363
GLN A 332
MET A 458
VAL A 378
None
1.24A 3gn8A-2d3tA:
undetectable
3gn8A-2d3tA:
16.27
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 7 TYR A 507
GLU A 529
TRP A 533
LEU A 635
None
1.41A 3k8mA-2d3tA:
2.0
3k8mA-2d3tA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R6W_A_NFZA213_1
(FMN-DEPENDENT
NADH-AZOREDUCTASE 1)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 10 ASN A  77
PHE A  78
GLY A 148
PHE A 278
PHE A  74
None
1.14A 3r6wA-2d3tA:
1.1
3r6wB-2d3tA:
3.2
3r6wA-2d3tA:
14.81
3r6wB-2d3tA:
14.81
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 ILE A 145
GLY A 148
GLU A 274
THR A 152
GLU A 120
None
0.88A 3r75A-2d3tA:
3.2
3r75A-2d3tA:
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.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 ILE A 145
GLY A 148
GLU A 274
THR A 152
GLU A 120
None
0.91A 3r75B-2d3tA:
3.3
3r75B-2d3tA:
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.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 11 ILE A 145
GLY A 148
GLU A 274
THR A 152
GLU A 120
None
0.88A 3r76A-2d3tA:
3.1
3r76A-2d3tA:
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.
3R76_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 11 ILE A 145
GLY A 148
GLU A 274
THR A 152
GLU A 120
None
0.87A 3r76B-2d3tA:
3.2
3r76B-2d3tA:
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.
3RGF_A_BAXA465_2
(CYCLIN-DEPENDENT
KINASE 8)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 7 LYS A 484
LEU A 425
VAL A 419
ASP A 395
None
0.91A 3rgfA-2d3tA:
undetectable
3rgfA-2d3tA:
19.00
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.
3SEL_X_DXCX75_0
(CYTOCHROME C7)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 8 ILE A  95
LEU A  40
PHE A  32
GLY A 118
None
0.87A 3selX-2d3tA:
undetectable
3selX-2d3tA:
6.81
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.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 5 LEU A 123
LEU A 138
GLY A 137
GLY A 116
None
0.80A 3si7C-2d3tA:
undetectable
3si7D-2d3tA:
undetectable
3si7C-2d3tA:
19.27
3si7D-2d3tA:
19.27
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLY C 346
LEU C 345
GLN C 244
ALA C 173
SER C 176
None
0.96A 3tbgB-2d3tC:
undetectable
3tbgB-2d3tC:
23.72
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.
3TM4_A_SAMA401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 ALA C 277
GLY C 381
ALA C 314
PRO C 288
LEU C 311
None
None
ACO  C1003 (-3.4A)
None
None
1.33A 3tm4A-2d3tC:
undetectable
3tm4A-2d3tC:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_B_SAMB401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 ALA C 277
GLY C 381
ALA C 314
PRO C 288
LEU C 311
None
None
ACO  C1003 (-3.4A)
None
None
1.30A 3tm4B-2d3tC:
undetectable
3tm4B-2d3tC:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFN_A_ROCA401_2
(HIV-1 PROTEASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 7 VAL C 279
GLY C 383
ILE C 384
VAL C 322
None
0.75A 3ufnB-2d3tC:
undetectable
3ufnB-2d3tC:
13.81
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.
3UJ7_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
3 / 3 SER A  97
ASP A 126
ASP A 211
None
0.84A 3uj7A-2d3tA:
5.8
3uj7A-2d3tA:
17.72
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.
3UT5_D_LOCD502_1
(TUBULIN BETA CHAIN)
2d3t 3-KETOACYL-COA
THIOLASE
FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU C 142
LEU A 223
ASN A 264
ALA A 233
ILE A 259
None
1.10A 3ut5D-2d3tC:
undetectable
3ut5D-2d3tC:
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.
3WZD_A_LEVA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 5 ILE A 627
VAL A 515
LEU A 612
ASP A 520
None
1.15A 3wzdA-2d3tA:
undetectable
3wzdA-2d3tA:
18.77
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.
3ZQT_A_30ZA1920_1
(ANDROGEN RECEPTOR)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 6 PRO A 496
GLY A 497
ASN A 501
GLU A 558
None
1.01A 3zqtA-2d3tA:
undetectable
3zqtA-2d3tA:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 6 GLY C  69
ILE C  72
GLN C  64
VAL C 128
None
1.09A 4d39B-2d3tC:
undetectable
4d39B-2d3tC:
20.76
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.
4FGZ_A_CQAA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 8 GLY C 126
GLU C  67
VAL C 122
GLU C 123
None
0.90A 4fgzA-2d3tC:
undetectable
4fgzA-2d3tC:
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 11 GLN C 382
ALA C 277
ALA C 275
VAL C 387
LEU C 373
None
1.11A 4j6cA-2d3tC:
undetectable
4j6cA-2d3tC:
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.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 10 GLN C 382
ALA C 277
ALA C 275
VAL C 387
LEU C 373
None
1.11A 4j6cB-2d3tC:
undetectable
4j6cB-2d3tC:
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.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLN C 382
ALA C 277
ALA C 275
VAL C 387
LEU C 373
None
1.05A 4j6dA-2d3tC:
undetectable
4j6dA-2d3tC:
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.
4J6D_B_TESB502_1
(CYTOCHROME P450
MONOOXYGENASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLN C 382
ALA C 277
ALA C 275
VAL C 387
LEU C 373
None
1.05A 4j6dB-2d3tC:
undetectable
4j6dB-2d3tC:
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.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLN C 382
ALA C 277
ALA C 275
VAL C 387
LEU C 373
None
1.08A 4jbtA-2d3tC:
undetectable
4jbtA-2d3tC:
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.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 11 GLN C 382
ALA C 277
ALA C 275
VAL C 387
LEU C 373
None
1.08A 4jbtB-2d3tC:
undetectable
4jbtB-2d3tC:
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.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 8 VAL A 475
TYR A 307
VAL A 448
ILE A 465
None
0.83A 4jq1B-2d3tA:
2.2
4jq1B-2d3tA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 6 GLY C  69
ILE C  72
GLN C  64
VAL C 128
None
1.08A 4kcnA-2d3tC:
undetectable
4kcnA-2d3tC:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 8 GLU C 123
ILE C  72
GLU C  32
LEU C  38
None
0.86A 4mj8A-2d3tC:
undetectable
4mj8A-2d3tC:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLY C  69
GLN C  64
VAL C 128
GLU C 123
SER C  92
None
1.11A 4pd5A-2d3tC:
undetectable
4pd5A-2d3tC:
23.55
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.
4PD9_A_ADNA501_1
(NUPC FAMILY PROTEIN)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLY C  69
GLN C  64
VAL C 128
GLU C 123
SER C  92
None
1.17A 4pd9A-2d3tC:
undetectable
4pd9A-2d3tC:
23.55
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.
4QVQ_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 9 ALA C 385
THR C 292
ALA C 295
ILE C 378
GLY C 287
None
1.09A 4qvqK-2d3tC:
undetectable
4qvqL-2d3tC:
undetectable
4qvqK-2d3tC:
19.31
4qvqL-2d3tC:
21.18
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.
4QVQ_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 9 ALA C 385
THR C 292
ALA C 295
ILE C 378
GLY C 287
None
1.08A 4qvqY-2d3tC:
undetectable
4qvqZ-2d3tC:
undetectable
4qvqY-2d3tC:
19.31
4qvqZ-2d3tC:
21.18
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.
4RYA_A_MTLA501_0
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 GLY A 243
ALA A 245
ALA A 169
VAL A 165
GLN A 244
None
1.27A 4ryaA-2d3tA:
undetectable
4ryaA-2d3tA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RYA_A_MTLA501_0
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 GLY A 246
ALA A 245
ALA A 169
VAL A 165
GLN A 244
None
1.27A 4ryaA-2d3tA:
undetectable
4ryaA-2d3tA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U9U_A_ACTA1502_0
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 5 GLY C 383
ALA C 277
GLY C 287
PRO C 288
None
0.92A 4u9uA-2d3tC:
undetectable
4u9uA-2d3tC:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U9U_B_ACTB1502_0
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 5 GLY C 383
ALA C 277
GLY C 287
PRO C 288
None
0.95A 4u9uB-2d3tC:
undetectable
4u9uB-2d3tC:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLY C 341
GLY C 340
ASN C 337
PHE C 189
GLN C 366
None
1.05A 4ubeA-2d3tC:
undetectable
4ubeA-2d3tC:
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 11 GLY C 346
LEU C 345
GLN C 244
ALA C 173
SER C 176
None
1.11A 4wnuA-2d3tC:
undetectable
4wnuA-2d3tC:
23.72
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 11 GLY C 346
LEU C 345
GLN C 244
ALA C 173
SER C 176
None
1.05A 4wnuC-2d3tC:
undetectable
4wnuC-2d3tC:
23.72
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 10 GLY A 148
GLU A 140
LEU A  85
ALA A 282
ALA A 251
None
1.28A 4wnuD-2d3tA:
undetectable
4wnuD-2d3tA:
21.79
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.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLY C 346
LEU C 345
GLN C 244
ALA C 173
SER C 176
None
0.94A 4wnwB-2d3tC:
undetectable
4wnwB-2d3tC:
23.72
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.
4X1I_D_LOCD502_1
(TUBULIN BETA CHAIN)
2d3t 3-KETOACYL-COA
THIOLASE
FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU C 142
LEU A 223
ASN A 264
ALA A 233
ILE A 259
None
1.06A 4x1iD-2d3tC:
undetectable
4x1iD-2d3tC:
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.
4X1Y_D_LOCD502_2
(TUBULIN BETA CHAIN)
2d3t 3-KETOACYL-COA
THIOLASE
FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU C 142
LEU A 223
ASN A 264
ALA A 233
ILE A 259
None
1.04A 4x1yD-2d3tC:
undetectable
4x1yD-2d3tC:
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.
4Y0Q_A_PX9A201_0
(BETA-LACTOGLOBULIN)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU A 672
LEU A 635
VAL A 680
LEU A 703
PHE A 683
None
1.06A 4y0qA-2d3tA:
undetectable
4y0qA-2d3tA:
13.85
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU A 115
GLY A  68
ILE A 136
GLY A 117
GLY A 116
None
0.91A 4yvgA-2d3tA:
undetectable
4yvgA-2d3tA:
18.72
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.
5EHI_A_SAMA4001_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 GLY A 326
GLY A 323
GLY A 349
GLU A 356
ILE A 329
None
None
NAD  A1001 (-3.6A)
None
None
1.03A 5ehiA-2d3tA:
undetectable
5ehiA-2d3tA:
17.87
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.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 PRO A 496
GLY A 552
ASN A 501
ARG A 563
GLU A 558
None
1.08A 5emlA-2d3tA:
4.4
5emlA-2d3tA:
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.
5ESF_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 8 TYR A 660
ILE A 662
GLY A 670
LEU A 293
None
0.88A 5esfA-2d3tA:
undetectable
5esfA-2d3tA:
21.76
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.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 8 TYR A 660
ILE A 662
GLY A 670
LEU A 293
None
0.93A 5esjA-2d3tA:
undetectable
5esjA-2d3tA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 GLY A 392
LEU A 412
PHE A 447
GLY A 449
THR A 478
None
1.21A 5fsaB-2d3tA:
undetectable
5fsaB-2d3tA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSE_C_HQEC1583_1
(UREASE SUBUNIT ALPHA)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 5 ILE A  95
GLN A  42
ARG A  41
GLU A  39
None
1.48A 5fseC-2d3tA:
2.4
5fseC-2d3tA:
23.44
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.
5G6S_B_RAUB400_1
(IMINE REDUCTASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 11 MET C 130
PHE C 349
MET C 125
SER C 243
GLY C 152
ACO  C1003 ( 4.1A)
None
None
ACO  C1003 (-3.5A)
None
1.49A 5g6sB-2d3tC:
0.2
5g6sC-2d3tC:
0.2
5g6sB-2d3tC:
23.21
5g6sC-2d3tC:
23.21
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.
5G6S_D_RAUD400_1
(IMINE REDUCTASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 10 MET C 130
PHE C 349
MET C 125
SER C 243
GLY C 152
ACO  C1003 ( 4.1A)
None
None
ACO  C1003 (-3.5A)
None
1.49A 5g6sD-2d3tC:
0.2
5g6sF-2d3tC:
0.1
5g6sD-2d3tC:
23.21
5g6sF-2d3tC:
23.21
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.
5G6S_E_RAUE400_1
(IMINE REDUCTASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 11 MET C 130
PHE C 349
MET C 125
SER C 243
GLY C 152
ACO  C1003 ( 4.1A)
None
None
ACO  C1003 (-3.5A)
None
1.48A 5g6sE-2d3tC:
0.2
5g6sH-2d3tC:
0.0
5g6sE-2d3tC:
23.21
5g6sH-2d3tC:
23.21
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.
5G6S_H_RAUH400_1
(IMINE REDUCTASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 10 MET C 125
SER C 243
GLY C 152
MET C 130
PHE C 349
None
ACO  C1003 (-3.5A)
None
ACO  C1003 ( 4.1A)
None
1.49A 5g6sE-2d3tC:
0.2
5g6sH-2d3tC:
0.4
5g6sE-2d3tC:
23.21
5g6sH-2d3tC:
23.21
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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 9 SER C 357
GLY C 372
ALA C 295
VAL C 387
ILE C 306
None
1.13A 5i3cA-2d3tC:
undetectable
5i3cA-2d3tC:
21.05
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 10 SER C 357
GLY C 372
ALA C 295
VAL C 387
ILE C 306
None
1.07A 5i3cB-2d3tC:
undetectable
5i3cB-2d3tC:
21.05
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.
5LG3_I_Z80I401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 9 ILE C  39
VAL C  54
ASN C  46
ILE C 253
None
1.00A 5lg3I-2d3tC:
undetectable
5lg3I-2d3tC:
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.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 7 ARG C 272
ILE C 271
LEU C 360
THR C 292
None
0.94A 5vc0A-2d3tC:
undetectable
5vc0A-2d3tC:
20.88
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
4 / 8 SER C  35
GLY C 121
ALA C 249
GLY C  60
None
0.68A 5vw9A-2d3tC:
undetectable
5vw9A-2d3tC:
21.43
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.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 GLY A 321
ALA A 400
SER A 333
HIS A 457
GLU A 356
NAD  A1001 ( 4.0A)
NAD  A1001 (-4.7A)
None
None
None
1.38A 5wbvA-2d3tA:
undetectable
5wbvA-2d3tA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 GLY A 321
ALA A 400
SER A 333
HIS A 457
GLU A 356
NAD  A1001 ( 4.0A)
NAD  A1001 (-4.7A)
None
None
None
1.39A 5wbvB-2d3tA:
undetectable
5wbvB-2d3tA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 GLY A  26
LYS A  25
ASP A  63
GLY A 112
ASP A  23
None
1.24A 5wwsB-2d3tA:
6.2
5wwsB-2d3tA:
21.72
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU A 115
GLY A  68
ILE A 136
GLY A 117
GLY A 116
None
0.97A 5wyqB-2d3tA:
undetectable
5wyqB-2d3tA:
17.89
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.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 10 VAL A 153
GLY A 151
GLU A 120
LEU A 271
ASN A  89
None
1.18A 5x6yB-2d3tA:
2.2
5x6yB-2d3tA:
22.59
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.
5X80_A_SALA201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 5 VAL A 153
PRO A 147
GLY A 148
TYR A 146
None
1.08A 5x80A-2d3tA:
undetectable
5x80B-2d3tA:
1.3
5x80A-2d3tA:
14.87
5x80B-2d3tA:
14.87
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.
5X80_D_SALD201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 5 PRO A 147
GLY A 148
TYR A 146
VAL A 153
None
1.06A 5x80C-2d3tA:
1.2
5x80D-2d3tA:
1.5
5x80C-2d3tA:
14.87
5x80D-2d3tA:
14.87
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.
5YW0_A_ACTA410_0
(UNCHARACTERIZED
PROTEIN KDOO)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
4 / 4 GLY A 661
LEU A 461
VAL A 500
GLU A 463
None
1.32A 5yw0A-2d3tA:
undetectable
5yw0A-2d3tA:
20.17
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.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU A 115
GLY A  68
ILE A 136
GLY A 117
GLY A 116
None
0.89A 5zhmB-2d3tA:
undetectable
5zhmB-2d3tA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A7P_B_9SCB601_0
(SERUM ALBUMIN)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 ILE A 310
LEU A 320
VAL A 398
PHE A 447
LEU A 441
None
NAD  A1001 ( 4.5A)
None
None
None
1.31A 6a7pB-2d3tA:
0.7
6a7pB-2d3tA:
23.53
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.
6A7P_B_9SCB601_0
(SERUM ALBUMIN)
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi)
5 / 12 LEU A 320
VAL A 398
ALA A 311
PHE A 447
LEU A 441
NAD  A1001 ( 4.5A)
None
None
None
None
1.34A 6a7pB-2d3tA:
0.7
6a7pB-2d3tA:
23.53
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.
6B94_B_W9TB201_0
(GALECTIN-1)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 10 HIS C 339
ASP C 211
ASN C 362
GLU C 192
ARG C  15
None
1.37A 6b94A-2d3tC:
undetectable
6b94B-2d3tC:
undetectable
6b94A-2d3tC:
12.19
6b94B-2d3tC:
12.19
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.
6C2M_D_SUED1202_0
(NS3 PROTEASE)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 12 GLY C  14
ILE C  72
GLY C 120
ALA C  36
ALA C  76
None
1.06A 6c2mD-2d3tC:
undetectable
6c2mD-2d3tC:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CGG_B_84GB600_0
(BIFUNCTIONAL AAC/APH)
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi)
5 / 10 SER C 352
ASN C 312
HIS C 347
GLU C 310
GLU C 192
None
ACO  C1003 (-4.4A)
ACO  C1003 (-3.9A)
None
None
1.45A 6cggB-2d3tC:
0.0
6cggB-2d3tC:
20.00