SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ksp'

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.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 ARG A 436
GLY A 437
LEU A 435
PRO A 535
VAL A 534
None
1.22A 1gseA-1kspA:
undetectable
1gseA-1kspA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 ARG A 436
GLY A 437
LEU A 408
LEU A 428
PHE A 354
None
0.97A 1gseB-1kspA:
undetectable
1gseB-1kspA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_C_EAAC223_1
(GLUTATHIONE
TRANSFERASE A1-1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 8 GLY A 437
LEU A 435
VAL A 534
PHE A 440
None
1.01A 1gsfC-1kspA:
undetectable
1gsfC-1kspA:
18.32
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.
1MJ2_A_SAMA2201_0
(PROTEIN (METHIONINE
REPRESSOR))
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 9 GLU A 685
ARG A 688
LEU A 636
ALA A 634
LEU A 563
None
1.29A 1mj2A-1kspA:
undetectable
1mj2A-1kspA:
10.61
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.
1MJ2_C_SAMC1200_0
(PROTEIN (METHIONINE
REPRESSOR))
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 9 GLU A 685
ARG A 688
LEU A 636
ALA A 634
LEU A 563
None
1.31A 1mj2C-1kspA:
undetectable
1mj2C-1kspA:
10.61
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.
1MJO_A_SAMA199_0
(METHIONINE REPRESSOR)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 9 GLU A 685
ARG A 688
LEU A 636
ALA A 634
LEU A 563
None
1.32A 1mjoA-1kspA:
undetectable
1mjoA-1kspA:
10.61
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.
1MJO_B_SAMB200_1
(METHIONINE REPRESSOR)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 9 GLU A 685
ARG A 688
LEU A 636
ALA A 634
LEU A 563
None
1.32A 1mjoB-1kspA:
undetectable
1mjoB-1kspA:
10.61
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.
1MJO_D_SAMD200_0
(METHIONINE REPRESSOR)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 9 GLU A 685
ARG A 688
LEU A 636
ALA A 634
LEU A 563
None
1.32A 1mjoC-1kspA:
undetectable
1mjoC-1kspA:
10.61
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.
1V54_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 LEU A 676
ARG A 688
THR A 641
LEU A 644
None
1.03A 1v54A-1kspA:
3.6
1v54J-1kspA:
0.0
1v54A-1kspA:
21.86
1v54J-1kspA:
7.68
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.
2A1O_A_CAMA1422_0
(CYTOCHROME P450-CAM)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 8 PHE A 526
VAL A 417
GLY A 418
VAL A 534
None
0.91A 2a1oA-1kspA:
0.4
2a1oA-1kspA:
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 11 ALA A 502
ASP A 355
ILE A 489
ILE A 471
THR A 505
None
1.27A 2blaA-1kspA:
undetectable
2blaA-1kspA:
19.03
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.
2DYR_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 LEU A 676
ARG A 688
THR A 641
LEU A 644
None
1.01A 2dyrA-1kspA:
4.1
2dyrJ-1kspA:
0.0
2dyrA-1kspA:
21.86
2dyrJ-1kspA:
7.68
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.
2DYS_J_CHDJ101_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 LEU A 676
ARG A 688
THR A 641
LEU A 644
None
0.98A 2dysA-1kspA:
0.0
2dysJ-1kspA:
0.0
2dysA-1kspA:
21.86
2dysJ-1kspA:
7.68
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.
2EIJ_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 LEU A 676
ARG A 688
THR A 641
LEU A 644
None
1.07A 2eijA-1kspA:
0.0
2eijJ-1kspA:
0.0
2eijA-1kspA:
21.86
2eijJ-1kspA:
7.68
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.
2EIL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 LEU A 676
ARG A 688
THR A 641
LEU A 644
None
1.05A 2eilA-1kspA:
0.0
2eilJ-1kspA:
0.0
2eilA-1kspA:
21.86
2eilJ-1kspA:
7.68
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.
2IYF_A_ERYA1400_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 11 ASN A 487
VAL A 369
ILE A 476
TYR A 382
ALA A 498
None
1.44A 2iyfA-1kspA:
undetectable
2iyfA-1kspA:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KOT_B_ANWB99_0
(PROTEIN S100-A13)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 8 ALA A 738
THR A 750
THR A 748
ASP A 732
None
1.22A 2kotB-1kspA:
0.0
2kotB-1kspA:
11.29
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.
2O4N_A_TPVA300_2
(PROTEASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 8 LEU A 409
ILE A 438
GLY A 418
LEU A 428
None
0.77A 2o4nB-1kspA:
undetectable
2o4nB-1kspA:
9.65
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.
2PIW_A_T3A933_1
(ANDROGEN RECEPTOR)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 10 ILE A 713
GLY A 820
ASN A 524
GLU A 530
ARG A 668
None
None
None
None
ZN  A 320 ( 4.2A)
1.35A 2piwA-1kspA:
0.0
2piwA-1kspA:
17.65
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.
3ABM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 LEU A 676
ARG A 688
THR A 641
LEU A 644
None
1.02A 3abmA-1kspA:
3.7
3abmJ-1kspA:
0.0
3abmA-1kspA:
21.86
3abmJ-1kspA:
7.68
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.
3ASN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 LEU A 676
ARG A 688
THR A 641
LEU A 644
None
0.99A 3asnA-1kspA:
0.0
3asnJ-1kspA:
0.0
3asnA-1kspA:
21.86
3asnJ-1kspA:
7.68
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.
3ASO_J_CHDJ60_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 LEU A 676
ARG A 688
THR A 641
LEU A 644
None
0.99A 3asoA-1kspA:
0.0
3asoJ-1kspA:
0.0
3asoA-1kspA:
21.86
3asoJ-1kspA:
7.68
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.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 7 LEU A 516
LEU A 449
SER A 446
THR A 442
VAL A 417
None
1.44A 3d2tA-1kspA:
undetectable
3d2tA-1kspA:
14.14
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.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 ALA A 859
LEU A 884
ILE A 540
LEU A 537
THR A 908
None
1.07A 3fl9B-1kspA:
undetectable
3fl9B-1kspA:
14.14
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.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 10 ALA A 859
LEU A 884
ILE A 540
LEU A 537
THR A 908
None
1.10A 3fl9E-1kspA:
undetectable
3fl9E-1kspA:
14.14
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.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 ALA A 859
LEU A 884
ILE A 540
LEU A 537
THR A 908
None
1.07A 3fl9G-1kspA:
undetectable
3fl9G-1kspA:
14.14
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 ALA A 715
ILE A 713
SER A 718
LEU A 717
ARG A 804
None
1.34A 3gyqA-1kspA:
undetectable
3gyqB-1kspA:
undetectable
3gyqA-1kspA:
20.46
3gyqB-1kspA:
20.46
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
3 / 3 ARG A 425
THR A 505
THR A 358
None
0.79A 3k2hB-1kspA:
undetectable
3k2hB-1kspA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 5 SER A 365
ARG A 875
GLY A 544
GLU A 887
None
1.30A 3k9fA-1kspA:
4.7
3k9fB-1kspA:
4.8
3k9fC-1kspA:
undetectable
3k9fA-1kspA:
23.34
3k9fB-1kspA:
23.34
3k9fC-1kspA:
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
3 / 3 HIS A 656
SER A 360
ASN A 430
None
0.86A 3s8pB-1kspA:
0.0
3s8pB-1kspA:
17.79
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.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 ILE A 375
TRP A 342
ALA A 414
PHE A 352
LEU A 435
None
1.14A 3w67C-1kspA:
undetectable
3w67C-1kspA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_1
(WBDD)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 TYR A 447
ARG A 821
ASP A 441
GLN A 419
None
1.23A 4azvA-1kspA:
undetectable
4azvA-1kspA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 11 LEU A 409
LEU A 435
ILE A 433
ARG A 539
LEU A 368
None
1.19A 4dm8A-1kspA:
0.0
4dm8A-1kspA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJG_C_NCTC501_1
(CYTOCHROME P450 2A13)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 7 PHE A 354
PHE A 352
PHE A 373
LEU A 368
None
0.84A 4ejgC-1kspA:
0.0
4ejgC-1kspA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 ILE A 713
ALA A 715
ASP A 732
ILE A 733
ILE A 709
None
1.04A 4m2xE-1kspA:
undetectable
4m2xE-1kspA:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
3 / 3 PRO A 549
VAL A 655
HIS A 656
None
0.62A 4pevC-1kspA:
undetectable
4pevC-1kspA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
3 / 3 HIS A 656
SER A 360
ASN A 430
None
0.88A 5cprB-1kspA:
0.0
5cprB-1kspA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 ALA A 704
VAL A 916
TYR A 706
VAL A 863
None
0.94A 5eckA-1kspA:
2.9
5eckA-1kspA:
22.62
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 6 ALA A 704
VAL A 916
TYR A 706
VAL A 863
None
0.97A 5eckD-1kspA:
2.6
5eckD-1kspA:
22.62
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.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.46A 5hm8A-1kspA:
undetectable
5hm8A-1kspA:
22.90
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.
5HM8_B_ADNB501_1
(ADENOSYLHOMOCYSTEINA
SE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.47A 5hm8B-1kspA:
undetectable
5hm8B-1kspA:
22.90
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.
5HM8_C_ADNC501_1
(ADENOSYLHOMOCYSTEINA
SE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.47A 5hm8C-1kspA:
undetectable
5hm8C-1kspA:
22.90
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.
5HM8_D_ADND501_1
(ADENOSYLHOMOCYSTEINA
SE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.46A 5hm8D-1kspA:
undetectable
5hm8D-1kspA:
22.90
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.
5HM8_E_ADNE501_1
(ADENOSYLHOMOCYSTEINA
SE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.46A 5hm8E-1kspA:
undetectable
5hm8E-1kspA:
22.90
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.
5HM8_F_ADNF501_1
(ADENOSYLHOMOCYSTEINA
SE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.46A 5hm8F-1kspA:
undetectable
5hm8F-1kspA:
22.90
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.
5HM8_G_ADNG501_1
(ADENOSYLHOMOCYSTEINA
SE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.46A 5hm8G-1kspA:
undetectable
5hm8G-1kspA:
22.90
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.
5HM8_H_ADNH501_1
(ADENOSYLHOMOCYSTEINA
SE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.47A 5hm8H-1kspA:
undetectable
5hm8H-1kspA:
22.90
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 8 ARG A 754
LEU A 744
GLY A 743
PHE A 742
None
0.90A 5nooD-1kspA:
undetectable
5nooD-1kspA:
19.02
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.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.41A 5v96A-1kspA:
undetectable
5v96A-1kspA:
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.
5V96_B_ADNB502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.42A 5v96B-1kspA:
undetectable
5v96B-1kspA:
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.
5V96_D_ADND502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 HIS A 509
THR A 442
GLY A 418
MET A 531
PHE A 526
None
1.39A 5v96D-1kspA:
undetectable
5v96D-1kspA:
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.
5W4Z_A_RBFA502_2
(RIBOFLAVIN LYASE)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 5 ASN A 923
GLN A 926
ASP A 925
ARG A 690
None
1.22A 5w4zA-1kspA:
undetectable
5w4zA-1kspA:
8.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 8 PRO A 847
THR A 805
TYR A 801
PRO A 522
None
1.26A 5x2sI-1kspA:
undetectable
5x2sJ-1kspA:
undetectable
5x2sK-1kspA:
undetectable
5x2sI-1kspA:
14.73
5x2sJ-1kspA:
14.72
5x2sK-1kspA:
14.73
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
4 / 4 PHE A 373
LEU A 334
LEU A 339
VAL A 331
None
1.22A 5xxiA-1kspA:
0.3
5xxiA-1kspA:
22.96
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 VAL A 896
PHE A 886
ILE A 540
VAL A 536
VAL A 874
None
1.26A 6ap6A-1kspA:
undetectable
6ap6A-1kspA:
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.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli)
5 / 12 VAL A 896
PHE A 886
ILE A 540
VAL A 536
VAL A 874
None
1.26A 6ap6B-1kspA:
undetectable
6ap6B-1kspA:
19.27