SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1xdp'

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.
1CMA_A_SAMA105_0
(PROTEIN (MET
REPRESSOR))		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 8 GLU A 462
ARG A 381
LEU A 354
GLU A 351
 None
 1.01A 1cmaA-1xdpA:
undetectable
1cmaB-1xdpA:
undetectable		 1cmaA-1xdpA:
9.53
1cmaB-1xdpA:
9.53
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.
1CMC_B_SAMB105_0
(MET REPRESSOR)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 10 GLU A 462
ARG A 381
LEU A 354
GLU A 351
ALA A 465
 None
 1.10A 1cmcA-1xdpA:
undetectable
1cmcB-1xdpA:
undetectable		 1cmcA-1xdpA:
9.53
1cmcB-1xdpA:
9.53
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.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 8 LEU A 356
GLY A 456
ILE A 455
VAL A 353
 None
 0.64A 1d4sB-1xdpA:
undetectable		 1d4sB-1xdpA:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 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_SAMA2200_0
(PROTEIN (METHIONINE
REPRESSOR))		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 12 ALA A 465
GLU A 462
ARG A 381
LEU A 354
GLU A 351
 None
 1.10A 1mj2A-1xdpA:
undetectable
1mj2B-1xdpA:
undetectable		 1mj2A-1xdpA:
9.68
1mj2B-1xdpA:
9.68
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.
1MJQ_C_SAMC199_0
(METHIONINE REPRESSOR)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 10 GLU A 462
ARG A 381
LEU A 354
GLU A 351
ALA A 465
 None
 1.09A 1mjqC-1xdpA:
undetectable
1mjqD-1xdpA:
undetectable		 1mjqC-1xdpA:
9.68
1mjqD-1xdpA:
9.68
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.
1MJQ_I_SAMI199_0
(METHIONINE REPRESSOR)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 11 GLU A 462
ARG A 381
LEU A 354
GLU A 351
ALA A 465
 None
 1.09A 1mjqI-1xdpA:
undetectable
1mjqJ-1xdpA:
undetectable		 1mjqI-1xdpA:
9.68
1mjqJ-1xdpA:
9.68
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.
1QW6_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 ARG A 632
VAL A 341
TRP A 323
 None
 1.17A 1qw6A-1xdpA:
undetectable		 1qw6A-1xdpA:
20.58
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.
1QWC_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 ARG A 632
VAL A 341
TRP A 323
 None
 1.17A 1qwcA-1xdpA:
undetectable		 1qwcA-1xdpA:
20.58
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.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.32A 1v54A-1xdpA:
2.1
1v54C-1xdpA:
4.6		 1v54A-1xdpA:
20.37
1v54C-1xdpA:
16.23
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.
1V55_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.30A 1v55A-1xdpA:
2.3
1v55C-1xdpA:
4.6		 1v55A-1xdpA:
20.37
1v55C-1xdpA:
16.23
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.
1VAG_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 ARG A 632
VAL A 341
TRP A 323
 None
 1.18A 1vagA-1xdpA:
undetectable		 1vagA-1xdpA:
20.58
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.
1ZVI_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 ARG A 632
VAL A 341
TRP A 323
 None
 1.15A 1zviA-1xdpA:
undetectable		 1zviA-1xdpA:
20.58
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.
2BYO_A_LNLA1217_1
(LIPOPROTEIN LPPX)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 4 VAL A 159
LEU A 123
ILE A 197
LEU A 199
 None
 0.70A 2byoA-1xdpA:
undetectable		 2byoA-1xdpA:
14.79
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.
2DYR_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.31A 2dyrA-1xdpA:
undetectable
2dyrC-1xdpA:
4.6		 2dyrA-1xdpA:
20.37
2dyrC-1xdpA:
16.23
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.
2DYS_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 6 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.33A 2dysA-1xdpA:
2.3
2dysC-1xdpA:
4.6		 2dysA-1xdpA:
20.37
2dysC-1xdpA:
16.23
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.
2DYS_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 6 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.29A 2dysN-1xdpA:
undetectable
2dysP-1xdpA:
4.6		 2dysN-1xdpA:
20.37
2dysP-1xdpA:
16.23
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.
2EIJ_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.31A 2eijA-1xdpA:
undetectable
2eijC-1xdpA:
4.5		 2eijA-1xdpA:
20.37
2eijC-1xdpA:
16.23
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.
2EIJ_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.29A 2eijN-1xdpA:
undetectable
2eijP-1xdpA:
4.6		 2eijN-1xdpA:
20.37
2eijP-1xdpA:
16.23
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.
2EIL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.33A 2eilA-1xdpA:
undetectable
2eilC-1xdpA:
4.6		 2eilA-1xdpA:
20.37
2eilC-1xdpA:
16.23
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.
2EIN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 6 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.33A 2einA-1xdpA:
undetectable
2einC-1xdpA:
4.7		 2einA-1xdpA:
20.37
2einC-1xdpA:
16.23
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 HIS A 321
ILE A 336
LEU A 473
 None
 0.73A 2kceA-1xdpA:
undetectable		 2kceA-1xdpA:
17.61
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.
2KOT_B_ANWB99_0
(PROTEIN S100-A13)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 8 ALA A 673
VAL A 649
THR A 648
ASP A 587
 None
 1.05A 2kotB-1xdpA:
undetectable		 2kotB-1xdpA:
9.25
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.
2RLC_A_GLYA333_0
(CHOLOYLGLYCINE
HYDROLASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 ASN A 538
ASN A 539
ARG A  53
 ATP  A 701 ( 4.7A)
None
None
 0.94A 2rlcA-1xdpA:
undetectable		 2rlcA-1xdpA:
19.76
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.
2ZXW_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 6 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.35A 2zxwA-1xdpA:
2.3
2zxwC-1xdpA:
4.6		 2zxwA-1xdpA:
20.37
2zxwC-1xdpA:
16.23
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.
2ZXW_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 6 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.34A 2zxwN-1xdpA:
2.1
2zxwP-1xdpA:
4.5		 2zxwN-1xdpA:
20.37
2zxwP-1xdpA:
16.23
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.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.32A 3abmN-1xdpA:
undetectable
3abmP-1xdpA:
4.5		 3abmN-1xdpA:
20.37
3abmP-1xdpA:
16.23
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.
3AG2_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.28A 3ag2N-1xdpA:
2.4
3ag2P-1xdpA:
4.6		 3ag2N-1xdpA:
20.37
3ag2P-1xdpA:
16.23
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.
3AG3_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.29A 3ag3A-1xdpA:
2.5
3ag3C-1xdpA:
4.5		 3ag3A-1xdpA:
20.37
3ag3C-1xdpA:
16.23
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.
3AG3_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.30A 3ag3N-1xdpA:
undetectable
3ag3P-1xdpA:
4.6		 3ag3N-1xdpA:
20.37
3ag3P-1xdpA:
16.23
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.
3AG4_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.30A 3ag4A-1xdpA:
undetectable
3ag4C-1xdpA:
4.6		 3ag4A-1xdpA:
20.37
3ag4C-1xdpA:
16.23
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 8 GLU A 401
SER A 428
GLN A 403
VAL A 236
HIS A 237
 None
 1.38A 3b9lA-1xdpA:
3.0		 3b9lA-1xdpA:
23.17
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.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 8 HIS A 592
GLY A 458
ASN A 459
TYR A 374
 ATP  A 701 (-4.1A)
None
ATP  A 701 ( 4.6A)
ATP  A 701 ( 4.2A)
 1.04A 3ccfA-1xdpA:
1.0		 3ccfA-1xdpA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 9 ALA A 360
VAL A 396
ILE A 383
LEU A 418
ILE A 371
 None
 1.28A 3jw3B-1xdpA:
undetectable		 3jw3B-1xdpA:
13.41
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 PHE A 598
TYR A 515
LEU A 529
 None
 0.56A 3keeB-1xdpA:
undetectable		 3keeB-1xdpA:
12.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 12 GLY A 601
GLU A 599
GLY A 528
VAL A 557
ASN A 524
 None
 0.88A 3qowA-1xdpA:
undetectable		 3qowA-1xdpA:
21.50
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.
3SUE_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 PHE A 598
TYR A 515
LEU A 529
 None
 0.53A 3sueB-1xdpA:
undetectable		 3sueB-1xdpA:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UPR_A_1KXA277_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 10 TYR A 596
ILE A 597
VAL A 595
ASP A 593
ILE A 640
 None
 1.49A 3uprA-1xdpA:
undetectable		 3uprA-1xdpA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UPR_C_1KXC277_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 10 TYR A 596
ILE A 597
VAL A 595
ASP A 593
ILE A 640
 None
 1.47A 3uprC-1xdpA:
undetectable		 3uprC-1xdpA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G5J_A_0WMA1103_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 5 ASN A 539
ARG A 616
MET A 614
LEU A 545
 None
 1.45A 4g5jA-1xdpA:
0.0		 4g5jA-1xdpA:
19.88
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.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 5 PRO A 259
ASP A 230
ILE A  62
VAL A 236
 None
 1.28A 4hytA-1xdpA:
0.0		 4hytA-1xdpA:
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.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 12 LEU A 146
ALA A 158
ASN A 141
ALA A 271
VAL A 275
 None
 1.06A 4nkxD-1xdpA:
undetectable		 4nkxD-1xdpA:
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.
4WQ5_B_ACTB404_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 TYR A 374
ARG A 621
LYS A 433
 ATP  A 701 ( 4.2A)
MG  A 703 ( 4.4A)
MG  A 703 ( 4.7A)
 1.40A 4wq5B-1xdpA:
undetectable		 4wq5B-1xdpA:
20.85
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.
5FVO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 ARG A 632
VAL A 341
TRP A 323
 None
 1.13A 5fvoA-1xdpA:
undetectable		 5fvoA-1xdpA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWA_A_GCSA302_1
(CHITOSANASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 ASP A  92
ASP A  88
GLY A 292
TYR A 294
 None
 1.06A 5hwaA-1xdpA:
undetectable		 5hwaA-1xdpA:
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.
5IKR_A_ID8A601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 VAL A 586
LEU A  98
MET A  36
 None
 0.73A 5ikrA-1xdpA:
undetectable		 5ikrA-1xdpA:
21.82
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.
5NUN_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		6 / 9 VAL A 353
ILE A 382
LEU A 357
ILE A 371
ILE A 373
ALA A 465
 None
 1.42A 5nunA-1xdpA:
undetectable		 5nunA-1xdpA:
8.01
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.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 LEU A 513
MET A 517
LEU A 514
PRO A 627
 None
 0.93A 5u4sA-1xdpA:
undetectable		 5u4sA-1xdpA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U98_A_1KXA301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 10 TYR A 596
ILE A 597
VAL A 595
ASP A 593
ILE A 640
 None
 1.48A 5u98A-1xdpA:
undetectable		 5u98A-1xdpA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U98_D_1KXD301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 10 TYR A 596
ILE A 597
VAL A 595
ASP A 593
ILE A 640
 None
 1.50A 5u98D-1xdpA:
undetectable		 5u98D-1xdpA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 ASP A 334
ASN A 331
ASP A 363
 None
 0.81A 5vopA-1xdpA:
undetectable		 5vopA-1xdpA:
18.90
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.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		3 / 3 ASP A 334
ASN A 331
ASP A 363
 None
 0.84A 5vopB-1xdpA:
undetectable		 5vopB-1xdpA:
18.90
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.
5XIW_D_LOCD503_2
(TUBULIN BETA CHAIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		5 / 12 LEU A   6
LEU A 569
LEU A 573
ASN A 572
ILE A   8
 None
 1.23A 5xiwD-1xdpA:
undetectable		 5xiwD-1xdpA:
8.59
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.
6F6S_B_CXQB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 6 VAL A 559
LEU A 535
LEU A 540
LEU A 514
 None
 0.83A 6f6sA-1xdpA:
undetectable
6f6sB-1xdpA:
0.0		 6f6sA-1xdpA:
7.01
6f6sB-1xdpA:
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.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 6 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.31A 6nknA-1xdpA:
undetectable
6nknC-1xdpA:
4.5		 6nknA-1xdpA:
20.37
6nknC-1xdpA:
16.23
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.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1xdp POLYPHOSPHATE KINASE
(Escherichia
coli) 		4 / 7 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.37A 6nmpN-1xdpA:
undetectable
6nmpP-1xdpA:
4.2		 6nmpN-1xdpA:
20.37
6nmpP-1xdpA:
16.23