SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2xe4'

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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 ALA A 522
PHE A 521
ALA A 556
LEU A 582
ILE A 526
 None
 1.19A 1claA-2xe4A:
undetectable		 1claA-2xe4A:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 5 HIS A 661
GLU A 694
ALA A 700
SER A 699
 None
None
None
PGR  A1777 (-3.3A)
 1.31A 1errA-2xe4A:
undetectable
1errB-2xe4A:
undetectable		 1errA-2xe4A:
16.23
1errB-2xe4A:
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 11 ALA A 599
ARG A 678
GLU A  68
ALA A 671
LEU A 689
 None
 0.94A 1mjlA-2xe4A:
undetectable
1mjlB-2xe4A:
undetectable		 1mjlA-2xe4A:
9.67
1mjlB-2xe4A:
9.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 GLU A 621
HIS A 697
SER A 577
TYR A 496
 None
PO4  A1791 ( 3.6A)
PO4  A1791 ( 3.4A)
PO4  A1793 (-3.1A)
 1.23A 1nx9A-2xe4A:
13.3		 1nx9A-2xe4A:
21.62
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 GLU A 621
HIS A 697
SER A 577
TYR A 496
 None
PO4  A1791 ( 3.6A)
PO4  A1791 ( 3.4A)
PO4  A1793 (-3.1A)
 1.24A 1nx9B-2xe4A:
17.3		 1nx9B-2xe4A:
21.62
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 GLU A 621
HIS A 697
SER A 577
TYR A 496
 None
PO4  A1791 ( 3.6A)
PO4  A1791 ( 3.4A)
PO4  A1793 (-3.1A)
 1.25A 1nx9C-2xe4A:
13.2		 1nx9C-2xe4A:
21.62
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 GLU A 621
HIS A 697
SER A 577
TYR A 496
 None
PO4  A1791 ( 3.6A)
PO4  A1791 ( 3.4A)
PO4  A1793 (-3.1A)
 1.25A 1nx9D-2xe4A:
17.3		 1nx9D-2xe4A:
21.62
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.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 TYR A 181
PHE A 171
GLU A 205
GLY A 204
 None
 0.91A 1ykiA-2xe4A:
undetectable
1ykiB-2xe4A:
undetectable		 1ykiA-2xe4A:
14.21
1ykiB-2xe4A:
14.21
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.
1YKI_B_NFZB2219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 TYR A 181
PHE A 171
GLU A 205
GLY A 204
 None
 0.91A 1ykiA-2xe4A:
undetectable
1ykiB-2xe4A:
undetectable		 1ykiA-2xe4A:
14.21
1ykiB-2xe4A:
14.21
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.
1YKI_C_NFZC3219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 TYR A 181
PHE A 171
GLU A 205
GLY A 204
 None
 0.91A 1ykiC-2xe4A:
undetectable
1ykiD-2xe4A:
undetectable		 1ykiC-2xe4A:
14.21
1ykiD-2xe4A:
14.21
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.
1YKI_D_NFZD4219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 TYR A 181
PHE A 171
GLU A 205
GLY A 204
 None
 0.90A 1ykiC-2xe4A:
undetectable
1ykiD-2xe4A:
undetectable		 1ykiC-2xe4A:
14.21
1ykiD-2xe4A:
14.21
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.
2EIN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 0.90A 2einA-2xe4A:
undetectable
2einJ-2xe4A:
undetectable		 2einA-2xe4A:
19.95
2einJ-2xe4A:
6.97
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.
2EIN_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 0.95A 2einN-2xe4A:
undetectable
2einW-2xe4A:
undetectable		 2einN-2xe4A:
19.95
2einW-2xe4A:
6.97
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 4 ARG A 664
GLY A 696
GLU A 179
SER A 710
 PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
PGR  A1777 ( 3.5A)
 1.27A 2xctS-2xe4A:
2.5
2xctU-2xe4A:
undetectable		 2xctS-2xe4A:
22.58
2xctU-2xe4A:
22.58
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.
3ABK_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 5 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 0.98A 3abkN-2xe4A:
undetectable
3abkW-2xe4A:
undetectable		 3abkN-2xe4A:
19.95
3abkW-2xe4A:
6.97
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.
3ABK_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 5 ILE A 206
ARG A 231
MET A 234
THR A 213
 None
 1.19A 3abkN-2xe4A:
undetectable
3abkW-2xe4A:
undetectable		 3abkN-2xe4A:
19.95
3abkW-2xe4A:
6.97
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.
3AG1_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 0.99A 3ag1N-2xe4A:
undetectable
3ag1W-2xe4A:
undetectable		 3ag1N-2xe4A:
19.95
3ag1W-2xe4A:
6.97
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.
3AG3_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 7 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 0.91A 3ag3A-2xe4A:
undetectable
3ag3J-2xe4A:
undetectable		 3ag3A-2xe4A:
19.95
3ag3J-2xe4A:
6.97
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.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 7 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 1.02A 3ag4N-2xe4A:
undetectable
3ag4W-2xe4A:
undetectable		 3ag4N-2xe4A:
19.95
3ag4W-2xe4A:
6.97
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.
3BPX_A_SALA257_1
(TRANSCRIPTIONAL
REGULATOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 SER A 639
ARG A 547
ALA A 585
ILE A 554
 None
 0.84A 3bpxA-2xe4A:
undetectable
3bpxB-2xe4A:
undetectable		 3bpxA-2xe4A:
10.75
3bpxB-2xe4A:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 ARG A 462
SER A 424
PHE A 401
TYR A 422
 PGR  A1749 (-4.5A)
None
None
None
 1.13A 3jq7B-2xe4A:
4.0		 3jq7B-2xe4A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 ARG A 462
SER A 424
PHE A 401
TYR A 422
 PGR  A1749 (-4.5A)
None
None
None
 1.16A 3jqaA-2xe4A:
2.8		 3jqaA-2xe4A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQA_B_DX4B270_0
(PTERIDINE REDUCTASE
1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 ARG A 462
SER A 424
PHE A 401
TYR A 422
 PGR  A1749 (-4.5A)
None
None
None
 1.15A 3jqaB-2xe4A:
2.7		 3jqaB-2xe4A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQA_C_DX4C270_0
(PTERIDINE REDUCTASE
1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 ARG A 462
SER A 424
PHE A 401
TYR A 422
 PGR  A1749 (-4.5A)
None
None
None
 1.15A 3jqaC-2xe4A:
4.2		 3jqaC-2xe4A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQA_D_DX4D270_0
(PTERIDINE REDUCTASE
1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 ARG A 462
SER A 424
PHE A 401
TYR A 422
 PGR  A1749 (-4.5A)
None
None
None
 1.17A 3jqaD-2xe4A:
2.7		 3jqaD-2xe4A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 11 LEU A 244
THR A 219
THR A 202
ASN A 203
GLY A 204
 None
 1.14A 3sfuC-2xe4A:
undetectable		 3sfuC-2xe4A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UUD_A_ESTA600_1
(ESTROGEN RECEPTOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 11 ALA A 556
LEU A 493
MET A 492
GLY A 575
LEU A 582
 None
None
None
PGR  A1742 (-4.2A)
None
 1.26A 3uudA-2xe4A:
undetectable		 3uudA-2xe4A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 GLU A 621
TYR A 496
SER A 577
VAL A 665
HIS A 697
 None
PO4  A1793 (-3.1A)
PO4  A1791 ( 3.4A)
None
PO4  A1791 ( 3.6A)
 1.00A 3w2tA-2xe4A:
25.5		 3w2tA-2xe4A:
21.22
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.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 GLU A 621
TYR A 496
SER A 577
VAL A 665
HIS A 697
 None
PO4  A1793 (-3.1A)
PO4  A1791 ( 3.4A)
None
PO4  A1791 ( 3.6A)
 0.97A 3w2tB-2xe4A:
25.4		 3w2tB-2xe4A:
21.22
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.
4ACB_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 ILE A 687
ILE A 654
SER A 641
GLY A 584
 None
 0.81A 4acbC-2xe4A:
3.8		 4acbC-2xe4A:
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.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 VAL A 277
LEU A 279
ILE A 267
CYH A 266
 None
 0.85A 4asdA-2xe4A:
undetectable		 4asdA-2xe4A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 5 HIS A 312
TYR A 413
GLY A 309
SER A 311
 PGR  A1744 (-3.8A)
PGR  A1757 (-4.8A)
PGR  A1744 (-3.5A)
PGR  A1744 ( 2.6A)
 1.20A 4fu8A-2xe4A:
undetectable		 4fu8A-2xe4A:
15.90
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.
4IJI_F_BEZF501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 8 ALA A 355
LEU A 405
TYR A 360
ARG A 357
 None
 1.19A 4ijiF-2xe4A:
undetectable		 4ijiF-2xe4A:
15.70
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.
4KRH_B_SAMB900_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 4 ILE A 509
SER A 508
ASP A 516
ASP A 482
 PGR  A1765 (-4.1A)
PGR  A1765 ( 2.5A)
GOL  A1734 (-3.5A)
None
 0.91A 4krhB-2xe4A:
undetectable		 4krhB-2xe4A:
19.54
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.
4O2B_B_LOCB503_2
(TUBULIN BETA-2B
CHAIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 LEU A 598
THR A 724
ALA A 715
ILE A 712
ILE A  79
 PGR  A1742 (-4.0A)
None
None
None
None
 1.04A 4o2bB-2xe4A:
2.5		 4o2bB-2xe4A:
19.92
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.
4QC6_B_KANB201_2
(BIFUNCTIONAL AAC/APH)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		3 / 3 LEU A 638
ASP A 635
TYR A 634
 None
GOL  A1740 (-3.6A)
None
 0.46A 4qc6B-2xe4A:
1.2		 4qc6B-2xe4A:
12.02
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.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 LEU A 688
LEU A 598
THR A 724
ALA A 715
ILE A  79
 None
PGR  A1742 (-4.0A)
None
None
None
 1.14A 4x1kD-2xe4A:
undetectable		 4x1kD-2xe4A:
19.92
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.
4X20_D_LOCD502_2
(TUBULIN BETA CHAIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 11 LEU A 688
LEU A 598
THR A 724
ALA A 715
ILE A  79
 None
PGR  A1742 (-4.0A)
None
None
None
 1.15A 4x20D-2xe4A:
undetectable		 4x20D-2xe4A:
19.92
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.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 5 ARG A 664
GLY A 696
GLU A 179
SER A 710
 PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
PGR  A1777 ( 3.5A)
 1.25A 4z3oA-2xe4A:
1.8
4z3oB-2xe4A:
3.8		 4z3oA-2xe4A:
23.21
4z3oB-2xe4A:
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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 7 SER A 710
ARG A 664
GLY A 696
GLU A 179
 PGR  A1777 ( 3.5A)
PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
 0.88A 5btaA-2xe4A:
undetectable
5btaC-2xe4A:
undetectable
5btaD-2xe4A:
3.0		 5btaA-2xe4A:
20.42
5btaC-2xe4A:
20.42
5btaD-2xe4A:
16.17
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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 SER A 710
ARG A 664
GLY A 696
GLU A 179
 PGR  A1777 ( 3.5A)
PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
 0.91A 5btaA-2xe4A:
undetectable
5btaB-2xe4A:
2.2
5btaC-2xe4A:
undetectable		 5btaA-2xe4A:
20.42
5btaB-2xe4A:
16.17
5btaC-2xe4A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 SER A 710
ARG A 664
GLY A 696
GLU A 179
 PGR  A1777 ( 3.5A)
PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
 0.85A 5btcA-2xe4A:
undetectable
5btcC-2xe4A:
undetectable
5btcD-2xe4A:
2.0		 5btcA-2xe4A:
20.42
5btcC-2xe4A:
20.42
5btcD-2xe4A:
16.17
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 SER A 710
ARG A 664
GLY A 696
GLU A 179
 PGR  A1777 ( 3.5A)
PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
 0.87A 5btcA-2xe4A:
undetectable
5btcB-2xe4A:
1.9
5btcC-2xe4A:
undetectable		 5btcA-2xe4A:
20.42
5btcB-2xe4A:
16.17
5btcC-2xe4A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 7 SER A 710
ARG A 664
GLY A 696
GLU A 179
 PGR  A1777 ( 3.5A)
PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
 0.91A 5btfA-2xe4A:
undetectable
5btfB-2xe4A:
2.9
5btfC-2xe4A:
undetectable		 5btfA-2xe4A:
20.42
5btfB-2xe4A:
16.17
5btfC-2xe4A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 7 SER A 710
ARG A 664
GLY A 696
GLU A 179
 PGR  A1777 ( 3.5A)
PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
 0.92A 5btfA-2xe4A:
undetectable
5btfC-2xe4A:
undetectable
5btfD-2xe4A:
3.4		 5btfA-2xe4A:
20.42
5btfC-2xe4A:
20.42
5btfD-2xe4A:
16.17
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.
5CDQ_F_MFXF2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 SER A 476
ASP A 552
ARG A 527
GLY A 529
 PGR  A1749 (-2.9A)
None
PGR  A1747 (-4.0A)
None
 0.92A 5cdqA-2xe4A:
undetectable
5cdqC-2xe4A:
undetectable
5cdqD-2xe4A:
2.2		 5cdqA-2xe4A:
22.03
5cdqC-2xe4A:
22.03
5cdqD-2xe4A:
13.69
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.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 ALA A 524
LEU A 493
MET A 492
GLY A 575
LEU A 582
 None
None
None
PGR  A1742 (-4.2A)
None
 1.33A 5dx3A-2xe4A:
undetectable		 5dx3A-2xe4A:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 ALA A 671
GLU A  68
LEU A 689
ARG A 678
GLY A 600
 None
None
None
None
PGR  A1742 (-3.5A)
 1.33A 5dx3A-2xe4A:
undetectable		 5dx3A-2xe4A:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 ALA A 524
LEU A 493
MET A 492
GLY A 575
LEU A 582
 None
None
None
PGR  A1742 (-4.2A)
None
 1.29A 5dxbA-2xe4A:
undetectable		 5dxbA-2xe4A:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 ALA A 671
GLU A  68
LEU A 689
ARG A 678
GLY A 600
 None
None
None
None
PGR  A1742 (-3.5A)
 1.35A 5dxbA-2xe4A:
undetectable		 5dxbA-2xe4A:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXG_B_ESTB601_1
(ESTROGEN RECEPTOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 11 ALA A 524
LEU A 493
MET A 492
GLY A 575
LEU A 582
 None
None
None
PGR  A1742 (-4.2A)
None
 1.24A 5dxgB-2xe4A:
undetectable		 5dxgB-2xe4A:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 MET A 503
ALA A 524
LEU A 493
MET A 492
GLY A 575
 PGR  A1764 ( 3.5A)
None
None
None
PGR  A1742 (-4.2A)
 0.88A 5gtrA-2xe4A:
undetectable		 5gtrA-2xe4A:
15.77
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.
5JHN_B_SAMB1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 GLY A 620
TRP A 622
TYR A 543
TYR A 537
GLN A 270
 None
None
GOL  A1741 (-4.5A)
None
None
 1.41A 5jhnB-2xe4A:
undetectable		 5jhnB-2xe4A:
18.02
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.
5JIN_A_SAMA1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 GLY A 620
TRP A 622
TYR A 543
TYR A 537
GLN A 270
 None
None
GOL  A1741 (-4.5A)
None
None
 1.42A 5jinA-2xe4A:
undetectable		 5jinA-2xe4A:
18.02
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.
5JJ0_A_SAMA1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 GLY A 620
TRP A 622
TYR A 543
TYR A 537
GLN A 270
 None
None
GOL  A1741 (-4.5A)
None
None
 1.41A 5jj0A-2xe4A:
undetectable		 5jj0A-2xe4A:
18.02
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.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 LEU A 598
THR A 724
ALA A 715
ILE A 712
ILE A  79
 PGR  A1742 (-4.0A)
None
None
None
None
 1.03A 5mioB-2xe4A:
2.5		 5mioB-2xe4A:
19.92
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.
5OGC_B_TA1B601_1
(TUBULIN BETA CHAIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 VAL A 477
GLU A 461
LEU A 721
ARG A 517
LEU A 483
 None
 1.25A 5ogcB-2xe4A:
2.9		 5ogcB-2xe4A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T0M_B_SAMB1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 GLY A 620
TRP A 622
TYR A 543
TYR A 537
GLN A 270
 None
None
GOL  A1741 (-4.5A)
None
None
 1.47A 5t0mB-2xe4A:
undetectable		 5t0mB-2xe4A:
17.07
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.
5WGQ_A_ESTA601_1
(ESTROGEN RECEPTOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 9 ALA A 524
LEU A 493
MET A 492
GLY A 575
LEU A 582
 None
None
None
PGR  A1742 (-4.2A)
None
 1.24A 5wgqA-2xe4A:
undetectable		 5wgqA-2xe4A:
7.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		3 / 3 LEU A 342
VAL A 384
ASP A 379
 GOL  A1733 (-4.6A)
CL  A1798 ( 3.9A)
PGR  A1760 ( 4.3A)
 0.64A 5x23A-2xe4A:
undetectable		 5x23A-2xe4A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 7 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 0.88A 5xdxA-2xe4A:
undetectable
5xdxJ-2xe4A:
undetectable		 5xdxA-2xe4A:
19.95
5xdxJ-2xe4A:
6.97
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.
5XIW_D_LOCD503_2
(TUBULIN BETA CHAIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 LEU A 598
THR A 724
ALA A 715
ILE A 712
ILE A  79
 PGR  A1742 (-4.0A)
None
None
None
None
 1.01A 5xiwD-2xe4A:
2.6		 5xiwD-2xe4A:
7.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 1.03A 5zcoN-2xe4A:
undetectable
5zcoW-2xe4A:
undetectable		 5zcoN-2xe4A:
19.95
5zcoW-2xe4A:
6.97
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 GLU A 621
TYR A 496
SER A 577
VAL A 665
HIS A 697
 None
PO4  A1793 (-3.1A)
PO4  A1791 ( 3.4A)
None
PO4  A1791 ( 3.6A)
 0.96A 6b1eB-2xe4A:
25.2		 6b1eB-2xe4A:
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 12 GLU A 531
VAL A 586
PHE A 553
ILE A 554
PHE A 550
 None
 1.30A 6becA-2xe4A:
undetectable
6becB-2xe4A:
undetectable
6becC-2xe4A:
undetectable		 6becA-2xe4A:
22.11
6becB-2xe4A:
22.11
6becC-2xe4A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 6 GLN A 713
VAL A 596
MET A 503
PRO A 513
 PGR  A1742 ( 3.2A)
None
PGR  A1764 ( 3.5A)
None
 1.21A 6brdB-2xe4A:
undetectable		 6brdB-2xe4A:
6.85
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.
6HD4_A_STIA604_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 5 TYR A 496
VAL A 478
MET A 583
GLY A 580
 PO4  A1793 (-3.1A)
None
None
None
 1.14A 6hd4A-2xe4A:
undetectable		 6hd4A-2xe4A:
7.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 11 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.49A 6mb5A-2xe4A:
undetectable		 6mb5A-2xe4A:
7.74
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.
6MB7_A_PARA900_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.44A 6mb7A-2xe4A:
0.0		 6mb7A-2xe4A:
7.74
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.
6MB9_A_NMYA303_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.47A 6mb9A-2xe4A:
undetectable		 6mb9A-2xe4A:
7.74
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.
6MB9_B_NMYB302_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.46A 6mb9B-2xe4A:
undetectable		 6mb9B-2xe4A:
7.74
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.
6MB9_C_NMYC302_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.47A 6mb9C-2xe4A:
undetectable		 6mb9C-2xe4A:
7.74