SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ml3'

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.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 7 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.08A 1v55C-3ml3A:
undetectable
1v55N-3ml3A:
undetectable
1v55P-3ml3A:
undetectable
1v55C-3ml3A:
21.48
1v55N-3ml3A:
18.96
1v55P-3ml3A:
21.48
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.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.17A 2y69C-3ml3A:
undetectable
2y69N-3ml3A:
undetectable
2y69P-3ml3A:
undetectable
2y69C-3ml3A:
21.48
2y69N-3ml3A:
18.96
2y69P-3ml3A:
21.48
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.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.11A 3ablA-3ml3A:
undetectable
3ablC-3ml3A:
undetectable
3ablP-3ml3A:
undetectable
3ablA-3ml3A:
18.96
3ablC-3ml3A:
21.48
3ablP-3ml3A:
21.48
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.
3ABL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.13A 3ablC-3ml3A:
undetectable
3ablN-3ml3A:
undetectable
3ablP-3ml3A:
undetectable
3ablC-3ml3A:
21.48
3ablN-3ml3A:
18.96
3ablP-3ml3A:
21.48
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.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.08A 3abmA-3ml3A:
undetectable
3abmC-3ml3A:
undetectable
3abmP-3ml3A:
undetectable
3abmA-3ml3A:
18.96
3abmC-3ml3A:
21.48
3abmP-3ml3A:
21.48
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.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.12A 3asnC-3ml3A:
undetectable
3asnN-3ml3A:
undetectable
3asnP-3ml3A:
undetectable
3asnC-3ml3A:
21.48
3asnN-3ml3A:
18.96
3asnP-3ml3A:
21.48
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.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.13A 3asoA-3ml3A:
undetectable
3asoC-3ml3A:
undetectable
3asoP-3ml3A:
undetectable
3asoA-3ml3A:
18.96
3asoC-3ml3A:
21.48
3asoP-3ml3A:
21.48
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.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.12A 3asoC-3ml3A:
undetectable
3asoN-3ml3A:
undetectable
3asoP-3ml3A:
undetectable
3asoC-3ml3A:
21.48
3asoN-3ml3A:
18.96
3asoP-3ml3A:
21.48
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
3 / 3 ARG A 719
ILE A 694
THR A 697
None
0.64A 3ia4D-3ml3A:
undetectable
3ia4D-3ml3A:
22.06
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 6 GLN A 637
TYR A 635
GLN A 633
ILE A 596
None
1.03A 3peoG-3ml3A:
undetectable
3peoG-3ml3A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
5 / 12 GLY A 691
ILE A 694
ASP A 657
LEU A 689
ASN A 656
None
1.21A 3q87B-3ml3A:
undetectable
3q87B-3ml3A:
17.44
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.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.08A 3wg7A-3ml3A:
undetectable
3wg7C-3ml3A:
undetectable
3wg7P-3ml3A:
undetectable
3wg7A-3ml3A:
18.96
3wg7C-3ml3A:
21.48
3wg7P-3ml3A:
21.48
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.
3WG7_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.10A 3wg7C-3ml3A:
undetectable
3wg7N-3ml3A:
undetectable
3wg7P-3ml3A:
undetectable
3wg7C-3ml3A:
21.48
3wg7N-3ml3A:
18.96
3wg7P-3ml3A:
21.48
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.
3X2Q_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.05A 3x2qA-3ml3A:
undetectable
3x2qC-3ml3A:
undetectable
3x2qP-3ml3A:
undetectable
3x2qA-3ml3A:
18.96
3x2qC-3ml3A:
21.48
3x2qP-3ml3A:
21.48
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.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.12A 3x2qC-3ml3A:
undetectable
3x2qN-3ml3A:
undetectable
3x2qP-3ml3A:
undetectable
3x2qC-3ml3A:
21.48
3x2qN-3ml3A:
18.96
3x2qP-3ml3A:
21.48
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.
4C5N_A_PXLA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 7 GLY A 592
GLY A 620
VAL A 594
MET A 590
None
0.90A 4c5nA-3ml3A:
undetectable
4c5nA-3ml3A:
18.56
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.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
3 / 3 ASP A 662
VAL A 636
ASN A 626
None
0.76A 4lmnA-3ml3A:
undetectable
4lmnA-3ml3A:
20.77
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.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.06A 5b1aA-3ml3A:
undetectable
5b1aC-3ml3A:
undetectable
5b1aP-3ml3A:
undetectable
5b1aA-3ml3A:
18.96
5b1aC-3ml3A:
21.48
5b1aP-3ml3A:
21.48
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.
5B1B_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.14A 5b1bA-3ml3A:
undetectable
5b1bC-3ml3A:
undetectable
5b1bP-3ml3A:
undetectable
5b1bA-3ml3A:
18.96
5b1bC-3ml3A:
21.48
5b1bP-3ml3A:
21.48
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.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.06A 5b3sA-3ml3A:
undetectable
5b3sC-3ml3A:
undetectable
5b3sP-3ml3A:
undetectable
5b3sA-3ml3A:
18.96
5b3sC-3ml3A:
21.48
5b3sP-3ml3A:
21.48
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.
5IY5_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.09A 5iy5C-3ml3A:
undetectable
5iy5N-3ml3A:
undetectable
5iy5P-3ml3A:
undetectable
5iy5C-3ml3A:
20.90
5iy5N-3ml3A:
18.96
5iy5P-3ml3A:
20.90
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.
5TUD_D_ERMD1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
5 / 12 VAL A 608
ALA A 670
GLN A 633
LEU A 624
VAL A 622
None
1.16A 5tudD-3ml3A:
undetectable
5tudD-3ml3A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.05A 5w97A-3ml3A:
undetectable
5w97C-3ml3A:
undetectable
5w97c-3ml3A:
undetectable
5w97A-3ml3A:
18.96
5w97C-3ml3A:
21.48
5w97c-3ml3A:
21.48
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.
5W97_C_CHDC302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 7 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.02A 5w97C-3ml3A:
undetectable
5w97a-3ml3A:
undetectable
5w97c-3ml3A:
undetectable
5w97C-3ml3A:
21.48
5w97a-3ml3A:
18.96
5w97c-3ml3A:
21.48
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.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.04A 5wauA-3ml3A:
undetectable
5wauC-3ml3A:
undetectable
5wauc-3ml3A:
undetectable
5wauA-3ml3A:
18.96
5wauC-3ml3A:
21.48
5wauc-3ml3A:
21.48
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.
5WAU_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 7 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.04A 5wauC-3ml3A:
undetectable
5waua-3ml3A:
undetectable
5wauc-3ml3A:
undetectable
5wauC-3ml3A:
21.48
5waua-3ml3A:
18.96
5wauc-3ml3A:
21.48
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.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.13A 5x19A-3ml3A:
undetectable
5x19C-3ml3A:
undetectable
5x19P-3ml3A:
undetectable
5x19A-3ml3A:
18.96
5x19C-3ml3A:
21.48
5x19P-3ml3A:
21.48
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.
5X1B_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 7 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.12A 5x1bA-3ml3A:
undetectable
5x1bC-3ml3A:
undetectable
5x1bP-3ml3A:
undetectable
5x1bA-3ml3A:
18.96
5x1bC-3ml3A:
21.48
5x1bP-3ml3A:
21.48
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.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 7 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.13A 5x1fA-3ml3A:
undetectable
5x1fC-3ml3A:
undetectable
5x1fP-3ml3A:
undetectable
5x1fA-3ml3A:
18.96
5x1fC-3ml3A:
21.48
5x1fP-3ml3A:
21.48
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.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.05A 5xdqA-3ml3A:
undetectable
5xdqC-3ml3A:
undetectable
5xdqP-3ml3A:
undetectable
5xdqA-3ml3A:
18.96
5xdqC-3ml3A:
21.48
5xdqP-3ml3A:
21.48
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.
5XDQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.10A 5xdqC-3ml3A:
undetectable
5xdqN-3ml3A:
undetectable
5xdqP-3ml3A:
undetectable
5xdqC-3ml3A:
21.48
5xdqN-3ml3A:
18.96
5xdqP-3ml3A:
21.48
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.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.13A 5xdxC-3ml3A:
undetectable
5xdxN-3ml3A:
undetectable
5xdxP-3ml3A:
undetectable
5xdxC-3ml3A:
21.19
5xdxN-3ml3A:
18.96
5xdxP-3ml3A:
21.19
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.
5YOD_D_BEZD201_0
(NS3 PROTEASE)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 5 ALA A 652
SER A 659
GLY A 655
TYR A 718
None
1.16A 5yodD-3ml3A:
undetectable
5yodD-3ml3A:
23.12
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.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.07A 5z84A-3ml3A:
undetectable
5z84C-3ml3A:
undetectable
5z84P-3ml3A:
undetectable
5z84A-3ml3A:
18.96
5z84C-3ml3A:
21.48
5z84P-3ml3A:
21.48
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.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 7 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.12A 5z84C-3ml3A:
undetectable
5z84N-3ml3A:
undetectable
5z84P-3ml3A:
undetectable
5z84C-3ml3A:
21.48
5z84N-3ml3A:
18.96
5z84P-3ml3A:
21.48
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.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.06A 5z85A-3ml3A:
undetectable
5z85C-3ml3A:
undetectable
5z85P-3ml3A:
undetectable
5z85A-3ml3A:
18.96
5z85C-3ml3A:
21.48
5z85P-3ml3A:
21.48
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.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 7 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.11A 5z85C-3ml3A:
undetectable
5z85N-3ml3A:
undetectable
5z85P-3ml3A:
undetectable
5z85C-3ml3A:
21.48
5z85N-3ml3A:
18.96
5z85P-3ml3A:
21.48
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.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.05A 5z86A-3ml3A:
undetectable
5z86C-3ml3A:
undetectable
5z86P-3ml3A:
undetectable
5z86A-3ml3A:
18.96
5z86C-3ml3A:
21.48
5z86P-3ml3A:
21.48
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.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.12A 5z86C-3ml3A:
undetectable
5z86N-3ml3A:
undetectable
5z86P-3ml3A:
undetectable
5z86C-3ml3A:
21.48
5z86N-3ml3A:
18.96
5z86P-3ml3A:
21.48
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.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.08A 5zcoA-3ml3A:
undetectable
5zcoC-3ml3A:
undetectable
5zcoP-3ml3A:
undetectable
5zcoA-3ml3A:
18.96
5zcoC-3ml3A:
21.48
5zcoP-3ml3A:
21.48
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.
5ZCO_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.10A 5zcoC-3ml3A:
undetectable
5zcoN-3ml3A:
undetectable
5zcoP-3ml3A:
undetectable
5zcoC-3ml3A:
21.48
5zcoN-3ml3A:
18.96
5zcoP-3ml3A:
21.48
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.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.09A 5zcpA-3ml3A:
undetectable
5zcpC-3ml3A:
undetectable
5zcpP-3ml3A:
undetectable
5zcpA-3ml3A:
18.96
5zcpC-3ml3A:
21.48
5zcpP-3ml3A:
21.48
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.
5ZCP_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.13A 5zcpC-3ml3A:
undetectable
5zcpN-3ml3A:
undetectable
5zcpP-3ml3A:
undetectable
5zcpC-3ml3A:
21.48
5zcpN-3ml3A:
18.96
5zcpP-3ml3A:
21.48
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.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.07A 5zcqA-3ml3A:
undetectable
5zcqC-3ml3A:
undetectable
5zcqP-3ml3A:
undetectable
5zcqA-3ml3A:
18.96
5zcqC-3ml3A:
21.48
5zcqP-3ml3A:
21.48
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.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 8 LEU A 648
ASP A 662
THR A 634
TYR A 635
None
1.12A 6nknC-3ml3A:
undetectable
6nknN-3ml3A:
undetectable
6nknP-3ml3A:
undetectable
6nknC-3ml3A:
21.48
6nknN-3ml3A:
18.96
6nknP-3ml3A:
21.48
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.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri)
4 / 7 ASP A 662
THR A 634
TYR A 635
LEU A 648
None
1.18A 6nmfA-3ml3A:
undetectable
6nmfC-3ml3A:
undetectable
6nmfP-3ml3A:
undetectable
6nmfA-3ml3A:
18.96
6nmfC-3ml3A:
21.48
6nmfP-3ml3A:
21.48