SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XCA'


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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)
3up3 ACEDAF-12
(Ancylostoma
ceylanicum)
3 / 3 ASP A 493
THR A 546
PRO A 547
None
XCA  A 100 (-3.7A)
XCA  A 100 (-4.8A)
0.69A 2pynB-3up3A:
undetectable
2pynB-3up3A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)
3up3 ACEDAF-12
(Ancylostoma
ceylanicum)
3 / 3 ASP A 493
THR A 546
PRO A 547
None
XCA  A 100 (-3.7A)
XCA  A 100 (-4.8A)
0.68A 2qakB-3up3A:
undetectable
2qakB-3up3A:
15.42
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.
3TKG_C_ROCC901_3
(PROTEASE)
3up3 ACEDAF-12
(Ancylostoma
ceylanicum)
3 / 3 ASP A 493
THR A 546
PRO A 547
None
XCA  A 100 (-3.7A)
XCA  A 100 (-4.8A)
0.63A 3tkgD-3up3A:
undetectable
3tkgD-3up3A:
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.
4LNW_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)
3up3 ACEDAF-12
(Ancylostoma
ceylanicum)
4 / 8 MET A 492
VAL A 494
THR A 495
ARG A 498
None
XCA  A 100 ( 4.2A)
XCA  A 100 (-3.0A)
None
0.87A 4lnwA-3up3A:
20.2
4lnwA-3up3A:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YOA_A_017A100_1
(HIV-1 PROTEASE)
3up3 ACEDAF-12
(Ancylostoma
ceylanicum)
4 / 6 ASP A 493
THR A 546
PRO A 547
THR A 548
None
XCA  A 100 (-3.7A)
XCA  A 100 (-4.8A)
EDO  A 200 (-3.4A)
0.75A 4yoaA-3up3A:
undetectable
4yoaA-3up3A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BW4_A_SAMA301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)
3up3 ACEDAF-12
(Ancylostoma
ceylanicum)
5 / 12 GLY A 524
ARG A 605
ILE A 596
LEU A 529
LEU A 654
None
None
None
XCA  A 100 (-4.3A)
None
1.05A 5bw4A-3up3A:
undetectable
5bw4A-3up3A:
24.32
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.
5UC3_B_486B801_1
(GLUCOCORTICOID
RECEPTOR)
3up3 ACEDAF-12
(Ancylostoma
ceylanicum)
5 / 12 LEU A 664
GLY A 662
PHE A 665
MET A 492
LEU A 529
XCA  A 100 (-4.8A)
None
None
None
XCA  A 100 (-4.3A)
1.04A 5uc3B-3up3A:
16.9
5uc3B-3up3A:
16.67
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.
5VCY_A_DB8A401_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)
3up3 ACEDAF-12
(Ancylostoma
ceylanicum)
4 / 4 VAL A 669
LEU A 664
ASN A 490
ASP A 487
EDO  A 400 ( 3.7A)
XCA  A 100 (-4.8A)
None
None
1.37A 5vcyA-3up3A:
undetectable
5vcyA-3up3A:
20.25