SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CFE'


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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		8 / 12 HIS A  86
HIS A  88
ASP A  89
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.86A 1a4lA-3lggA:
33.7		 1a4lA-3lggA:
21.85
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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		6 / 12 HIS A  86
HIS A  88
PHE A 181
HIS A 330
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.22A 1a4lA-3lggA:
33.7		 1a4lA-3lggA:
21.85
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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		9 / 12 HIS A  86
HIS A  88
PHE A 181
PHE A 185
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 ( 3.7A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.60A 1a4lA-3lggA:
33.7		 1a4lA-3lggA:
21.85
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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		6 / 12 HIS A  86
PHE A 420
PHE A 181
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
None
CFE  A 513 (-4.8A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.31A 1a4lA-3lggA:
33.7		 1a4lA-3lggA:
21.85
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.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		7 / 12 HIS A  88
ASP A  89
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.95A 1a4lB-3lggA:
33.9		 1a4lB-3lggA:
21.85
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.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 HIS A  88
LEU A 389
PHE A 181
HIS A 330
ASP A 416
 CFE  A 513 ( 3.3A)
None
CFE  A 513 (-4.8A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-2.8A)
 1.31A 1a4lB-3lggA:
33.9		 1a4lB-3lggA:
21.85
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.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		7 / 12 HIS A  88
PHE A 181
PHE A 185
HIS A 330
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 ( 3.7A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.67A 1a4lB-3lggA:
33.9		 1a4lB-3lggA:
21.85
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.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		7 / 12 HIS A  88
PHE A 185
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 ( 3.7A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.45A 1a4lB-3lggA:
33.9		 1a4lB-3lggA:
21.85
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		8 / 12 HIS A  86
HIS A  88
ASP A  89
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.82A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
21.85
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		6 / 12 HIS A  86
HIS A  88
PHE A 181
HIS A 330
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.17A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
21.85
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		9 / 12 HIS A  86
HIS A  88
PHE A 181
PHE A 185
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 ( 3.7A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.59A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
21.85
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		6 / 12 HIS A  86
PHE A 420
PHE A 181
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
None
CFE  A 513 (-4.8A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.28A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
21.85
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		8 / 12 HIS A  88
ASP A  89
GLY A 300
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.98A 1a4lD-3lggA:
33.5		 1a4lD-3lggA:
21.85
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 HIS A  88
PHE A 181
GLY A 300
HIS A 330
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-2.8A)
 1.35A 1a4lD-3lggA:
33.5		 1a4lD-3lggA:
21.85
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		8 / 12 HIS A  88
PHE A 181
PHE A 185
GLY A 300
HIS A 330
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 ( 3.7A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.59A 1a4lD-3lggA:
33.5		 1a4lD-3lggA:
21.85
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		8 / 12 HIS A  88
PHE A 185
GLY A 300
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 ( 3.7A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.41A 1a4lD-3lggA:
33.5		 1a4lD-3lggA:
21.85
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.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 6 LEU A 389
HIS A  86
HIS A  88
HIS A 330
 None
ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
 0.91A 2ow9A-3lggA:
undetectable		 2ow9A-3lggA:
15.21
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		9 / 12 HIS A  88
ASP A  89
GLY A 300
HIS A 330
GLU A 333
HIS A 358
SER A 385
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 4.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.64A 2pgfA-3lggA:
35.1		 2pgfA-3lggA:
25.69
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		9 / 12 HIS A  88
ASP A  89
PHE A 181
GLY A 300
HIS A 330
HIS A 358
SER A 385
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
CFE  A 513 (-4.8A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 4.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.72A 2pgfA-3lggA:
35.1		 2pgfA-3lggA:
25.69
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.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		10 / 12 HIS A  86
HIS A  88
ASP A  89
PHE A 181
GLY A 300
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
CFE  A 513 (-4.8A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.72A 2pgrA-3lggA:
35.0		 2pgrA-3lggA:
25.69
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 8 HIS A 330
ASP A 297
ILE A 263
HIS A  88
 ZN  A 512 ( 3.5A)
None
None
CFE  A 513 ( 3.3A)
 0.97A 2xadA-3lggA:
undetectable		 2xadA-3lggA:
19.08
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.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 8 HIS A 330
ASP A 297
ILE A 263
HIS A  88
 ZN  A 512 ( 3.5A)
None
None
CFE  A 513 ( 3.3A)
 0.99A 2xadB-3lggA:
undetectable		 2xadB-3lggA:
19.08
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.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 8 HIS A 330
ASP A 297
ILE A 263
HIS A  88
 ZN  A 512 ( 3.5A)
None
None
CFE  A 513 ( 3.3A)
 1.01A 2xadC-3lggA:
undetectable		 2xadC-3lggA:
19.08
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.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 8 HIS A 330
ASP A 297
ILE A 263
HIS A  88
 ZN  A 512 ( 3.5A)
None
None
CFE  A 513 ( 3.3A)
 0.95A 2xadD-3lggA:
undetectable		 2xadD-3lggA:
19.08
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.
3BA0_A_HAEA477_1
(MACROPHAGE
METALLOELASTASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		3 / 3 HIS A 301
GLU A 182
HIS A 267
 None
CFE  A 513 (-3.0A)
CFE  A 513 (-3.9A)
 0.81A 3ba0A-3lggA:
undetectable		 3ba0A-3lggA:
20.04
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 5 HIS A  86
HIS A 330
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.17A 3c0zA-3lggA:
undetectable		 3c0zA-3lggA:
20.68
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 6 HIS A  86
HIS A 330
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.21A 3c0zC-3lggA:
undetectable		 3c0zC-3lggA:
20.68
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.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 5 LEU A 389
HIS A  86
HIS A  88
HIS A 330
 None
ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
 0.98A 3kecA-3lggA:
undetectable		 3kecA-3lggA:
15.01
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.
3LSK_B_ACTB901_0
(PYRANOSE 2-OXIDASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 6 SER A 385
PHE A 420
PHE A 185
HIS A  88
 CFE  A 513 ( 4.5A)
None
CFE  A 513 ( 3.7A)
CFE  A 513 ( 3.3A)
 1.40A 3lskB-3lggA:
undetectable		 3lskB-3lggA:
22.08
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.
3LSK_D_ACTD901_0
(PYRANOSE 2-OXIDASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 6 SER A 385
PHE A 420
PHE A 185
HIS A  88
 CFE  A 513 ( 4.5A)
None
CFE  A 513 ( 3.7A)
CFE  A 513 ( 3.3A)
 1.39A 3lskD-3lggA:
undetectable		 3lskD-3lggA:
22.08
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 6 HIS A 358
HIS A 330
HIS A  86
ASP A 416
 CFE  A 513 ( 4.3A)
ZN  A 512 ( 3.5A)
ZN  A 512 (-3.4A)
CFE  A 513 (-2.8A)
 0.70A 3nvcA-3lggA:
undetectable		 3nvcA-3lggA:
20.72
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.
3QPK_A_CUA602_0
(LACCASE-1)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		3 / 3 HIS A 330
HIS A  86
HIS A  88
 ZN  A 512 ( 3.5A)
ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
 0.54A 3qpkA-3lggA:
undetectable		 3qpkA-3lggA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_B_CUB602_0
(LACCASE-1)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		3 / 3 HIS A 330
HIS A  86
HIS A  88
 ZN  A 512 ( 3.5A)
ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
 0.56A 3qpkB-3lggA:
undetectable		 3qpkB-3lggA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 6 LEU A 389
HIS A  86
HIS A  88
HIS A 330
 None
ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
 0.91A 4a7bA-3lggA:
undetectable		 4a7bA-3lggA:
14.57
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		6 / 12 HIS A 330
GLU A 333
GLU A 302
HIS A 358
SER A 385
ASP A 415
 ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
None
CFE  A 513 ( 4.3A)
CFE  A 513 ( 4.5A)
CFE  A 513 ( 2.8A)
 0.54A 4aqlA-3lggA:
2.4		 4aqlA-3lggA:
21.79
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 GLY A 300
ASP A 416
HIS A  88
ASP A 415
HIS A  86
 CFE  A 513 (-3.3A)
CFE  A 513 (-2.8A)
CFE  A 513 ( 3.3A)
CFE  A 513 ( 2.8A)
ZN  A 512 (-3.4A)
 0.90A 4bz6C-3lggA:
undetectable		 4bz6C-3lggA:
20.35
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.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 4 HIS A  86
HIS A  88
HIS A 358
HIS A 330
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 ( 4.3A)
ZN  A 512 ( 3.5A)
 0.95A 4ef3A-3lggA:
undetectable		 4ef3A-3lggA:
20.82
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 HIS A  88
HIS A 330
HIS A 358
LEU A 389
ASP A 415
 CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 4.3A)
None
CFE  A 513 ( 2.8A)
 0.27A 4r88A-3lggA:
21.0		 4r88A-3lggA:
22.57
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 HIS A  88
LEU A 389
HIS A 330
HIS A 358
ASP A 415
 CFE  A 513 ( 3.3A)
None
ZN  A 512 ( 3.5A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
 1.27A 4r88A-3lggA:
21.0		 4r88A-3lggA:
22.57
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 HIS A  88
HIS A 330
GLU A 333
LEU A 389
ASP A 415
 CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
None
CFE  A 513 ( 2.8A)
 0.37A 4r88B-3lggA:
21.0		 4r88B-3lggA:
22.57
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.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 HIS A  88
HIS A 330
GLU A 333
LEU A 389
ASP A 415
 CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
None
CFE  A 513 ( 2.8A)
 0.38A 4r88C-3lggA:
21.0		 4r88C-3lggA:
22.57
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.
4R88_D_1LDD501_0
(CYTOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 HIS A  88
HIS A 330
GLU A 333
LEU A 389
ASP A 415
 CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
None
CFE  A 513 ( 2.8A)
 0.38A 4r88D-3lggA:
12.5		 4r88D-3lggA:
22.57
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.
4R88_E_1LDE501_0
(CYTOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 HIS A  88
HIS A 330
GLU A 333
LEU A 389
ASP A 415
 CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
None
CFE  A 513 ( 2.8A)
 0.37A 4r88E-3lggA:
21.1		 4r88E-3lggA:
22.57
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.
4R88_F_1LDF502_0
(CYTOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 12 HIS A  88
HIS A 330
GLU A 333
LEU A 389
ASP A 415
 CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
None
CFE  A 513 ( 2.8A)
 0.37A 4r88F-3lggA:
21.1		 4r88F-3lggA:
22.57
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.
4WQL_A_KANA203_1
(2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		5 / 9 ASP A 416
ASP A 415
GLU A 380
ASP A 297
GLU A 302
 CFE  A 513 (-2.8A)
CFE  A 513 ( 2.8A)
None
None
None
 1.07A 4wqlA-3lggA:
0.0		 4wqlA-3lggA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 8 ASP A 416
ASP A 415
GLU A 380
ASP A 297
 CFE  A 513 (-2.8A)
CFE  A 513 ( 2.8A)
None
None
 1.04A 4xjeA-3lggA:
undetectable		 4xjeA-3lggA:
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		4 / 8 ASP A 416
ASP A 415
GLU A 380
ASP A 297
 CFE  A 513 (-2.8A)
CFE  A 513 ( 2.8A)
None
None
 0.93A 5cfsA-3lggA:
undetectable		 5cfsA-3lggA:
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.
5MIG_A_CUA601_0
(LACCASE 2)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		3 / 3 HIS A 330
HIS A  86
HIS A  88
 ZN  A 512 ( 3.5A)
ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
 0.49A 5migA-3lggA:
undetectable		 5migA-3lggA:
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		8 / 12 HIS A  88
ASP A  89
SER A 265
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
None
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.21A 6n91A-3lggA:
32.1		 6n91A-3lggA:
12.42
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.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens) 		8 / 12 HIS A  88
ASP A  89
SER A 265
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
None
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.21A 6n91B-3lggA:
32.2		 6n91B-3lggA:
12.42