SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ES'


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.
1BDW_A_DVAA6_0
(GRAMICIDIN A)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 ALA A  63
VAL A  58
TRP A  59
 3ES  A1636 ( 3.9A)
None
3ES  A1636 (-3.8A)
 0.87A 1bdwA-2xy9A:
undetectable
1bdwB-2xy9A:
undetectable		 1bdwA-2xy9A:
2.08
1bdwB-2xy9A:
2.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
LYS A 511
HIS A 513
VAL A 518
TYR A 520
TYR A 523
 3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1636 (-4.1A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.25A 1j36A-2xy9A:
51.0		 1j36A-2xy9A:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		9 / 12 HIS A 353
GLU A 384
HIS A 383
GLU A 411
LYS A 511
HIS A 513
VAL A 518
TYR A 520
TYR A 523
 3ES  A1635 (-3.8A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1636 (-4.1A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 1.41A 1j36A-2xy9A:
51.0		 1j36A-2xy9A:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 259
HIS A 331
THR A 358
HIS A 361
GLU A 362
HIS A 365
GLU A 389
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 (-3.6A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.30A 1j36A-2xydA:
49.7		 1j36A-2xydA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
LYS A 511
HIS A 513
VAL A 518
TYR A 520
TYR A 523
 3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1636 (-4.1A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.26A 1j36B-2xy9A:
51.0		 1j36B-2xy9A:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		9 / 12 HIS A 353
GLU A 384
HIS A 383
GLU A 411
LYS A 511
HIS A 513
VAL A 518
TYR A 520
TYR A 523
 3ES  A1635 (-3.8A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1636 (-4.1A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 1.42A 1j36B-2xy9A:
51.0		 1j36B-2xy9A:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 259
HIS A 331
THR A 358
HIS A 361
GLU A 362
HIS A 365
GLU A 389
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 (-3.6A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.30A 1j36B-2xydA:
49.7		 1j36B-2xydA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 11 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 457
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.1A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.27A 1j37A-2xy9A:
50.9		 1j37A-2xy9A:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 11 HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.6A)
 1.08A 1j37A-2xy9A:
50.9		 1j37A-2xy9A:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 11 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 435
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 ( 4.2A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.33A 1j37A-2xydA:
49.7		 1j37A-2xydA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 11 HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 505
 3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-4.7A)
 1.03A 1j37A-2xydA:
49.7		 1j37A-2xydA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 11 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 457
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.1A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.27A 1j37B-2xy9A:
50.9		 1j37B-2xy9A:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 11 HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.6A)
 1.08A 1j37B-2xy9A:
50.9		 1j37B-2xy9A:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 11 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 435
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 ( 4.2A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.33A 1j37B-2xydA:
49.7		 1j37B-2xydA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 11 HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 505
 3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-4.7A)
 1.03A 1j37B-2xydA:
49.7		 1j37B-2xydA:
40.19
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 GLU A 384
GLY A 386
ASP A 377
VAL A 380
GLN A 369
 3ES  A1635 (-2.8A)
None
None
3ES  A1635 (-3.9A)
None
 1.29A 1n2xA-2xy9A:
undetectable		 1n2xA-2xy9A:
17.79
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.
1NT2_A_SAMA301_1
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 THR A 358
GLU A 262
ASP A 266
 3ES  A1611 (-3.6A)
3ES  A1611 ( 4.7A)
None
 0.78A 1nt2A-2xydA:
undetectable		 1nt2A-2xydA:
14.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		12 / 12 GLU A 162
GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 457
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 None
3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.1A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.37A 1o86A-2xy9A:
62.6		 1o86A-2xy9A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 GLU A 162
HIS A 353
PHE A 460
HIS A 513
TYR A 520
 None
3ES  A1635 (-3.8A)
None
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
 1.39A 1o86A-2xy9A:
62.6		 1o86A-2xy9A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.6A)
 1.05A 1o86A-2xy9A:
62.6		 1o86A-2xy9A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 435
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 ( 4.2A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.26A 1o86A-2xydA:
54.3		 1o86A-2xydA:
53.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 505
 3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-4.7A)
 1.00A 1o86A-2xydA:
54.3		 1o86A-2xydA:
53.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 HIS A 491
GLU A 389
HIS A 361
GLU A 362
HIS A 331
 3ES  A1611 (-3.9A)
ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
3ES  A1611 (-3.8A)
 1.31A 1o86A-2xydA:
54.3		 1o86A-2xydA:
53.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1O86_A_LPRA702_2
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 4 SER A 355
VAL A 380
PHE A 512
VAL A 518
 3ES  A1636 (-4.3A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.8A)
3ES  A1636 (-4.1A)
 0.15A 1o86A-2xy9A:
62.6		 1o86A-2xy9A:
99.83
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.81A 1v7zA-2xy9A:
undetectable		 1v7zA-2xy9A:
19.12
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.78A 1v7zA-2xydA:
undetectable		 1v7zA-2xydA:
17.74
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.83A 1v7zB-2xy9A:
undetectable		 1v7zB-2xy9A:
19.12
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.80A 1v7zB-2xydA:
undetectable		 1v7zB-2xydA:
17.74
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.83A 1v7zC-2xy9A:
undetectable		 1v7zC-2xy9A:
19.12
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.79A 1v7zC-2xydA:
undetectable		 1v7zC-2xydA:
17.74
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.85A 1v7zD-2xy9A:
undetectable		 1v7zD-2xy9A:
19.12
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.81A 1v7zD-2xydA:
undetectable		 1v7zD-2xydA:
17.74
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.85A 1v7zE-2xy9A:
undetectable		 1v7zE-2xy9A:
19.12
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.81A 1v7zE-2xydA:
undetectable		 1v7zE-2xydA:
17.74
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.84A 1v7zF-2xy9A:
undetectable		 1v7zF-2xy9A:
19.12
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.80A 1v7zF-2xydA:
undetectable		 1v7zF-2xydA:
17.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 281
HIS A 353
ALA A 354
HIS A 383
GLU A 384
HIS A 387
GLU A 411
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
3ES  A1635 (-4.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.33A 2c6nA-2xy9A:
53.0		 2c6nA-2xy9A:
55.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		6 / 12 HIS A 353
GLN A 369
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 3ES  A1635 (-3.8A)
None
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 1.25A 2c6nA-2xy9A:
53.0		 2c6nA-2xy9A:
55.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 259
HIS A 331
ALA A 332
HIS A 361
GLU A 362
HIS A 365
GLU A 389
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 (-4.3A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.34A 2c6nA-2xydA:
56.9		 2c6nA-2xydA:
98.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 259
HIS A 331
GLN A 355
HIS A 361
GLU A 362
HIS A 365
GLU A 389
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
None
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.49A 2c6nA-2xydA:
56.9		 2c6nA-2xydA:
98.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		8 / 12 HIS A 331
ALA A 332
HIS A 365
GLU A 362
GLU A 389
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
3ES  A1611 (-4.3A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.46A 2c6nA-2xydA:
56.9		 2c6nA-2xydA:
98.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		6 / 12 HIS A 331
GLN A 347
HIS A 365
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
None
ZN  A1620 ( 3.2A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.37A 2c6nA-2xydA:
56.9		 2c6nA-2xydA:
98.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		6 / 12 HIS A 331
GLN A 347
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
None
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.26A 2c6nA-2xydA:
56.9		 2c6nA-2xydA:
98.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		10 / 12 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.29A 2c6nB-2xy9A:
53.2		 2c6nB-2xy9A:
55.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
LYS A 489
HIS A 491
THR A 496
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-3.4A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.36A 2c6nB-2xydA:
56.3		 2c6nB-2xydA:
98.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		8 / 12 HIS A 331
HIS A 365
GLU A 362
GLU A 389
HIS A 491
THR A 496
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.9A)
3ES  A1611 (-3.4A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.46A 2c6nB-2xydA:
56.3		 2c6nB-2xydA:
98.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C6N_B_LPRB705_2
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 ALA A 332
THR A 358
PHE A 490
 3ES  A1611 (-4.3A)
3ES  A1611 (-3.6A)
3ES  A1611 (-4.7A)
 0.24A 2c6nB-2xydA:
56.3		 2c6nB-2xydA:
98.85
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.
2F7A_B_ACTB1004_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 4 HIS A 410
PRO A 407
ASN A 406
TYR A 390
 3ES  A1635 (-3.4A)
CL  A1627 ( 4.6A)
None
None
 1.21A 2f7aB-2xy9A:
undetectable		 2f7aB-2xy9A:
16.84
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.
2F7A_B_ACTB1004_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 4 HIS A 388
PRO A 385
ASN A 384
TYR A 368
 3ES  A1611 (-3.6A)
CL  A1621 ( 4.5A)
None
None
 1.19A 2f7aB-2xydA:
0.0		 2f7aB-2xydA:
15.91
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.
2JIH_B_097B1001_1
(ADAMTS-1)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 THR A 358
HIS A 361
GLU A 362
HIS A 365
 3ES  A1611 (-3.6A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
 0.23A 2jihB-2xydA:
undetectable		 2jihB-2xydA:
19.47
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.
2P02_A_SAMA2_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-2)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.19A 2p02A-2xy9A:
undetectable		 2p02A-2xy9A:
21.37
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 ASP A 336
THR A 496
PRO A 497
 None
3ES  A1611 (-3.4A)
CL  A1621 (-4.6A)
 0.69A 2pynB-2xydA:
undetectable		 2pynB-2xydA:
10.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 11 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 457
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.1A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.26A 2x8zA-2xy9A:
52.0		 2x8zA-2xy9A:
44.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		8 / 11 HIS A 353
GLU A 384
HIS A 383
GLU A 411
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 3ES  A1635 (-3.8A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 1.46A 2x8zA-2xy9A:
52.0		 2x8zA-2xy9A:
44.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 11 HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.6A)
 1.08A 2x8zA-2xy9A:
52.0		 2x8zA-2xy9A:
44.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 11 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 435
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 ( 4.2A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.22A 2x8zA-2xydA:
50.6		 2x8zA-2xydA:
40.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		7 / 11 HIS A 331
GLU A 362
HIS A 361
GLU A 389
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
3ES  A1611 (-2.5A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.44A 2x8zA-2xydA:
50.6		 2x8zA-2xydA:
40.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 11 HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 505
 3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-4.7A)
 1.03A 2x8zA-2xydA:
50.6		 2x8zA-2xydA:
40.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 12 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
LYS A 511
HIS A 513
VAL A 518
TYR A 520
TYR A 523
 3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1636 (-4.1A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.28A 2x91A-2xy9A:
52.3		 2x91A-2xy9A:
44.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		9 / 12 HIS A 353
GLU A 384
HIS A 383
GLU A 411
LYS A 511
HIS A 513
VAL A 518
TYR A 520
TYR A 523
 3ES  A1635 (-3.8A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1636 (-4.1A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 1.40A 2x91A-2xy9A:
52.3		 2x91A-2xy9A:
44.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		10 / 12 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.22A 2x91A-2xydA:
50.9		 2x91A-2xydA:
40.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		8 / 12 HIS A 331
GLU A 362
HIS A 361
GLU A 389
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
3ES  A1611 (-2.5A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.43A 2x91A-2xydA:
50.9		 2x91A-2xydA:
40.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 SER A 333
THR A 358
PHE A 435
 3ES  A1611 (-4.4A)
3ES  A1611 (-3.6A)
3ES  A1611 ( 4.2A)
 0.27A 2x91A-2xydA:
50.9		 2x91A-2xydA:
40.68
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.
2Y00_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 TRP A  40
THR A  44
SER A 123
SER A 119
PHE A 490
 None
None
None
None
3ES  A1611 (-4.7A)
 1.37A 2y00B-2xydA:
undetectable		 2y00B-2xydA:
18.15
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.
2Y01_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 TRP A  40
THR A  44
SER A 123
SER A 119
PHE A 490
 None
None
None
None
3ES  A1611 (-4.7A)
 1.38A 2y01B-2xydA:
undetectable		 2y01B-2xydA:
18.15
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.82A 3a6jA-2xy9A:
undetectable		 3a6jA-2xy9A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.77A 3a6jA-2xydA:
undetectable		 3a6jA-2xydA:
17.58
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 7 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.80A 3a6jB-2xy9A:
undetectable		 3a6jB-2xy9A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 7 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.75A 3a6jB-2xydA:
undetectable		 3a6jB-2xydA:
17.58
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.80A 3a6jC-2xy9A:
undetectable		 3a6jC-2xy9A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.76A 3a6jC-2xydA:
undetectable		 3a6jC-2xydA:
17.58
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.83A 3a6jE-2xy9A:
undetectable		 3a6jE-2xy9A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.78A 3a6jE-2xydA:
undetectable		 3a6jE-2xydA:
17.58
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.79A 3a6jF-2xy9A:
undetectable		 3a6jF-2xy9A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.75A 3a6jF-2xydA:
undetectable		 3a6jF-2xydA:
17.58
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 HIS A 383
GLU A 384
HIS A 387
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
 0.10A 3kecB-2xy9A:
3.2		 3kecB-2xy9A:
15.30
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_B_HAEB271_1
(COLLAGENASE 3)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 HIS A 361
GLU A 362
HIS A 365
 3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
 0.12A 3kecB-2xydA:
3.5		 3kecB-2xydA:
14.77
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.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 TYR A 523
ASP A 415
ASP A 453
 3ES  A1635 (-3.4A)
3ES  A1635 ( 3.9A)
None
 0.87A 3ou7B-2xy9A:
undetectable		 3ou7B-2xy9A:
17.06
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.
3S8P_A_SAMA500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 HIS A 513
SER A 526
GLU A 411
 3ES  A1635 (-3.9A)
None
ZN  A1628 ( 2.4A)
 0.88A 3s8pA-2xy9A:
undetectable		 3s8pA-2xy9A:
17.79
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.
3S8P_A_SAMA500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 HIS A 491
SER A 504
GLU A 389
 3ES  A1611 (-3.9A)
None
ZN  A1620 ( 2.4A)
 0.88A 3s8pA-2xydA:
undetectable		 3s8pA-2xydA:
18.05
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.
3TKG_C_ROCC901_3
(PROTEASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 ASP A 336
THR A 496
PRO A 497
 None
3ES  A1611 (-3.4A)
CL  A1621 (-4.6A)
 0.61A 3tkgD-2xydA:
undetectable		 3tkgD-2xydA:
10.89
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.
3UFG_B_LEUB289_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 PHE A 490
SER A 123
SER A 119
 3ES  A1611 (-4.7A)
None
None
 0.94A 3ufgB-2xydA:
undetectable		 3ufgB-2xydA:
18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 6 HIS A 387
GLU A 411
ASP A 415
SER A 526
 ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 ( 3.9A)
None
 0.27A 4apjA-2xy9A:
57.3
4apjP-2xy9A:
undetectable		 4apjA-2xy9A:
99.83
4apjP-2xy9A:
1.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 6 HIS A 365
GLU A 389
ASP A 393
SER A 504
 ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.4A)
None
 0.38A 4apjA-2xydA:
51.3
4apjP-2xydA:
undetectable		 4apjA-2xydA:
53.76
4apjP-2xydA:
3.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 11 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 457
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.1A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.26A 4c2pA-2xy9A:
62.4		 4c2pA-2xy9A:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 11 HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.6A)
 1.08A 4c2pA-2xy9A:
62.4		 4c2pA-2xy9A:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		11 / 11 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 435
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 ( 4.2A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.41A 4c2pA-2xydA:
54.3		 4c2pA-2xydA:
53.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 11 HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 505
 3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-4.7A)
 1.04A 4c2pA-2xydA:
54.3		 4c2pA-2xydA:
53.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 TYR A 520
GLN A 493
TRP A 467
 3ES  A1635 (-4.7A)
None
None
 1.05A 4kn2C-2xy9A:
undetectable		 4kn2C-2xy9A:
15.74
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 TYR A 498
GLN A 471
TRP A 445
 3ES  A1611 (-4.7A)
None
None
 1.03A 4kn2C-2xydA:
undetectable		 4kn2C-2xydA:
15.91
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.16A 4ndnA-2xy9A:
undetectable		 4ndnA-2xy9A:
21.02
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.
4NDN_C_SAMC405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 7 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.23A 4ndnC-2xy9A:
undetectable		 4ndnC-2xy9A:
21.02
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.
4ODJ_A_SAMA500_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 7 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.30A 4odjA-2xy9A:
undetectable		 4odjA-2xy9A:
21.04
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 HIS A 383
GLU A 384
HIS A 387
GLU A 411
TYR A 523
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-3.4A)
 0.74A 4r7lA-2xy9A:
5.5		 4r7lA-2xy9A:
24.10
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 HIS A 361
GLU A 362
HIS A 365
GLU A 389
TYR A 501
 3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.5A)
 0.66A 4r7lA-2xydA:
5.3		 4r7lA-2xydA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 5 PHE A 322
SER A 355
HIS A 353
ASP A 415
 None
3ES  A1636 (-4.3A)
3ES  A1635 (-3.8A)
3ES  A1635 ( 3.9A)
 1.23A 4rzvB-2xy9A:
undetectable		 4rzvB-2xy9A:
18.35
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.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 5 PHE A 300
SER A 333
HIS A 331
ASP A 393
 None
3ES  A1611 (-4.4A)
3ES  A1611 (-3.8A)
3ES  A1611 (-3.4A)
 1.26A 4rzvB-2xydA:
undetectable		 4rzvB-2xydA:
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.
5A1I_A_ADNA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.19A 5a1iA-2xy9A:
undetectable		 5a1iA-2xy9A:
21.02
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.
5A1I_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 7 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.19A 5a1iA-2xy9A:
undetectable		 5a1iA-2xy9A:
21.02
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.
5ACL_A_SASA1111_1
(MCG)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 7 TYR A 523
SER A 526
GLU A 411
PHE A 457
 3ES  A1635 (-3.4A)
None
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.1A)
 0.97A 5aclA-2xy9A:
undetectable		 5aclA-2xy9A:
11.11
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.
5ACL_A_SASA1111_1
(MCG)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 7 TYR A 501
SER A 504
GLU A 389
PHE A 435
 3ES  A1611 (-3.5A)
None
ZN  A1620 ( 2.4A)
3ES  A1611 ( 4.2A)
 1.07A 5aclA-2xydA:
undetectable		 5aclA-2xydA:
11.97
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.
5OS7_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 HIS A 353
SER A 355
LYS A 368
 3ES  A1635 (-3.8A)
3ES  A1636 (-4.3A)
None
 1.02A 5os7A-2xy9A:
undetectable		 5os7A-2xy9A:
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.
5OS7_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 HIS A 331
SER A 333
LYS A 346
 3ES  A1611 (-3.8A)
3ES  A1611 (-4.4A)
None
 1.08A 5os7A-2xydA:
undetectable		 5os7A-2xydA:
19.01
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 HIS A 365
TRP A 335
HIS A 491
THR A 496
 ZN  A1620 ( 3.2A)
PEG  A1622 ( 4.0A)
3ES  A1611 (-3.9A)
3ES  A1611 (-3.4A)
 1.45A 5yj1G-2xydA:
undetectable
5yj1Y-2xydA:
0.0		 5yj1G-2xydA:
10.03
5yj1Y-2xydA:
10.03
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.
5YJ1_T_6ELT501_0
(PROTEIN CEREBLON)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 HIS A 491
THR A 496
HIS A 365
TRP A 335
 3ES  A1611 (-3.9A)
3ES  A1611 (-3.4A)
ZN  A1620 ( 3.2A)
PEG  A1622 ( 4.0A)
 1.39A 5yj1k-2xydA:
0.0
5yj1t-2xydA:
undetectable		 5yj1k-2xydA:
10.03
5yj1t-2xydA:
10.03
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 6 SER A 333
GLN A 347
GLU A 389
THR A 496
 3ES  A1611 (-4.4A)
None
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.4A)
 1.41A 6djzA-2xydA:
0.8		 6djzA-2xydA:
17.79
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.
6FBO_A_ADNA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.18A 6fboA-2xy9A:
undetectable		 6fboA-2xy9A:
10.32
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.
6FCD_A_ADNA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 8 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.19A 6fcdA-2xy9A:
undetectable		 6fcdA-2xy9A:
10.32
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.
6G6R_A_SAMA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		4 / 7 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.18A 6g6rA-2xy9A:
undetectable		 6g6rA-2xy9A:
21.02
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.
6GMD_B_ACTB402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 HIS A 353
SER A 355
LYS A 368
 3ES  A1635 (-3.8A)
3ES  A1636 (-4.3A)
None
 1.02A 6gmdB-2xy9A:
undetectable		 6gmdB-2xy9A:
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.
6GMD_B_ACTB402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 HIS A 331
SER A 333
LYS A 346
 3ES  A1611 (-3.8A)
3ES  A1611 (-4.4A)
None
 1.08A 6gmdB-2xydA:
undetectable		 6gmdB-2xydA:
19.01
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.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 ARG A 186
LYS A 511
TYR A 146
 CL  A1626 (-3.8A)
3ES  A1635 (-2.6A)
None
 1.36A 6gnaA-2xy9A:
undetectable		 6gnaA-2xy9A:
19.09
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.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 ARG A 186
LYS A 511
TYR A 146
 CL  A1626 (-3.8A)
3ES  A1635 (-2.6A)
None
 1.36A 6gnbA-2xy9A:
undetectable		 6gnbA-2xy9A:
19.09
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 TRP A  40
THR A  44
SER A 123
SER A 119
PHE A 490
 None
None
None
None
3ES  A1611 (-4.7A)
 1.39A 6h7jA-2xydA:
undetectable		 6h7jA-2xydA:
9.72
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.
6H7J_B_5FWB402_0
(BETA-1 ADRENERGIC
RECEPTOR)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 TRP A  40
THR A  44
SER A 123
SER A 119
PHE A 490
 None
None
None
None
3ES  A1611 (-4.7A)
 1.38A 6h7jB-2xydA:
2.7		 6h7jB-2xydA:
9.72
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.
6H7M_A_68HA504_0
(BETA-1 ADRENERGIC
RECEPTOR)		 2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		5 / 12 TRP A  40
THR A  44
SER A 123
SER A 119
PHE A 490
 None
None
None
None
3ES  A1611 (-4.7A)
 1.42A 6h7mA-2xydA:
undetectable		 6h7mA-2xydA:
9.72