Ligand ID: HAE


Drugbank ID:
DB00551
(Acetohydroxamic Acid)


Indication:
Used, in addition to antibiotics or medical procedures, to treat chronic urea-splitting urinary infections.

Get human targets for HAE in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'HAE' AND SARS-COV-2 / COVID-19 STRUCTURES

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		5r7y 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.51A19.40
None
DMS  A1005 (-4.0A)
None
DMS  A1005 (-4.1A)
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)		5r7y 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.56A18.79
None
DMS  A1005 (-4.0A)
None
DMS  A1005 (-4.1A)
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)		5r7y 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.57A18.42
None
DMS  A1005 (-4.0A)
None
DMS  A1005 (-4.1A)
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)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.61A16.48
None
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)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.54A20.00
None
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)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.59A17.98
None
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)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.60A18.27
None
ELL  D   3 (-3.7A)
ELL  D   3 (-4.6A)
ELL  D   3 (-3.9A)
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)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.54A19.22
None
ELL  D   3 (-3.7A)
ELL  D   3 (-4.6A)
ELL  D   3 (-3.9A)
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)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.58A18.79
None
ELL  D   3 (-3.7A)
ELL  D   3 (-4.6A)
ELL  D   3 (-3.9A)
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)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.54A19.40
DMS  A 403 ( 4.8A)
ELL  D   3 ( 3.6A)
ELL  D   3 (-4.5A)
ELL  D   3 (-3.9A)
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)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.58A18.79
DMS  A 403 ( 4.8A)
ELL  D   3 ( 3.6A)
ELL  D   3 (-4.5A)
ELL  D   3 (-3.9A)
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)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.60A18.42
DMS  A 403 ( 4.8A)
ELL  D   3 ( 3.6A)
ELL  D   3 (-4.5A)
ELL  D   3 (-3.9A)
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.65A18.42
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU D 141
GLU D 166
HIS D 172
HIS D 163
1.55A18.42
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.64A18.79
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU B 141
GLU B 166
HIS B 172
HIS B 163
1.64A18.42
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU D 141
GLU D 166
HIS D 172
HIS D 163
1.54A18.79
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU C 141
GLU C 166
HIS C 172
HIS C 163
1.58A18.79
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU B 141
GLU B 166
HIS B 172
HIS B 163
1.63A18.79
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU D 141
GLU D 166
HIS D 172
HIS D 163
1.49A19.40
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU B 141
GLU B 166
HIS B 172
HIS B 163
1.60A19.40
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU C 141
GLU C 166
HIS C 172
HIS C 163
1.54A19.40
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU C 141
GLU C 166
HIS C 172
HIS C 163
1.58A18.42
None
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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.60A19.40
None
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)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.58A19.40
None
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)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.62A18.79
None
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)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.64A18.42
None
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)		6m71 NSP12
(SARS-CoV-2)		3 / 3
HIS A 810
GLU A 811
HIS A 816
1.04A9.83
None
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)		6m71 NSP12
(SARS-CoV-2)		4 / 6
LEU A 636
GLU A 658
HIS A 572
HIS A 642
1.74A9.55
None
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.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
HIS C1083
HIS C1088
THR C1120
THR C1117
1.56A11.62
None
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.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
HIS A1083
HIS A1088
THR A1120
THR A1117
1.55A11.62
None
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)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.64A18.79
None
X77  A 401 (-3.4A)
X77  A 401 ( 4.6A)
X77  A 401 (-4.1A)
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)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.65A18.42
None
X77  A 401 (-3.4A)
X77  A 401 ( 4.6A)
X77  A 401 (-4.1A)
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)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.60A19.40
None
X77  A 401 (-3.4A)
X77  A 401 ( 4.6A)
X77  A 401 (-4.1A)
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.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
HIS C 145
HIS B  59
LEU C 139
THR C 141
1.70A18.15
 ZN  C 201 (-3.4A)
ZN  C 201 (-3.3A)
None
None
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.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
HIS A 145
HIS D  59
LEU A 139
THR A 141
1.70A18.15
 ZN  A 201 (-3.1A)
ZN  A 201 (-4.1A)
None
None
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)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.64A19.40
None
U5G  A 401 (-4.4A)
None
None
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)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.67A18.79
None
U5G  A 401 (-4.4A)
None
None
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)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.68A18.42
None
U5G  A 401 (-4.4A)
None
None
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)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.64A18.42
None
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)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.62A18.79
None
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)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.58A19.40
None
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)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 141
HIS A 163
GLU A 166
HIS A 172
1.78A18.42
None
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)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.60A17.98
None
DMS  A 405 (-3.4A)
DMS  A 405 ( 4.8A)
DMS  A 405 (-3.9A)
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)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.62A16.48
None
DMS  A 405 (-3.4A)
DMS  A 405 ( 4.8A)
DMS  A 405 (-3.9A)
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)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
LEU A 141
HIS A 163
GLU A 166
HIS A 172
1.80A16.48
None
DMS  A 405 (-3.9A)
DMS  A 405 (-3.4A)
DMS  A 405 ( 4.8A)
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)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.56A19.57
None
DMS  A 405 (-3.4A)
DMS  A 405 ( 4.8A)
DMS  A 405 (-3.9A)
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)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.62A18.42
None
P6N  A 502 (-2.8A)
None
P6N  A 502 (-3.8A)
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)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.60A18.79
None
P6N  A 502 (-2.8A)
None
P6N  A 502 (-3.8A)
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)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.56A19.40
None
P6N  A 502 (-2.8A)
None
P6N  A 502 (-3.8A)
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)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.73A18.79
None
DMS  A 403 (-2.8A)
None
DMS  A 403 (-4.1A)
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)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.74A18.42
None
DMS  A 403 (-2.8A)
None
DMS  A 403 (-4.1A)
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)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.70A19.40
None
DMS  A 403 (-2.8A)
None
DMS  A 403 (-4.1A)
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)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.61A18.42
None
PJE  C   5 (-3.7A)
PJE  C   5 (-4.4A)
PJE  C   5 (-3.8A)
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)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.60A18.79
None
PJE  C   5 (-3.7A)
PJE  C   5 (-4.4A)
PJE  C   5 (-3.8A)
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)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.56A19.40
None
PJE  C   5 (-3.7A)
PJE  C   5 (-4.4A)
PJE  C   5 (-3.8A)
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)		7btf NSP12
(SARS-CoV-2)		3 / 3
HIS A  82
GLU A  83
HIS A  75
1.02A17.49
None
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)		7btf NSP12
(SARS-CoV-2)		3 / 3
HIS A 810
GLU A 811
HIS A 816
0.85A9.83
None
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)		7btf NSP12
(SARS-CoV-2)		4 / 6
LEU A 636
GLU A 658
HIS A 572
HIS A 642
1.65A9.55
None
None
None
ZN  A1002 (-3.3A)
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)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.62A18.79
None
DMS  A 402 ( 3.9A)
DMS  A 402 (-4.4A)
DMS  A 402 (-3.9A)
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)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.64A18.42
None
DMS  A 402 ( 3.9A)
DMS  A 402 (-4.4A)
DMS  A 402 (-3.9A)
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)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.58A19.40
None
DMS  A 402 ( 3.9A)
DMS  A 402 (-4.4A)
DMS  A 402 (-3.9A)
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)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
HIS A 810
GLU A 811
HIS A 816
0.87A10.15
None
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)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
HIS A 810
GLU A 811
HIS A 816
0.96A10.15
None