Ligand ID: CRN


Drugbank ID:
DB00148
(Creatine)


Indication:
For nutritional supplementation, also for treating dietary shortage or imbalance.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CRN' AND SARS-RELATED PROTEINS ONLY

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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLU B 166
HIS B 172
TYR B 118
HIS B 163
1.62A22.61
ATO  B2006 (-3.7A)
None
None
ATO  B2006 ( 4.6A)
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)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLU B 166
HIS B 172
TYR B 118
HIS B 163
1.63A22.61
ATO  B2006 (-3.7A)
None
None
ATO  B2006 ( 4.6A)
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)		1x7q HLA, A-11
(Homo
sapiens)		4 / 8
HIS A   3
ASP A  29
TYR A 171
TRP A  51
1.61A21.55
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		1x7q HLA, A-11
(Homo
sapiens)		4 / 8
HIS A   3
ASP A  29
TYR A 171
TRP A  51
1.63A21.79
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 6
THR D  14
VAL D  16
LEU D  60
SER D  20
1.76A14.02
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR S 509
VAL S 510
GLU S 502
SER S 346
1.78A19.47
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
THR A 111
VAL A 108
CYH A  41
SER A  72
1.60A15.00
None
None
GOL  A 301 (-3.0A)
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 6
THR J 111
VAL J 108
CYH J  41
SER J  72
1.63A17.13
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
THR C 174
VAL C 172
LEU C 167
SER C 171
1.56A23.24
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP D 239
HIS D 234
TYR D 237
HIS D 249
1.69A22.44
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
THR E 174
VAL E 172
LEU E 167
SER E 171
1.56A23.43
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
THR A  82
VAL A  84
LEU A  89
CYH A  51
1.54A21.94
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2xyr NSP10
(SARSr-CoV)		4 / 6
THR B 111
VAL B 108
CYH B  41
SER B  72
1.62A14.59
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
THR A  82
VAL A  84
LEU A  89
CYH A  51
1.53A21.94
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		2xyv NSP10
(SARSr-CoV)		4 / 6
THR B 111
VAL B 108
CYH B  41
SER B  72
1.63A14.59
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
GLU B 375
HIS B 378
HIS B 374
GLU B 402
1.19A19.56
 ZN  B 901 (-4.0A)
ZN  B 901 (-3.4A)
ZN  B 901 (-3.5A)
ZN  B 901 (-2.3A)
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
GLU B 402
HIS B 374
HIS B 378
GLU B 375
0.92A19.39
 ZN  B 901 (-2.8A)
ZN  B 901 (-3.8A)
ZN  B 901 (-3.8A)
ZN  B 901 (-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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
GLU B 402
HIS B 374
HIS B 378
GLU B 375
0.94A19.39
 ZN  B 901 (-2.8A)
ZN  B 901 (-3.8A)
ZN  B 901 (-3.8A)
ZN  B 901 (-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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
THR D 109
VAL D 110
LEU C 112
SER C   5
1.79A17.46
None
None
GOL  C 125 (-4.0A)
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
THR A  35
VAL A  36
LEU A  86
CYH A  38
1.69A21.59
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		3i6l HLA, A-24
(Homo
sapiens)		4 / 8
HIS D   3
ASP D  29
TYR D 171
TRP D  51
1.63A21.28
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		3i6l HLA, A-24
(Homo
sapiens)		4 / 8
HIS D   3
ASP D  29
TYR D 171
TRP D  51
1.61A21.62
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
THR D  25
VAL D  42
LEU D  27
CYH D  38
1.70A21.84
010  E   6 ( 4.0A)
None
PJE  E   5 ( 4.1A)
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
THR A  35
VAL A  36
LEU A  86
CYH A  38
1.75A21.59
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
THR A  82
VAL A  84
LEU A  89
CYH A  51
1.56A22.03
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		3r24 NSP10 AND NSP11
(SARSr-CoV)		4 / 6
THR B 111
VAL B 108
CYH B  41
SER B  72
1.63A15.80
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		3sci ACE2
(Homo
sapiens)		4 / 7
GLU B 402
HIS B 374
HIS B 378
GLU B 375
0.96A18.97
 ZN  B 901 (-2.2A)
ZN  B 901 (-3.4A)
ZN  B 901 (-3.5A)
ZN  B 901 (-3.4A)
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)		3sci ACE2
(Homo
sapiens)		4 / 8
GLU A 402
HIS A 374
HIS A 378
GLU A 375
1.00A18.97
 ZN  A 901 (-2.2A)
ZN  A 901 (-3.3A)
ZN  A 901 (-3.4A)
ZN  A 901 (-3.5A)
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)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
GLU A 375
HIS A 378
HIS A 374
GLU A 402
1.07A19.39
 ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.3A)
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
GLU A 402
HIS A 374
HIS A 378
GLU A 375
0.96A19.22
 ZN  A 901 (-2.8A)
ZN  A 901 (-3.5A)
ZN  A 901 (-3.5A)
ZN  A 901 (-3.7A)
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)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
GLU A 402
HIS A 374
HIS A 378
GLU A 375
0.98A19.22
 ZN  A 901 (-2.8A)
ZN  A 901 (-3.5A)
ZN  A 901 (-3.5A)
ZN  A 901 (-3.7A)
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)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
HIS A   3
ASP A  29
TYR A 171
TRP A  51
1.52A21.05
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
HIS A   3
ASP A  29
TYR A 171
TRP A  51
1.50A21.38
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
THR A 304
VAL A 303
GLU B 166
SER A 301
1.74A21.84
None
None
3A7  B 401 (-4.1A)
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
HIS D 486
TYR D 491
HIS D 487
GLU D 490
1.60A19.04
None
None
ZN  D 603 (-3.0A)
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
HIS D 486
TYR D 491
HIS D 487
GLU D 490
1.65A19.04
None
None
ZN  D 603 (-3.0A)
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
HIS D 486
TYR D 491
HIS D 487
GLU D 490
1.67A19.04
None
None
ZN  D 603 (-3.0A)
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		5c8t NSP10
(SARSr-CoV)		4 / 6
THR A 111
VAL A 108
CYH A  41
SER A  72
1.67A16.75
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
HIS D 486
TYR D 491
HIS D 487
GLU D 490
1.69A18.83
None
None
ZN  D 603 (-2.9A)
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
HIS D 486
TYR D 491
HIS D 487
GLU D 490
1.72A18.83
None
None
ZN  D 603 (-2.9A)
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
HIS D 486
TYR D 491
HIS D 487
GLU D 490
1.63A18.83
None
None
ZN  D 603 (-2.9A)
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		4 / 7
HIS F  68
HIS D  74
TYR D  73
GLU D  71
1.77A14.29
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		4 / 8
HIS F  68
HIS D  74
TYR D  73
GLU D  71
1.77A14.29
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		4 / 8
HIS F  68
HIS D  74
TYR D  73
GLU D  71
1.73A14.29
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 6
THR D  25
VAL D  29
LEU D  27
GLU D   2
1.71A22.02
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 6
THR M  12
VAL M  13
LEU A   7
GLU M   6
1.73A16.31
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
HIS D 486
TYR D 491
HIS D 487
GLU D 490
1.51A18.62
None
None
ZN  D 603 (-3.8A)
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
HIS D 486
TYR D 491
HIS D 487
GLU D 490
1.53A18.62
None
None
ZN  D 603 (-3.8A)
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
HIS A 486
TYR A 491
HIS A 487
GLU A 490
1.54A18.62
None
None
ZN  A 603 (-3.3A)
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		4 / 6
THR A 145
VAL A 146
GLU B 204
SER A 123
1.46A14.29
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR A  34
VAL A  66
LEU A 209
GLU A 184
1.37A21.83
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
THR A  34
VAL A  66
LEU A 209
GLU A 184
1.51A15.97
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		5x5c S PROTEIN
(MERS-CoV)		4 / 6
THR C 948
VAL C1128
LEU C 952
SER C 888
1.64A14.31
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR C  34
VAL C  66
LEU C 209
GLU C 184
1.21A15.75
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		6ack ACE2
(Homo
sapiens)		4 / 8
GLU D 402
HIS D 374
HIS D 378
GLU D 375
0.95A19.15
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
THR A  34
VAL A  66
LEU A 209
GLU A 184
1.34A16.14
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		6cs2 ACE2
(Homo
sapiens)		4 / 7
GLU D 402
HIS D 374
HIS D 378
GLU D 375
1.01A18.97
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		6cs2 ACE2
(Homo
sapiens)		4 / 8
GLU D 375
HIS D 378
HIS D 374
GLU D 402
1.32A19.15
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		6cs2 ACE2
(Homo
sapiens)		4 / 8
GLU D 402
HIS D 374
HIS D 378
GLU D 375
1.01A18.97
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 6
THR A 190
VAL A 189
LEU A 201
GLU A 254
1.69A20.62
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
HIS A   3
ASP A  29
TYR A 171
TRP A  51
1.58A23.45
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
HIS A   3
ASP A  29
TYR A 171
TRP A  51
1.57A23.78
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6jyt HELICASE
(SARSr-CoV)		4 / 6
VAL A 558
LEU A 581
GLU A 551
CYH A 556
1.53A20.36
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		6lzg ACE2
(Homo
sapiens)		4 / 7
GLU A 402
HIS A 374
HIS A 378
GLU A 375
0.80A18.97
 ZN  A 704 (-2.1A)
ZN  A 704 (-3.3A)
ZN  A 704 (-3.3A)
ZN  A 704 ( 4.3A)
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		6lzg ACE2
(Homo
sapiens)		4 / 8
GLU A 375
HIS A 378
HIS A 374
GLU A 402
1.25A19.15
 ZN  A 704 ( 4.3A)
ZN  A 704 (-3.3A)
ZN  A 704 (-3.3A)
ZN  A 704 (-2.1A)
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		6lzg ACE2
(Homo
sapiens)		4 / 8
GLU A 375
HIS A 378
HIS A 374
GLU A 402
1.25A18.97
 ZN  A 704 ( 4.3A)
ZN  A 704 (-3.3A)
ZN  A 704 (-3.3A)
ZN  A 704 (-2.1A)
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		6m17 ACE2
(Homo
sapiens)		4 / 8
GLU D 375
HIS D 378
HIS D 374
GLU D 402
1.25A15.73
 ZN  D 914 (-4.2A)
ZN  D 914 (-3.5A)
ZN  D 914 (-3.4A)
ZN  D 914 (-2.4A)
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)		6m17 ACE2
(Homo
sapiens)		4 / 8
GLU D 375
HIS D 378
HIS D 374
GLU D 402
1.27A16.06
 ZN  D 914 (-4.2A)
ZN  D 914 (-3.5A)
ZN  D 914 (-3.4A)
ZN  D 914 (-2.4A)
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)		6m18 ACE2
(Homo
sapiens)		4 / 7
GLU D 402
HIS D 374
HIS D 378
GLU D 375
1.02A16.06
 ZN  D 914 (-4.0A)
None
ZN  D 914 ( 4.6A)
ZN  D 914 (-3.4A)
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)		6nur NSP12
(SARSr)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.40A14.55
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6nur NSP12
(SARSr-CoV)		4 / 6
VAL A 609
LEU A 805
CYH A 765
SER A 754
1.11A16.51
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		6nur NSP12
(SARSr)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.42A14.55
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		6nus NSP12
(SARSr-CoV)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.42A14.55
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6nus NSP12
NSP8
(SARSr-CoV)		4 / 6
THR B  84
VAL B  83
LEU A 372
SER A 518
1.54A18.39
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		6nus NSP12
(SARSr-CoV)		4 / 7
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.41A14.55
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		6nus NSP12
(SARSr-CoV)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.40A14.55
None