Ligand ID: AIC


Drugbank ID:
DB00415
(Ampicillin)


Indication:
For treatment of infection (Respiratory, GI, UTI and meningitis) due to E. coli, P. mirabilis, enterococci, Shigella, S. typhosa and other Salmonella, nonpenicillinase-producing N. gononhoeae, H. influenzae, staphylococci, streptococci including streptoc

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AIC' 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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.54A17.89
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		3 / 3
PRO B 168
PHE B 185
ALA B 194
1.01A21.47
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ARG B   4
TYR A 126
ASP A 295
GLU A 288
1.67A21.37
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.74A21.29
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU A 941
ASN A 942
ASN C 937
LEU A 944
LEU B 944
1.52A15.67
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1yo4 HYPOTHETICAL PROTEIN
X4
(SARSr-CoV)		4 / 8
ARG A  63
GLU A  77
GLN A  79
SER A  66
1.48A9.73
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLU B1166
HIS B1163
SER B1144
TYR B1118
1.44A18.38
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO B1168
PHE B1185
ALA B1194
0.86A22.31
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 11
THR K  23
LEU J  19
ARG J  18
ASN J  20
LEU J  26
1.44A18.95
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 8
ARG A   4
TYR B 126
ASP B 295
GLU B 288
1.74A21.97
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.91A21.20
None
AZP  A 307 (-3.9A)
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
GLN G  93
LEU C  76
PHE G  97
ASN C  74
ALA G 115
1.70A20.64
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2ajf ACE2
(Homo
sapiens)		5 / 11
GLY B 268
LEU B 266
LEU B 156
LEU B 248
LEU B 278
1.56A20.75
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2ajf ACE2
(Homo
sapiens)		4 / 8
ARG B 219
TYR B 202
GLU B 208
GLN B 102
1.53A19.97
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 205
LEU A 268
1.47A22.84
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.81A20.79
9IN  A1001 ( 4.2A)
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ARG A   4
TYR B 126
ASP B 295
GLU B 288
1.66A21.91
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
THR B 923
LEU D1168
ARG D1167
ASN D1169
LEU D1175
1.41A7.85
None
None
None
None
ACE  B 913 ( 4.9A)
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
LEU D 353
PHE D 287
ASN D 350
ALA D 306
TRP D 302
1.77A20.26
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		3 / 3
ALA H 274
ARG H 260
LYS G 339
1.77A17.31
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 4
LYS H 262
ALA G 314
PHE G 316
GLY G 317
1.36A8.32
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		3 / 3
ALA E  58
ARG E  59
LYS B   9
1.18A20.67
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR B 126
HIS B 163
SER B 144
TYR B 118
1.53A18.20
None
ENB  B1145 (-3.7A)
ENB  B1145 (-3.7A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
(Homo
sapiens)		6 / 12
TYR L  36
GLN L  89
PHE L  98
VAL H  37
ALA H  93
TRP H 103
0.72A33.84
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 4
LYS C  45
ALA B 103
PHE B 133
GLY B 134
1.53A9.80
None
None
APR  B 477 (-3.5A)
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 11
GLY A  71
THR A  68
LEU A 111
LEU A  66
LEU A  66
1.40A15.86
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 11
LEU A  66
LEU A  66
GLY A  71
THR A  68
LEU A 111
1.39A15.86
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 11
LEU A  96
GLY A  38
LEU A   7
ARG A 108
LEU A   5
1.37A15.86
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 11
GLY A  71
THR A  68
ASN A 115
LEU A  66
LEU A  66
1.19A15.86
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 11
LEU A  66
LEU A  66
GLY A  71
THR A  68
ASN A 115
1.25A15.86
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU C 374
ASN C 375
LEU E 377
LEU E 421
LEU E 499
1.57A19.15
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
TYR A 436
ARG B 223
ASP A 393
ARG B 100
1.77A23.65
None
None
None
CL  A 246 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 9
TYR C 494
GLY C 391
TYR D  32
SER D  30
ARG D  72
1.60A19.83
None
None
CL  C  20 ( 4.1A)
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		6 / 12
TYR D 168
GLN D 221
PHE D 230
VAL D  37
ALA D  97
TRP D 107
0.62A34.91
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLU A 240
LEU A 242
ASN A 231
LEU A 268
LEU A 202
1.50A22.76
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.58A17.89
None
AZP  A 401 (-3.9A)
AZP  A 401 (-3.4A)
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		3 / 3
PRO A 157
PHE A 176
ALA A 160
0.81A22.91
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 8
GLU B 166
HIS B 163
SER B 144
TYR B 118
1.57A17.18
WR1  B 602 (-3.6A)
WR1  B 602 ( 4.9A)
WR1  B 602 (-3.1A)
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 8
ARG A   4
TYR B 126
ASP B 295
GLU B 288
1.78A21.35
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
PRO A 157
PHE A 176
ALA A 160
0.82A22.85
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
ARG A   4
TYR B 126
ASP B 295
GLU B 288
1.71A21.97
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.93A21.29
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
TYR B 126
HIS B 163
SER B 144
TYR B 118
1.57A18.10
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 8
ARG A   4
TYR B 126
ASP B 295
GLU B 288
1.71A22.47
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.45A18.37
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 205
LEU A 268
1.48A23.80
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		2qc2 3C-LIKE PROTEINASE
(-)		3 / 3
PRO B 168
PHE B 185
ALA B 194
0.81A20.79
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 205
LEU A 268
1.47A22.98
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
PRO A 157
PHE A 176
ALA A 160
0.80A22.85
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		3 / 3
PRO B 168
PHE B 185
ALA B 194
0.93A20.63
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
ARG B   4
TYR A 126
ASP A 295
GLU A 288
1.72A20.79
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.60A18.88
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ARG A   4
TYR B 126
ASP B 295
GLU B 288
1.79A21.08
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.70A22.31
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3bgf F26G19 FAB
(Mus
musculus)		5 / 11
THR H 167
SER L 176
LEU H 143
LEU H 154
LEU H 179
1.58A21.51
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		4 / 8
ARG C  46
TYR C  49
ASP A 392
GLU B  95
1.77A18.66
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
ARG B 518
TYR B 515
ARG B 273
ASP B 367
1.43A21.11
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
PHE A 525
ASN A 572
VAL A 574
ASN A 556
ALA A 569
1.79A16.05
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.
3KP3_B_AICB2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ASN B 397
THR B 517
LEU B 520
GLN B 524
ASN B 578
1.46A15.08
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.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 9
TYR A 199
GLY A 200
PHE A 464
ASP A 509
TYR A 510
1.77A19.77
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
GLY B 268
LEU B 266
LEU B 156
LEU B 248
LEU B 278
1.56A20.85
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.60A17.78
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO B 168
PHE B 185
ALA B 194
0.92A21.28
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.54A17.81
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO B 168
PHE B 185
ALA B 194
0.95A21.28
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLU A 240
LEU A 242
ASN A 231
LEU A 268
LEU C 202
1.38A19.06
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 205
LEU A 268
1.48A22.76
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLU A 240
LEU A 242
ASN A 231
LEU A 268
LEU A 202
1.50A22.76
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ARG A   4
TYR B 126
ASP B 295
GLU B 288
1.59A21.07
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.73A22.05
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLU B 240
LEU B 242
ASN B 231
LEU B 268
LEU B 202
1.56A22.84
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
LYS B 144
ALA B 140
PHE A   3
GLY B 138
1.76A14.90
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.80A21.78
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 205
LEU A 268
1.50A23.08
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		3i6g HLA, A-2
(Homo
sapiens)		4 / 8
ARG D 169
ARG D 108
GLU A 161
ARG A 108
1.47A20.60
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		4 / 8
TYR A 159
HIS A  70
SER C   5
TYR C   6
1.50A19.42
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		4 / 8
TYR E  26
TYR E  10
GLU D 232
SER E  61
1.33A9.74
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLU A 240
LEU A 242
ASN A 231
LEU A 268
LEU A 202
1.51A23.02
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.62A18.05
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3sci ACE2
(Homo
sapiens)		5 / 11
GLY A 268
LEU A 266
LEU A 156
LEU A 248
LEU A 278
1.46A20.75
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		3scj ACE2
(Homo
sapiens)		5 / 12
PHE A 525
ASN A 572
VAL A 574
ASN A 556
ALA A 569
1.74A15.59
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TYR A 587
GLN A 442
TYR A 279
PHE A 588
ASN A 437
1.76A16.89
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.
3KP3_B_AICB2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ASN B 397
THR B 517
LEU B 520
GLN B 524
ASN B 578
1.59A15.08
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
GLY A 268
LEU A 266
LEU A 156
LEU A 248
LEU A 278
1.54A21.01
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.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 9
TYR B 199
GLY B 200
PHE B 464
ASP B 509
TYR B 510
1.77A19.58
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.52A17.37
ECC  H   5 ( 4.7A)
ECC  H   5 ( 4.1A)
ECC  H   5 ( 3.5A)
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3snb 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 205
LEU A 268
1.47A22.90
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3snc 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.45A18.10
ECC  H   5 ( 3.9A)
ECC  H   5 ( 3.9A)
ECC  H   5 ( 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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ARG B   4
TYR A 126
ASP A 295
GLU A 288
1.78A21.57
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.99A22.73
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
ALA A 140
ARG A 141
LYS A 127
1.69A18.90
None
NHE  A 404 (-3.7A)
NHE  A 404 ( 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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.49A17.34
23H  A 401 (-3.8A)
23H  A 401 (-4.1A)
23H  A 401 ( 3.7A)
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		6 / 11
THR A 119
LEU A 170
ARG A 168
SER A 247
LEU A 120
LEU A 123
1.73A22.70
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.53A17.25
3A7  A 401 (-4.0A)
3A7  A 401 (-4.1A)
3A7  A 401 (-3.5A)
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.
3KP3_B_AICB2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
GLN B 299
GLU A 166
SER A 139
ARG B   4
1.54A18.63
None
None
3A7  A 401 (-4.0A)
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 205
LEU A 268
1.51A23.16
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ARG A   4
TYR B 126
ASP B 295
GLU B 288
1.79A20.22
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO B 168
PHE B 185
ALA B 194
0.93A24.03
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLU B 166
HIS B 163
SER B 144
TYR B 118
1.48A19.36
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.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 9
TYR B 368
PHE B 384
ASP B 331
SER D 307
ARG D 310
1.79A22.43
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
LYS B 362
TYR B 361
ASP D 449
GLU D 345
1.67A21.11
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 8
TYR D  51
ARG D  52
GLN D  22
HIS C  80
1.62A20.29
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
ARG C 525
HIS C 487
SER C 448
TYR C 447
1.54A20.49
None
ZN  C 603 (-3.8A)
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		4 / 8
GLU B 204
GLN B 233
HIS A 149
SER A 123
1.25A16.95
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		3 / 3
ALA B  40
ARG B  83
LYS A 132
1.64A18.32
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY B  39
THR B  91
LEU B  88
ASN B 147
ASN B  14
1.55A23.37
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ALA B 754
ARG B 758
LYS A 929
1.68A8.67
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TYR B 660
TYR B 646
GLU B 593
SER B 591
1.48A20.20
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLN C1018
ASN C 889
VAL C 893
ALA C 885
TRP C 868
1.59A12.35
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
PRO A 774
PHE A 784
ALA A 864
0.70A15.08
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
ARG A1021
GLU A1013
GLN A1018
SER C1019
1.37A20.19
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
ALA C 754
ARG C 758
LYS B 929
1.31A8.74
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
TYR C 383
ARG C 342
GLU A 162
ARG C 453
1.79A15.16
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5x5c S PROTEIN
(MERS-CoV)		5 / 11
THR A  70
GLU A 352
SER B 829
LEU A 347
LEU A 324
1.59A13.99
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU B 986
ARG B 982
LEU B 840
LEU B 745
LEU B 749
1.46A17.72
LEU  B 986 ( 0.6A)
ARG  B 982 ( 0.6A)
LEU  B 840 ( 0.6A)
LEU  B 745 ( 0.5A)
LEU  B 749 ( 0.6A)
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.
3KP3_B_AICB2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
GLU B 502
ASN B 347
THR B 509
GLN B 550
ASN B 505
1.79A8.67
GLU  B 502 ( 0.6A)
ASN  B 347 ( 0.6A)
THR  B 509 ( 0.8A)
GLN  B 550 ( 0.6A)
ASN  B 505 ( 0.6A)
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PRO C 774
PHE C 784
ALA C 864
0.98A16.03
PRO  C 774 ( 1.1A)
PHE  C 784 ( 1.3A)
ALA  C 864 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
TYR A 297
ARG A 285
GLU A 264
SER A 116
1.60A18.99
None
None
None
NA  A 403 (-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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR B 352
LEU B 499
PHE B 501
VAL B 369
ALA B 371
1.58A12.74
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ARG B1001
GLU C 999
GLN C 936
SER C1003
1.58A20.20
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PRO C 774
PHE C 784
ALA C 864
0.77A16.03
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
LYS C 323
ALA C 350
PHE C 316
GLY C 512
1.75A22.99
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU A 986
ARG A 982
LEU A 840
LEU A 745
LEU A 749
1.37A17.72
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TYR C  53
ARG C  48
GLU C  45
ARG A 553
1.56A15.44
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ack ACE2
(Homo
sapiens)		4 / 8
ARG D 219
TYR D 202
GLU D 208
GLN D 102
1.52A20.66
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ALA C  91
ARG C 183
LYS C 198
1.39A8.67
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ARG C1021
GLU C1013
GLN C1018
SER B1019
1.61A20.58
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
PRO A 774
PHE A 784
ALA A 864
0.92A14.86
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
LEU B 986
ARG B 982
LEU B 840
LEU B 745
LEU B 749
1.59A16.36
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ALA B  91
ARG B 183
LYS B 198
1.05A9.25
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ARG A1021
GLU A1013
GLN A1018
SER C1019
1.45A20.16
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.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
TYR C 436
GLY C 434
ASP C 480
TYR C 440
SER C 336
1.70A16.27
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6cs2 ACE2
(Homo
sapiens)		4 / 8
ARG D 219
TYR D 202
GLU D 208
GLN D 102
1.50A20.90
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
LEU B 986
ARG B 982
LEU B 840
LEU B 745
LEU B 749
1.43A17.55
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
PRO A 774
PHE A 784
ALA A 864
0.81A16.13
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 11
GLY A 112
LEU A 126
ASN A 127
LEU A 156
LEU A 160
1.44A20.42
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
TYR A  59
ARG A  62
GLU A  63
TYR A 159
1.36A19.10
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6jyt HELICASE
(SARSr-CoV)		5 / 11
GLY A  17
THR B  58
LEU B  41
ARG B  22
LEU A  43
1.50A23.00
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.
3KP3_B_AICB2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		6lzg ACE2
(Homo
sapiens)		5 / 10
ASN A 397
THR A 517
LEU A 520
GLN A 524
ASN A 578
1.52A15.08
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.
3KP3_B_AICB2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		6m0j ACE2
(Homo
sapiens)		5 / 10
ASN A 397
THR A 517
LEU A 520
GLN A 524
ASN A 578
1.47A15.08
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.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		6m0j ACE2
(Homo
sapiens)		5 / 9
TYR A 199
GLY A 200
PHE A 464
ASP A 509
TYR A 510
1.77A19.12
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
TYR C 128
TYR C 578
LEU C 484
VAL C 589
ALA C 489
1.79A17.33
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6m17 ACE2
(Homo
sapiens)		5 / 11
GLY B 268
LEU B 266
LEU B 156
LEU B 248
LEU B 278
1.56A16.95
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
GLY C 470
THR C 474
LEU C 468
LEU C 198
LEU C 201
1.42A21.75
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.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		6m1d ACE2
(Homo
sapiens)		5 / 9
TYR D 199
GLY D 200
PHE D 464
ASP D 509
TYR D 510
1.62A18.23
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m1d ACE2
(Homo
sapiens)		4 / 8
TYR D 515
ARG D 514
TYR D 516
GLU D 402
1.40A20.90
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		6m1d ACE2
(Homo
sapiens)		4 / 8
TYR D 649
ARG D 710
GLU B 634
ARG B 716
1.68A18.73
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PRO B 774
PHE B 784
ALA B 864
0.77A14.70
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ARG B1021
GLU B1013
GLN B1018
SER C1019
1.37A20.50
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU B 986
ARG B 982
LEU B 840
LEU B 745
LEU B 749
1.56A15.93
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLN A 987
TYR A 723
LEU A 986
PHE A 741
ALA A 748
1.70A12.60
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		3 / 3
PRO H 216
PHE H 160
ALA H 124
0.84A22.19
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6nur NSP12
(SARSr-CoV)		5 / 12
TYR A 748
PHE A 745
VAL A 700
ASN A 705
ALA A 777
1.38A12.83
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6nus NSP12
(SARSr-CoV)		4 / 4
LYS A 500
ALA A 512
PHE A 506
GLY A 510
1.63A21.21
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.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		6vw1 ACE2
(Homo
sapiens)		5 / 9
TYR B 199
GLY B 200
PHE B 464
ASP B 509
TYR B 510
1.75A19.30
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		7 / 12
TYR L  36
GLN L  89
PHE L  98
TRP H  33
VAL H  37
ALA H  93
TRP H 103
0.78A37.10
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  91
GLU H  46
SER H  62
1.69A13.12
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  91
GLU H  46
SER H  62
1.69A13.12
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  91
GLU H  46
SER H  62
1.70A13.12
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  91
GLU H  46
SER H  62
1.68A13.12
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG B  38
TYR B  95
GLU B  46
SER B  63
1.74A
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
LEU B  18
LEU B  86
GLY B  15
GLU B  16
ASN H 203
1.74A19.00
None
None
None
DMS  H 302 (-3.6A)
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
PRO B 206
PHE B 150
ALA B 118
1.07A
None
MLI  B 301 ( 4.1A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		7 / 12
TYR C  42
GLN C  95
PHE C 104
TRP B  33
VAL B  37
ALA B  97
TRP B 109
0.78A42.35
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG B  38
TYR B  95
GLU B  46
SER B  63
1.72A
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.75A
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
GLY B  15
GLU B  16
ASN H 203
LEU B  18
LEU B  86
1.73A19.00
None
DMS  H 302 (-3.6A)
None
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.74A
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
LEU B  18
LEU B  86
GLY B  15
GLU B  16
ASN H 203
1.75A
None
None
None
DMS  H 302 (-3.6A)
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
GLY B  15
GLU B  16
ASN H 203
LEU B  18
LEU B  86
1.74A
None
DMS  H 302 (-3.6A)
None
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.74A
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG B  38
TYR B  95
GLU B  46
SER B  63
1.74A
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		7 / 12
TYR L  42
GLN L  95
PHE L 104
TRP H  33
VAL H  37
ALA H  97
TRP H 109
0.82A42.35
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG B  38
TYR B  95
GLU B  46
SER B  63
1.73A
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.73A
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.71A
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.70A
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.71A
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.70A
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		7 / 12
TYR L  42
GLN L  95
PHE L 104
TRP H  33
VAL H  37
ALA H  97
TRP H 109
0.82A42.35
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		7 / 12
TYR L  42
GLN L  95
PHE L 104
TRP H  33
VAL H  37
ALA H  97
TRP H 109
0.80A42.35
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.73A
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ARG B  38
TYR B  95
GLU B  46
SER B  63
1.75A
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		7 / 12
TYR C  42
GLN C  95
PHE C 104
TRP B  33
VAL B  37
ALA B  97
TRP B 109
0.82A42.35
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ARG B  38
TYR B  95
GLU B  46
SER B  63
1.75A
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.73A
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.74A
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ARG H  38
TYR H  95
GLU H  46
SER H  63
1.74A
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
PRO H 206
PHE H 150
ALA H 118
1.14A
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ARG B  38
TYR B  95
GLU B  46
SER B  63
1.73A
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ARG B  38
TYR B  95
GLU B  46
SER B  63
1.73A
None