Ligand ID: SMX


Drugbank ID:
DB01326
(Cefamandole)


Indication:
For the treatment of serious infections caused by susceptible strains of microorganisms.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'SMX' 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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 5
ARG B 131
THR B 199
GLU B 288
GLU B 290
1.59A23.19
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE C1160
THR B 923
THR C 923
GLY C 928
ASP C 932
1.47A18.05
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER K  24
THR I  23
THR K  23
GLY K  28
ASP K  32
1.49A9.43
None
None
None
None
NA  K 205 (-2.5A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 8
LEU A  25
ALA E  86
THR E  89
GLY A  69
1.14A13.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2amq 3C-LIKE
PROTEINASE

(SARSr-CoV;
synthetic
construct)		4 / 8
LEU D   4
ALA B 191
THR B 190
GLY B 174
1.26A5.45
PJE  D   5 ( 4.1A)
02J  D   1 ( 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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.60A23.05
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER C 924
THR B 923
THR C 923
GLY C 928
ASP C 932
1.47A8.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
SER H 313
ASN G 270
THR G 297
GLY G 296
THR G 266
1.45A16.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 136
ASN A 133
THR A 175
ARG A 105
GLY A 183
1.50A23.05
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 8
LEU L  46
ALA L  43
GLY L  57
PRO L  55
1.24A19.79
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
LEU A  76
ALA A 130
GLY C  29
PRO C  34
1.10A21.02
None
SO4  A 320 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 8
LEU N  45
ALA M 104
THR I 101
LYS I  43
1.11A22.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A 286
ARG A 131
THR A 199
GLU A 290
1.74A23.33
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 8
LEU A  65
ARG A  90
ALA A  91
GLY A 171
PRO A 169
1.72A17.60
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
ILE A 252
THR A 211
GLU B 170
GLU A 215
1.71A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 12
ILE A 136
ASN A 142
THR A 196
THR A 169
GLY A 170
1.34A23.08
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
LEU C   5
ALA A 191
THR A 190
GLY A 174
1.27A6.57
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 5
ILE B 106
ARG B 298
THR B 292
GLU B 290
1.68A22.59
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
ILE D  38
THR F  47
GLU D  41
GLU F  91
1.68A21.45
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 206
ALA A  10
TRP A 190
GLY A 185
1.29A20.19
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 206
ALA A  10
TRP A 190
GLY A 185
1.26A20.38
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		4 / 8
LEU H 100
ALA L  51
GLY S 490
PRO H  98
1.31A21.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
ILE A 126
ARG A 115
GLU A 181
GLU A 182
1.63A17.50
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A 106
ARG A 298
THR A 292
GLU A 290
1.79A23.19
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 136
ASN A 142
THR A 196
THR A 169
GLY A 170
1.34A23.19
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3i6k HLA, A-2
(Homo
sapiens)		4 / 8
ALA E 184
THR E 182
GLY A 265
PRO A 267
0.94A21.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 206
ALA A  10
TRP A 190
GLY A 185
1.33A21.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		3sci ACE2
(Homo
sapiens)		4 / 5
ILE B 126
ARG B 115
GLU B 181
GLU B 182
1.68A19.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
ILE B 126
ARG B 115
GLU B 181
GLU B 182
1.66A18.99
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3snd 3C-LIKE PROTEINASE
PEPTIDE ALDEHYDE
INHIBITOR AC-ESTLQ-H
(SARSr-CoV)		4 / 8
LEU C   4
ALA A 191
THR A 190
GLY A 174
1.26A3.03
ECC  C   5 ( 4.4A)
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		3snd 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ARG B 131
THR B 199
GLU B 288
GLU B 290
1.56A22.89
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3vb3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU B  27
ALA B  46
THR B  45
PRO B  39
1.28A22.89
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3vb5 3C-LIKE PROTEINASE
C4Z INHIBITOR
(SARSr-CoV)		4 / 8
LEU F   4
ALA B 191
THR B 190
GLY B 174
1.21A1.13
0JU  F   5 ( 4.1A)
PHQ  F   1 ( 4.7A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3vb6 3C-LIKE PROTEINASE
C6Z INHIBITOR
(SARSr-CoV)		4 / 8
LEU F   6
ALA B 191
THR B 190
GLY B 174
1.26A1.89
0JU  F   7 ( 4.4A)
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		4mm3 PAPAIN-LIKE
PROTEINASE
UBIQUITIN
(Homo
sapiens;
SARSr-CoV)		4 / 5
ILE A  44
ARG A  72
GLU A  51
GLU B 168
1.42A13.99
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
SER A 247
SER A 167
THR A 308
GLY A 248
THR A 249
1.37A22.63
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ILE A 286
ARG A 131
THR A 199
GLU A 290
1.67A22.89
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		4 / 5
ILE F   3
THR F  12
GLU D  71
GLU A  68
1.46A13.58
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		4 / 8
LEU C  71
ALA A 182
THR A 201
GLY C  35
1.25A13.58
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 652
THR A 678
THR A 631
GLY A 634
ASP A 600
1.46A13.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
ARG A  46
ALA A 312
TRP A 253
GLY A 276
1.05A20.80
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		5x59 S PROTEIN
(MERS-CoV)		4 / 8
ARG B  46
ALA B 312
TRP B 253
GLY B 276
1.06A11.33
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE B 674
THR B 588
GLY B 587
THR B 585
GLY B 298
1.45A12.95
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
LEU A 597
ALA A 609
TRP A 619
PRO A 282
1.09A12.95
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
SER B 439
SER B 440
GLY B 578
THR B 579
GLY C  61
1.29A11.33
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6acg ACE2
(Homo
sapiens)		4 / 8
LEU D 440
THR D 276
GLY D 286
PRO D 284
1.14A19.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 674
THR A 588
GLY A 587
THR A 585
GLY A 298
1.37A13.38
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE A 674
THR A 588
GLY A 587
THR A 585
GLY A 298
1.52A12.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ILE C 687
ARG C1089
THR A 869
GLU C1054
1.32A12.93
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
LEU A 224
ARG C 342
THR A 160
GLY A 104
1.32A12.93
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER A 591
SER A 592
THR A 588
GLY A 587
THR A 585
1.28A12.93
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6jyt HELICASE
(SARSr-CoV)		4 / 5
ILE A 370
ARG A 248
THR A 250
GLU A 244
1.70A18.26
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6m17 ACE2
(Homo
sapiens)		4 / 5
ILE B 126
ARG B 115
GLU B 181
GLU B 182
1.75A14.83
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 5
ILE C 522
ARG C  97
GLU C  22
GLU C  25
1.50A17.23
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
LEU C 181
ALA C 399
THR C 396
TRP C 135
1.25A17.23
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER C 703
THR C 705
THR C1048
GLY C1028
GLY B 873
1.49A12.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		4 / 8
LEU H 203
THR H 149
GLY H 153
PRO H 140
1.23A22.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6nur NSP12
(SARSr-CoV)		4 / 5
ILE A 579
ARG A 631
THR A 686
GLU A 658
1.55A14.32
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6nur NSP7
NSP8
(SARSr-CoV)		5 / 12
ILE D 106
SER C  54
ASN D 100
ARG D 190
ASP D 101
1.39A22.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H 189
THR H 135
GLY H 139
PRO H 126
1.28A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H   4
ALA H  71
THR H  77
GLY H  28
1.61A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H   4
ALA H  71
THR H  77
GLY H  26
1.74A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
LEU H  45
ALA H  88
GLY H 104
PRO L  44
1.64A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
ILE H  98
SER H  96
THR H  31
GLY H  94
GLY H  35
1.60A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA L  34
TRP H 103
GLY H 104
PRO L  43
1.71A21.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
LEU B  18
ALA B 118
THR B  91
GLY B   8
1.24A
None
None
None
MLI  H 305 (-3.2A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
LEU H 193
THR H 139
GLY H 143
PRO H 130
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ILE H  20
THR H  91
THR H 116
THR H   9
GLY H   8
1.79A21.09
None