Ligand ID: EDT


Drugbank ID:
DB00974
(Edetic Acid)


Indication:
For the reduction of blood levels and depot stores of lead in lead poisoning (acute and chronic) and lead encephalopathy, in both pediatric populations and adults.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'EDT' 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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER B   1
HIS A 172
GLY A 170
LEU A 141
1.40A23.15
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ASN B 133
THR B 135
ILE B 200
GLU B 240
1.40A19.68
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR A 921
ASN A1168
ILE A1164
GLU A1163
1.70A13.10
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR E  21
ASN D  20
ILE D  16
GLU D  15
1.80A8.19
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		2a5a 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.34A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		2ajf ACE2
(Homo
sapiens)		4 / 8
TYR A 207
MET A 579
TYR A 516
THR A 229
1.48A20.79
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
PRO E 462
THR A  20
ALA A  25
THR A  27
TYR E 475
1.73A16.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		2ajf ACE2
(Homo
sapiens)		4 / 5
TYR A 217
GLU A 224
GLY A 220
SER A 218
1.68A16.25
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		2ajf ACE2
(Homo
sapiens)		4 / 7
TRP A 610
SER A 607
GLY A 486
ARG A 482
1.32A21.64
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		2ajf ACE2
(Homo
sapiens)		4 / 8
TYR A 207
MET A 579
TYR A 516
THR A 229
1.48A20.79
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		2ajf ACE2
(Homo
sapiens)		4 / 8
TYR A 207
MET A 579
TYR A 516
THR A 229
1.44A20.79
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR B 921
ASN D1169
ILE D1165
GLU D1164
1.79A7.00
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ASN A 133
THR A 135
ILE A 200
GLU A 240
1.49A20.22
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER B 147
HIS B 164
GLY B 174
LEU B  27
1.20A22.53
None
None
None
ENB  B1145 (-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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 7
SER C 119
SER C  81
GLY C  80
LEU C  83
1.46A17.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 6
ASN I 105
ARG I 113
ILE I  99
GLU I  66
1.53A15.21
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 7
HIS A   2
GLY A   1
ARG A 113
LEU A  66
1.44A16.36
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.
1NNF_A_EDTA400_0
(IRON-UTILIZATION
PERIPLASMIC PROTEIN)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 11
SER B 163
ALA B 183
ASN B 164
TYR B 103
ARG B 100
1.75A20.49
None
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 11
PRO B 178
THR B 188
GLY B 189
PRO B 191
ASP B 105
1.77A20.00
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
SER D 195
SER D 208
ARG D 150
LEU C 472
1.42A20.98
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		2kqv NSP3
(SARSr-CoV)		5 / 12
PRO A  85
THR A   6
ASN A 123
GLY A 124
ALA A 118
1.70A16.57
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 12
PRO A  74
GLY A  70
PHE A  67
ALA A 135
TYR A  88
1.74A14.59
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 11
PRO A 143
THR A 116
GLY A 117
PRO A 118
ASP A 145
1.70A22.58
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 7
SER A   1
HIS B 172
GLY B 170
LEU B 141
1.50A21.98
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
ASN C  74
THR C 274
ILE C 327
GLU C 326
1.54A23.88
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 12
LYS A 137
THR A 135
ASN A 133
GLY A 195
THR A 199
1.59A20.76
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		2qc2 3C-LIKE PROTEINASE
(-)		4 / 7
SER A 147
HIS A 164
GLY A 174
LEU A  27
1.25A22.32
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 6
ASN A 133
THR A 135
ILE A 200
GLU A 240
1.51A19.96
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		2wct NSP3
(SARSr-CoV)		5 / 12
PRO B 607
THR B 528
ASN B 645
GLY B 646
ALA B 640
1.68A20.27
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
THR A  58
ASN A 210
GLY A 164
ALA A  60
THR A 257
1.62A18.95
 MG  A1296 ( 4.1A)
NA  A1295 (-4.3A)
None
NA  A1295 (-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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
SER A 105
HIS A  69
GLY A  71
LEU A  95
1.33A21.94
None
None
SAH  A1293 (-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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2xyr NSP10
(SARSr-CoV)		4 / 6
ASN B 105
ARG B 113
ILE B  99
GLU B  66
1.73A14.19
None
CL  B1134 (-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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
THR A  58
ASN A 210
GLY A 164
ALA A  60
THR A 257
1.64A19.20
 CL  A1299 (-3.6A)
NA  A1294 (-4.3A)
None
NA  A1294 (-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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
SER A 105
HIS A  69
GLY A  71
LEU A  95
1.30A22.20
None
None
SAH  A1300 (-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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A 147
HIS A 164
GLY A 174
LEU A  27
1.25A23.60
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.42A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3bgf F26G19 FAB
(Mus
musculus)		4 / 8
TYR L  71
MET L   4
ARG L  66
THR L  97
1.63A17.23
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3bgf F26G19 FAB
(Mus
musculus)		4 / 8
TYR L  71
MET L   4
ARG L  66
THR L  97
1.63A17.23
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		3bgf F26G19 FAB
(Mus
musculus)		4 / 8
SER C 131
THR C 180
THR C 178
PRO B 123
1.43A29.84
18.98
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3bgf F26G19 FAB
(Mus
musculus)		4 / 8
TYR L  71
MET L   4
ARG L  66
THR L  97
1.63A17.23
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.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		3d0g ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
TYR F 491
LYS B 353
GLU B  38
GLY F 482
1.62A23.19
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TRP B 610
SER B 607
GLY B 486
ARG B 482
1.27A21.25
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
SER F 461
HIS F 445
GLY F 464
LEU F 443
1.51A16.63
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.
3WFA_B_EDTB802_0
(ALPHA-GLUCOSIDASE)		3d0g ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR A  34
ASP E 393
ASN E 409
TYR E 408
1.52A21.64
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
SER B 128
THR B 129
THR B 125
ILE B  54
1.50A16.09
10.93
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.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
TYR A  41
GLU A  38
GLY E 482
SER E 487
1.66A16.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
PRO E 462
THR A  20
ALA A  25
THR A  27
TYR E 475
1.72A14.75
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
TYR A 207
MET A 579
TYR A 516
THR A 229
1.39A22.66
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
TYR A 207
MET A 579
TYR A 516
THR A 229
1.43A22.66
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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
TYR A 207
MET A 579
TYR A 516
THR A 229
1.43A22.66
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.46A21.25
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		3e9s NSP3
(SARSr-CoV)		4 / 8
LYS A 113
THR A 302
ARG A 285
ILE A 277
1.41A22.58
14.66
OCS  A 112 ( 3.0A)
TTT  A 317 (-3.6A)
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A 147
HIS A 164
GLY A 174
LEU A  27
1.26A22.95
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.35A20.81
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
LYS C  36
THR C  67
THR A  62
ILE A  65
1.43A18.44
22.32
None
None
None
GOL  A 127 ( 4.0A)
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.61A20.76
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.30A20.35
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PRO B 168
THR B 135
ASN B 133
GLY B 195
THR B 169
1.49A19.96
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.55A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		3i6k HLA, A-2
(Homo
sapiens)		4 / 8
THR E 228
THR E 225
ARG E 219
PRO E 250
1.33A22.53
15.42
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
THR D 198
PRO D 132
THR D 201
PRO B 241
ASP B 289
1.72A19.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.36A21.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A   1
HIS B 172
GLY B 170
LEU B 141
1.47A23.15
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ASN A 133
THR A 135
ILE A 200
GLU A 240
1.77A20.44
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
THR A  58
ASN A 210
GLY A 164
ALA A  60
THR A 257
1.61A19.43
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
SER A 105
HIS A  69
GLY A  71
LEU A  95
1.40A23.58
None
None
SAM  A 302 (-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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
TYR A 207
MET A 579
TYR A 516
THR A 229
1.43A22.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
TYR A 207
MET A 579
TYR A 516
THR A 229
1.46A22.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
SER B 128
THR B 129
THR B 125
ILE B  54
1.47A16.09
10.93
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
TYR A 207
MET A 579
TYR A 516
THR A 229
1.46A22.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
TYR A 217
GLU A 224
GLY A 220
SER A 218
1.73A16.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WFA_B_EDTB802_0
(ALPHA-GLUCOSIDASE)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR A  34
ASP E 393
ASN E 409
TYR E 408
1.51A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
SER B 607
HIS B 241
GLY B 486
ARG B 245
1.34A21.35
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
TYR A 116
ARG A  97
TYR A  84
THR A 142
1.67A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
TYR A 116
ARG A  97
TYR A  84
THR A 142
1.68A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
TYR A 116
ARG A  97
TYR A  84
THR A 142
1.68A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER B   1
HIS A 172
GLY A 170
LEU A 141
1.54A21.38
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		4 / 7
SER A 115
SER A 112
HIS A 273
GLY B  76
1.54A21.22
 NA  A 402 (-4.4A)
NA  A 402 (-4.3A)
NHE  A 403 ( 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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.35A21.48
23H  A 401 ( 3.7A)
None
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		4 / 8
TYR B 252
LYS B 253
SER B 213
THR B 211
1.45A21.79
14.66
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 8
ARG B 167
ARG A 167
TYR A 274
THR A 302
1.50A22.07
DMS  A 903 ( 3.7A)
DMS  B 906 (-3.4A)
P85  A 902 (-4.2A)
P85  A 902 (-2.8A)
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 8
ARG B 167
ARG A 167
TYR A 274
THR A 302
1.43A22.07
DMS  A 903 ( 3.7A)
DMS  B 906 (-3.4A)
P85  A 902 (-4.2A)
P85  A 902 (-2.8A)
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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 8
ARG B 167
ARG A 167
TYR A 274
THR A 302
1.43A22.07
DMS  A 903 ( 3.7A)
DMS  B 906 (-3.4A)
P85  A 902 (-4.2A)
P85  A 902 (-2.8A)
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A   1
HIS B 172
GLY B 170
LEU B 141
1.48A22.40
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
ASN D 306
ASN D 422
ILE D 298
GLU D 295
1.52A22.57
G3A  D 606 (-3.1A)
G3A  D 606 ( 3.9A)
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR B 351
LYS B 349
THR B 378
ILE D 298
1.50A18.40
11.40
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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR B 235
ARG B 163
TYR B 124
THR B 122
1.76A20.99
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR B 235
ARG B 163
TYR B 124
THR B 122
1.76A20.99
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR B 235
ARG B 163
TYR B 124
THR B 122
1.74A20.99
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR B 235
ARG B 163
TYR B 124
THR B 122
1.76A20.99
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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR B 235
ARG B 163
TYR B 124
THR B 122
1.74A20.99
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
ASN D 130
THR D 127
ASN D 129
ARG D  52
1.29A22.71
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		5 / 11
GLY E  75
THR D 302
PRO D 300
PRO D 249
ASP D 165
1.51A19.70
AYE  E  76 (-2.4A)
None
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 6
ASN A 306
ASN A 422
ILE A 298
GLU A 295
1.45A22.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		5x4r S PROTEIN
(MERS-CoV)		5 / 12
PRO A  76
ASN A 277
GLY A 276
ARG A 119
ALA A  53
1.42A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NNF_A_EDTA400_0
(IRON-UTILIZATION
PERIPLASMIC PROTEIN)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
GLN B 947
ARG B 982
SER A 556
ASN B 838
TYR B 723
1.73A14.25
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
ASN A 119
THR A 121
ASN A 122
ILE A 164
1.62A16.19
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
SER A 461
HIS A 445
GLY A 464
LEU A 443
1.54A16.44
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
SER C 690
THR C 693
PRO A 774
ILE C 687
1.41A11.72
6.37
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
THR A 236
GLY A 100
PHE A 185
ALA A 233
ARG A 183
1.55A18.60
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		5x5f S PROTEIN
(MERS-CoV)		5 / 12
PRO A  76
ASN A 277
GLY A 276
ARG A 119
ALA A  53
1.42A17.57
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		5x5f S PROTEIN
(MERS-CoV)		4 / 7
SER A 855
SER A 954
GLY A 953
LEU A 964
1.42A16.45
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
THR A 266
GLY A 272
THR A 302
PRO A 249
ASP A 165
1.70A16.89
None
GOL  A 409 (-3.9A)
GOL  A 408 (-3.6A)
GOL  A 408 (-4.4A)
GOL  A 408 (-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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR A 236
GLY A 100
PHE A 185
ALA A 233
ARG A 183
1.56A18.68
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
SER C 690
THR C 693
PRO B 774
ILE C 687
1.34A12.55
6.18
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ASN A 119
THR A 121
ILE A 164
GLU A 162
1.39A16.07
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.
3WFA_B_EDTB802_0
(ALPHA-GLUCOSIDASE)		6acj ACE2
(Homo
sapiens)		4 / 6
TYR D 217
ASP D 206
ASN D 397
TYR D 521
1.58A21.73
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.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
TYR C 677
GLU C 647
GLY C 682
SER C 645
1.72A12.55
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		6acj ACE2
(Homo
sapiens)		4 / 8
TYR D 207
MET D 579
TYR D 516
THR D 229
1.41A19.91
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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		6acj ACE2
(Homo
sapiens)		4 / 8
TYR D 207
MET D 579
TYR D 516
THR D 229
1.42A19.91
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6acj ACE2
(Homo
sapiens)		4 / 7
SER D  47
SER D  43
GLY D  66
LEU D 351
1.38A21.73
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
SER C 461
HIS C 445
GLY C 464
LEU C 443
1.50A16.67
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		6acj ACE2
(Homo
sapiens)		4 / 8
TYR D 207
MET D 579
TYR D 516
THR D 229
1.42A19.91
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.
3WFA_B_EDTB802_0
(ALPHA-GLUCOSIDASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR A 200
ARG A 183
ASP A 171
ASN A  96
1.63A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		6ack ACE2
(Homo
sapiens)		4 / 5
TYR D 217
GLU D 224
GLY D 220
SER D 218
1.48A16.25
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6ack ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
TYR D  41
ARG C 426
PRO C 493
ILE C 489
1.36A16.25
10.93
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		6ack ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 11
THR C 487
GLY D 354
THR D 324
GLY D 326
ARG D 357
1.56A7.33
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		6ack ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 11
THR D 324
GLY D 326
ARG D 357
THR C 487
GLY D 354
1.54A13.17
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.
1NNF_A_EDTA400_0
(IRON-UTILIZATION
PERIPLASMIC PROTEIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
GLN A 947
ARG A 982
SER C 556
ASN A 838
TYR A 723
1.80A13.20
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
THR B 236
GLY B 100
PHE B 185
ALA B 233
ARG B 183
1.50A17.06
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
THR C 863
THR C 865
PRO C 789
ILE C 787
1.38A12.19
6.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ASN A 733
THR A 729
ILE A 975
GLU A 972
1.76A16.87
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
THR A 402
GLY A 400
PRO A 399
PRO A 450
ASP A 414
1.71A7.66
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
THR A 863
THR A 865
PRO A 789
ILE A 787
1.38A12.19
6.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
THR B 236
GLY B 100
PHE B 185
ALA B 233
ARG B 183
1.37A17.29
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
SER B 541
SER B 561
GLY B 552
LEU B 571
1.32A17.60
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.
3WFA_B_EDTB802_0
(ALPHA-GLUCOSIDASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
TYR B 442
ASP B 454
ASN B 409
TYR B 440
1.38A20.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ASN C 119
THR C 121
ASN C 122
ILE C 164
1.35A16.28
NAG  C1302 (-1.8A)
NAG  C1302 (-3.3A)
NAG  C1302 (-3.1A)
NAG  C1302 ( 4.0A)
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.
1NNF_A_EDTA400_0
(IRON-UTILIZATION
PERIPLASMIC PROTEIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
GLN C 947
ARG C 982
SER B 556
ASN C 838
TYR C 723
1.64A13.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6jyt HELICASE
(SARSr-CoV)		4 / 8
TYR A 398
THR A 307
ARG A 303
ILE A 304
1.37A17.02
11.15
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6m17 ACE2
(Homo
sapiens)		4 / 7
TRP B 610
SER B 607
GLY B 486
ARG B 482
1.31A19.58
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		6m17 ACE2
(Homo
sapiens)		4 / 8
TYR D 207
MET D 579
TYR D 516
THR D 229
1.50A21.03
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		6m17 ACE2
(Homo
sapiens)		4 / 8
TYR D 207
MET D 579
TYR D 516
THR D 229
1.53A21.03
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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		6m17 ACE2
(Homo
sapiens)		4 / 8
TYR D 207
MET D 579
TYR D 516
THR D 229
1.53A21.03
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.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		6m18 ACE2
(Homo
sapiens)		4 / 5
TYR D 217
GLU D 224
GLY D 220
SER D 218
1.58A14.36
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
SER A 106
GLY A 102
ARG A  14
LEU A  11
1.45A22.59
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.
4OES_A_EDTA601_0
(NIKA PROTEIN)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
TYR C 177
TRP C 176
TRP C 135
TYR C 139
1.77A22.75
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		6m1d ACE2
SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
THR C 160
PRO D 729
GLY D 732
PRO D 733
ASP D 719
1.76A13.13
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
TYR A 209
THR A 212
THR A 218
PRO A 454
1.45A17.71
10.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WFA_B_EDTB802_0
(ALPHA-GLUCOSIDASE)		6m1d ACE2
(Homo
sapiens)		4 / 6
TYR D 521
ASP D 225
ASN D 578
TYR D 215
1.73A20.88
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PRO B 879
ARG B 887
PHE B 880
ALA B 866
TYR C 689
1.73A16.76
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR A 863
THR A 865
PRO A 789
ILE A 787
1.36A11.56
5.74
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER L  81
SER L  68
GLY L  69
ARG L  59
1.36A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6nus NSP12
(SARSr-CoV)		4 / 8
TYR A 175
THR A 246
THR A 462
ARG A 132
1.47A12.74
7.30
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
THR F 500
ASN F 501
ARG B 357
GLU B  37
1.52A17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
THR A  20
PHE E 486
ALA A  25
THR A  27
TYR E 489
1.73A22.76
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
SER L 131
THR L 180
THR L 178
PRO H 123
1.62A25.40
21.38
None
None
GOL  L 301 (-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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
TYR H  91
THR H 107
THR H   9
PRO H  41
1.67A25.30
20.00
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER L 137
THR L 186
THR L 184
PRO H 127
1.60A32.27
20.91
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER C 137
THR C 186
THR C 184
PRO B 127
1.57A32.27
20.91
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER C  82
SER C  69
GLY C  70
ARG C  60
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER L  82
SER L  69
GLY L  70
ARG L  60
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR B  95
THR B 113
THR B   9
PRO B  41
1.70A27.10
17.94
None
None
MLI  B 304 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  95
THR H 113
THR H   9
PRO H  41
1.70A27.10
17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  95
THR H 113
THR H   9
PRO H  41
1.74A27.10
17.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  32
LYS H   1
SER H 100
THR H 104
1.60A27.10
17.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER L  82
SER L  69
GLY L  70
ARG L  60
1.33A
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER L 137
THR L 186
THR L 184
PRO H 127
1.61A32.27
20.91
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
SER C 137
THR C 186
THR C 184
PRO B 127
1.60A32.27
20.91
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
SER C  82
SER C  69
GLY C  70
ARG C  60
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR B  95
THR B 113
THR B   9
PRO B  41
1.70A27.10
17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR H  95
THR H 113
THR H   9
PRO H  41
1.70A27.10
17.94
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
SER L 137
THR L 186
THR L 184
PRO H 127
1.60A32.27
20.91
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
SER L  82
SER L  69
GLY L  70
ARG L  60
1.28A
None