SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CO3'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View 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.
1DFO_A_FFOA1002_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 12 GLY A 127
LEU A  66
SER A 125
ALA A 126
SER A 181
 CO3  A 700 (-3.9A)
None
CO3  A 700 ( 4.5A)
CO3  A 700 (-3.4A)
None
 1.16A 1dfoA-1jnfA:
undetectable		 1dfoA-1jnfA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_C_FFOC3002_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 12 GLY A 127
LEU A  66
SER A 125
ALA A 126
SER A 181
 CO3  A 700 (-3.9A)
None
CO3  A 700 ( 4.5A)
CO3  A 700 (-3.4A)
None
 1.15A 1dfoC-1jnfA:
undetectable		 1dfoC-1jnfA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_D_FFOD4293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 12 GLY A 127
LEU A  66
SER A 125
ALA A 126
SER A 181
 CO3  A 700 (-3.9A)
None
CO3  A 700 ( 4.5A)
CO3  A 700 (-3.4A)
None
 1.16A 1eqbD-1jnfA:
undetectable		 1eqbD-1jnfA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  49
HIS A 167
GLU A 140
LYS A  52
VAL A 134
 None
CO3  A1902 (-3.8A)
CO3  A1902 ( 3.6A)
None
None
 1.37A 1j36A-1kphA:
undetectable		 1j36A-1kphA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1l1e MYCOLIC ACID
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  49
HIS A 167
GLU A 140
HIS A 141
LYS A  52
 None
CO3  A 903 (-3.9A)
CO3  A 903 (-3.1A)
SAH  A 900 ( 4.8A)
SAH  A 900 ( 4.7A)
 1.48A 1j36A-1l1eA:
undetectable		 1j36A-1l1eA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1tpy METHOXY MYCOLIC ACID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  49
HIS A 167
GLU A 140
LYS A  52
VAL A 134
 None
CO3  A 902 (-3.9A)
CO3  A 902 ( 3.3A)
SAH  A1900 ( 4.8A)
None
 1.37A 1j36A-1tpyA:
undetectable		 1j36A-1tpyA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  49
HIS A 167
GLU A 140
LYS A  52
VAL A 134
 None
CO3  A1902 (-3.8A)
CO3  A1902 ( 3.6A)
None
None
 1.37A 1j36B-1kphA:
undetectable		 1j36B-1kphA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1l1e MYCOLIC ACID
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  49
HIS A 167
GLU A 140
HIS A 141
LYS A  52
 None
CO3  A 903 (-3.9A)
CO3  A 903 (-3.1A)
SAH  A 900 ( 4.8A)
SAH  A 900 ( 4.7A)
 1.48A 1j36B-1l1eA:
undetectable		 1j36B-1l1eA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1tpy METHOXY MYCOLIC ACID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  49
HIS A 167
GLU A 140
LYS A  52
VAL A 134
 None
CO3  A 902 (-3.9A)
CO3  A 902 ( 3.3A)
SAH  A1900 ( 4.8A)
None
 1.37A 1j36B-1tpyA:
undetectable		 1j36B-1tpyA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1tpy METHOXY MYCOLIC ACID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		5 / 8 THR A 168
GLY A 137
GLY A 143
PHE A 139
GLY A 203
 None
CO3  A 902 (-3.1A)
None
None
16A  A1901 ( 3.7A)
 1.39A 1jhqA-1tpyA:
undetectable		 1jhqA-1tpyA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 8 THR A 168
GLY A 137
GLY A 143
PHE A 139
GLY A 203
 None
CO3  A1902 (-3.1A)
None
None
10A  A1901 (-3.7A)
 1.38A 1jhvA-1kphA:
undetectable		 1jhvA-1kphA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1tpy METHOXY MYCOLIC ACID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		5 / 8 THR A 168
GLY A 137
GLY A 143
PHE A 139
GLY A 203
 None
CO3  A 902 (-3.1A)
None
None
16A  A1901 ( 3.7A)
 1.36A 1jhvA-1tpyA:
undetectable		 1jhvA-1tpyA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KI3_A_PE2A1_1
(THYMIDINE KINASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 12 HIS A 582
TYR A 412
GLN A 537
TYR A 514
GLU A 410
 FE  A 703 ( 3.3A)
None
None
CO3  A 701 ( 3.8A)
None
 1.30A 1ki3A-1jnfA:
0.0		 1ki3A-1jnfA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KI3_A_PE2A1_1
(THYMIDINE KINASE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		5 / 12 HIS E 582
TYR E 412
GLN E 537
TYR E 514
GLU E 410
 FE  E 703 ( 3.3A)
None
None
CO3  E 701 ( 3.8A)
None
 1.30A 1ki3A-1suvE:
0.0		 1ki3A-1suvE:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 6 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
CL  A 800 ( 4.6A)
FE  A 702 ( 4.2A)
CO3  A 700 (-4.0A)
 1.44A 1kiaA-1jnfA:
0.6		 1kiaA-1jnfA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 6 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
 1.41A 1kiaA-1tfdA:
0.0		 1kiaA-1tfdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 6 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
CL  A 800 ( 4.6A)
FE  A 702 ( 4.2A)
CO3  A 700 (-4.0A)
 1.45A 1kiaB-1jnfA:
0.6		 1kiaB-1jnfA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 6 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
 1.42A 1kiaB-1tfdA:
0.0		 1kiaB-1tfdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 7 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
CL  A 800 ( 4.6A)
FE  A 702 ( 4.2A)
CO3  A 700 (-4.0A)
 1.44A 1kiaC-1jnfA:
0.5		 1kiaC-1jnfA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 7 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
 1.41A 1kiaC-1tfdA:
undetectable		 1kiaC-1tfdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 7 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
CL  A 800 ( 4.6A)
FE  A 702 ( 4.2A)
CO3  A 700 (-4.0A)
 1.44A 1kiaD-1jnfA:
undetectable		 1kiaD-1jnfA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 7 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
 1.40A 1kiaD-1tfdA:
undetectable		 1kiaD-1tfdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 6 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
CL  A 800 ( 4.6A)
FE  A 702 ( 4.2A)
CO3  A 700 (-4.0A)
 1.45A 1nbhA-1jnfA:
0.5		 1nbhA-1jnfA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 6 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
 1.41A 1nbhA-1tfdA:
0.0		 1nbhA-1tfdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 7 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
CL  A 800 ( 4.6A)
FE  A 702 ( 4.2A)
CO3  A 700 (-4.0A)
 1.44A 1nbhB-1jnfA:
0.4		 1nbhB-1jnfA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 7 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
 1.40A 1nbhB-1tfdA:
undetectable		 1nbhB-1tfdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 TYR A  16
GLY A  74
SER A  96
GLY A 137
HIS A 141
 SAH  A1900 ( 4.2A)
SAH  A1900 (-3.2A)
None
CO3  A1902 (-3.1A)
SAH  A1900 (-4.4A)
 0.82A 1nbhB-1kphA:
15.4		 1nbhB-1kphA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 6 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
CL  A 800 ( 4.6A)
FE  A 702 ( 4.2A)
CO3  A 700 (-4.0A)
 1.46A 1nbhC-1jnfA:
0.4		 1nbhC-1jnfA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 6 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
 1.41A 1nbhC-1tfdA:
0.0		 1nbhC-1tfdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 7 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
CL  A 800 ( 4.6A)
FE  A 702 ( 4.2A)
CO3  A 700 (-4.0A)
 1.45A 1nbhD-1jnfA:
0.4		 1nbhD-1jnfA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 7 TYR A  85
ASN A 292
TYR A  95
TYR A 188
 None
None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
 1.41A 1nbhD-1tfdA:
undetectable		 1nbhD-1tfdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1hp1 5'-NUCLEOTIDASE
(Escherichia
coli) 		3 / 3 ASP A  84
HIS A 117
HIS A  43
 ZN  A 601 (-2.7A)
CO3  A 602 (-3.8A)
ZN  A 600 (-3.3A)
 0.69A 1oe1A-1hp1A:
undetectable		 1oe1A-1hp1A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1hp1 5'-NUCLEOTIDASE
(Escherichia
coli) 		3 / 3 ASP A  84
HIS A 117
HIS A  43
 ZN  A 601 (-2.7A)
CO3  A 602 (-3.8A)
ZN  A 600 (-3.3A)
 0.68A 1oe3A-1hp1A:
undetectable		 1oe3A-1hp1A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1l1e MYCOLIC ACID
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A  20
GLY A 137
ILE A 169
TYR A 232
TYR A 265
 None
CO3  A 903 ( 3.5A)
CO3  A 903 (-4.8A)
CO3  A 903 (-4.7A)
None
 1.18A 1xvaA-1l1eA:
14.0		 1xvaA-1l1eA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 8 VAL A 546
TYR A 431
ARG A 641
THR A 463
ALA A 464
 None
FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
 1.37A 2a1hA-1h76A:
0.0
2a1hB-1h76A:
0.0		 2a1hA-1h76A:
19.40
2a1hB-1h76A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVD_B_SAMB601_1
(CATECHOL-O-METHYLTRA
NSFERASE)		 1qjm LACTOFERRIN
(Equus
caballus) 		3 / 3 SER A 634
GLU A 413
ASP A 395
 None
None
CO3  A 693 ( 2.7A)
 0.91A 2avdB-1qjmA:
undetectable		 2avdB-1qjmA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 8 SER A 248
TYR A  95
TYR A 188
HIS A 249
 None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
FE  A 950 ( 3.4A)
 1.29A 2bteA-1tfdA:
undetectable		 2bteA-1tfdA:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		 1vfd LACTOFERRIN
(Homo
sapiens) 		4 / 8 SER A 252
TYR A  92
TYR A 192
HIS A 253
 None
FE  A 400 (-4.1A)
CO3  A 401 (-3.8A)
FE  A 400 (-3.1A)
 1.35A 2bteA-1vfdA:
undetectable		 2bteA-1vfdA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BYT_D_LEUD1601_0
(LEUCYL-TRNA
SYNTHETASE)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		4 / 7 TYR A 399
TYR A 526
TYR A 431
HIS A 594
 None
CO3  A 701 ( 3.9A)
FE  A 703 ( 4.2A)
FE  A 703 ( 3.4A)
 1.50A 2bytD-1h76A:
undetectable		 2bytD-1h76A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 1l1e MYCOLIC ACID
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  49
HIS A 167
GLU A 140
HIS A 141
LYS A  52
 None
CO3  A 903 (-3.9A)
CO3  A 903 (-3.1A)
SAH  A 900 ( 4.8A)
SAH  A 900 ( 4.7A)
 1.48A 2c6nB-1l1eA:
undetectable		 2c6nB-1l1eA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 10 TYR A 431
ARG A 641
GLY A 465
THR A 463
ALA A 464
 FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.0A)
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
 1.49A 2coiA-1h76A:
undetectable
2coiB-1h76A:
undetectable		 2coiA-1h76A:
20.61
2coiB-1h76A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 10 TYR A 431
ARG A 641
THR A 463
ALA A 464
VAL A 546
 FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
None
 1.35A 2coiA-1h76A:
undetectable
2coiB-1h76A:
undetectable		 2coiA-1h76A:
20.61
2coiB-1h76A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 10 VAL A 546
TYR A 431
ARG A 641
THR A 463
ALA A 464
 None
FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
 1.39A 2coiA-1h76A:
undetectable
2coiB-1h76A:
undetectable		 2coiA-1h76A:
20.61
2coiB-1h76A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 11 TYR A 431
ARG A 641
THR A 463
ALA A 464
VAL A 546
 FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
None
 1.39A 2cojA-1h76A:
undetectable
2cojB-1h76A:
undetectable		 2cojA-1h76A:
20.61
2cojB-1h76A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1qjm LACTOFERRIN
(Equus
caballus) 		4 / 8 TYR A 433
THR A 464
ALA A 465
ALA A 466
 None
CO3  A 693 (-3.8A)
CO3  A 693 (-2.7A)
CO3  A 693 (-4.0A)
 0.53A 2ej3A-1qjmA:
undetectable		 2ej3A-1qjmA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1qjm LACTOFERRIN
(Equus
caballus) 		5 / 10 TYR A 433
GLY A 525
THR A 464
ALA A 465
ALA A 466
 None
None
CO3  A 693 (-3.8A)
CO3  A 693 (-2.7A)
CO3  A 693 (-4.0A)
 1.03A 2ej3B-1qjmA:
undetectable		 2ej3B-1qjmA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1biy LACTOFERRIN
(Bubalus
bubalis) 		5 / 8 TYR A 433
GLY A 525
GLY A 466
THR A 464
ALA A 465
 FE  A 691 (-4.2A)
None
CO3  A 693 (-3.5A)
CO3  A 693 (-4.3A)
CO3  A 693 (-3.5A)
 1.38A 2ej3C-1biyA:
0.0		 2ej3C-1biyA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 8 TYR A 425
GLY A 513
GLY A 458
THR A 456
ALA A 457
 FE  A 703 ( 4.1A)
None
CO3  A 701 (-4.0A)
CO3  A 701 (-4.2A)
CO3  A 701 (-3.5A)
 1.27A 2ej3C-1jnfA:
undetectable		 2ej3C-1jnfA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1n76 LACTOFERRIN
(Homo
sapiens) 		5 / 8 TYR A 435
GLY A 527
GLY A 468
THR A 466
ALA A 467
 FE  A 694 ( 4.1A)
None
CO3  A 696 (-4.2A)
CO3  A 696 ( 4.7A)
CO3  A 696 (-3.4A)
 1.34A 2ej3C-1n76A:
undetectable		 2ej3C-1n76A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1qjm LACTOFERRIN
(Equus
caballus) 		5 / 8 TYR A 433
GLY A 525
THR A 464
ALA A 465
ALA A 466
 None
None
CO3  A 693 (-3.8A)
CO3  A 693 (-2.7A)
CO3  A 693 (-4.0A)
 1.01A 2ej3C-1qjmA:
undetectable		 2ej3C-1qjmA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		5 / 8 TYR E 425
GLY E 513
GLY E 458
THR E 456
ALA E 457
 FE  E 703 ( 4.1A)
None
CO3  E 701 (-4.0A)
CO3  E 701 (-4.2A)
CO3  E 701 (-3.5A)
 1.27A 2ej3C-1suvE:
undetectable		 2ej3C-1suvE:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F10_A_BCZA382_0
(SIALIDASE 2)		 1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 184
GLU A 148
TYR A 280
LEU A 281
TYR A 247
 CO3  A 902 ( 4.5A)
CO3  A 902 ( 3.4A)
None
None
10A  A 901 ( 4.3A)
 1.12A 2f10A-1kpiA:
undetectable		 2f10A-1kpiA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Escherichia
coli) 		3 / 3 SER A 138
THR A 197
GLN A 202
 CO3  A 401 (-4.5A)
None
None
 0.38A 2fk8A-6bqcA:
32.2		 2fk8A-6bqcA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1od5 GLYCININ
(Glycine
max) 		5 / 12 ALA A 336
ILE A 335
VAL A  72
ALA A 143
ILE A  69
 None
None
None
CO3  A 496 ( 4.6A)
None
 1.11A 2h42B-1od5A:
undetectable		 2h42B-1od5A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNK_A_ROCA401_2
(PROTEASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 ARG A 148
VAL A 153
THR A 159
 CO3  A 503 (-3.9A)
None
None
 0.87A 2nnkA-3vcnA:
undetectable		 2nnkA-3vcnA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4N_A_TPVA300_2
(PROTEASE)		 1gyt CYTOSOL
AMINOPEPTIDASE
(Escherichia
coli) 		4 / 8 ARG A 356
ALA A 321
GLY A 296
LEU A 454
 CO3  A 603 (-3.9A)
None
None
None
 0.74A 2o4nB-1gytA:
undetectable		 2o4nB-1gytA:
12.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_B_CHDB1103_0
(FERROCHELATASE)		 3jru PROBABLE CYTOSOL
AMINOPEPTIDASE
(Xanthomonas
oryzae) 		4 / 8 MET B 282
ARG B 348
GLY B 374
MET B 377
 None
CO3  B 491 (-3.2A)
None
None
 1.10A 2qd5B-3jruB:
3.9		 2qd5B-3jruB:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		 1n76 LACTOFERRIN
(Homo
sapiens) 		4 / 8 SER A 252
TYR A  92
TYR A 192
HIS A 253
 None
FE  A 693 ( 4.2A)
CO3  A 695 ( 4.0A)
FE  A 693 ( 3.3A)
 1.30A 2v0gA-1n76A:
undetectable		 2v0gA-1n76A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 8 SER A 248
TYR A  95
TYR A 188
HIS A 249
 None
FE  A 950 ( 4.3A)
CO3  A 900 ( 3.6A)
FE  A 950 ( 3.4A)
 1.20A 2v0gA-1tfdA:
undetectable		 2v0gA-1tfdA:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		 1vfd LACTOFERRIN
(Homo
sapiens) 		4 / 8 SER A 252
TYR A  92
TYR A 192
HIS A 253
 None
FE  A 400 (-4.1A)
CO3  A 401 (-3.8A)
FE  A 400 (-3.1A)
 1.29A 2v0gA-1vfdA:
undetectable		 2v0gA-1vfdA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 12 GLY A 127
LEU A  66
SER A 125
ALA A 126
SER A 180
 CO3  A 900 (-3.6A)
None
CO3  A 900 (-4.1A)
CO3  A 900 (-3.6A)
None
 1.26A 2vmyB-1tfdA:
undetectable		 2vmyB-1tfdA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1l1e MYCOLIC ACID
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  49
HIS A 167
GLU A 140
HIS A 141
LYS A  52
 None
CO3  A 903 (-3.9A)
CO3  A 903 (-3.1A)
SAH  A 900 ( 4.8A)
SAH  A 900 ( 4.7A)
 1.49A 2x91A-1l1eA:
undetectable		 2x91A-1l1eA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1hp1 5'-NUCLEOTIDASE
(Escherichia
coli) 		3 / 3 ASP A  84
HIS A 117
HIS A  43
 ZN  A 601 (-2.7A)
CO3  A 602 (-3.8A)
ZN  A 600 (-3.3A)
 0.70A 2xxgA-1hp1A:
undetectable		 2xxgA-1hp1A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1hp1 5'-NUCLEOTIDASE
(Escherichia
coli) 		3 / 3 ASP A  84
HIS A 117
HIS A  43
 ZN  A 601 (-2.7A)
CO3  A 602 (-3.8A)
ZN  A 600 (-3.3A)
 0.70A 2xxgC-1hp1A:
undetectable		 2xxgC-1hp1A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_B_SAMB530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 1vfd LACTOFERRIN
(Homo
sapiens) 		3 / 3 TYR A 192
GLU A 121
THR A  58
 CO3  A 401 (-3.8A)
CO3  A 401 ( 3.7A)
None
 0.98A 2y7hB-1vfdA:
undetectable		 2y7hB-1vfdA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_A_SALA1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Escherichia
coli) 		5 / 11 GLY A 314
TYR A 317
PHE A 358
GLY A 269
HIS A 266
 None
LOP  A 402 ( 3.7A)
LOP  A 402 ( 4.6A)
None
CO3  A 401 (-4.0A)
 1.16A 2y7kA-6bqcA:
undetectable		 2y7kA-6bqcA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_C_SALC1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 243
GLY A 244
TYR A 247
PHE A 288
HIS A 182
 None
None
10A  A 901 ( 4.3A)
10A  A 901 ( 4.9A)
CO3  A 902 (-3.8A)
 1.22A 2y7kC-1kpiA:
undetectable		 2y7kC-1kpiA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_C_SALC1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A 314
TYR A 317
PHE A 358
GLY A 269
HIS A 266
 None
LOP  A 402 ( 3.7A)
LOP  A 402 ( 4.6A)
None
CO3  A 401 (-4.0A)
 1.25A 2y7kC-6bqcA:
undetectable		 2y7kC-6bqcA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 12 ILE A 129
GLY A 126
ALA A  96
VAL A 158
ASP A  62
 None
CO3  A 700 (-3.6A)
None
None
FE  A 702 ( 3.1A)
 0.90A 2yvlC-1h76A:
undetectable		 2yvlC-1h76A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZM9_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3nxl GLUCARATE
DEHYDRATASE
(Burkholderia
lata) 		4 / 8 TYR A 184
HIS A  36
GLY A 175
ILE A 174
 None
CO3  A 477 (-4.0A)
None
None
 0.82A 2zm9A-3nxlA:
undetectable		 2zm9A-3nxlA:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 12 GLY A 120
GLY A 122
LEU A  65
ASN A 185
TYR A 192
 None
None
None
None
CO3  A 700 ( 3.8A)
 1.13A 2zw9B-1h76A:
undetectable		 2zw9B-1h76A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 1hp1 5'-NUCLEOTIDASE
(Escherichia
coli) 		3 / 3 MET A 104
GLU A 118
ASN A 116
 None
None
CO3  A 602 ( 2.6A)
 1.08A 3a27A-1hp1A:
undetectable		 3a27A-1hp1A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APT_B_ACTB311_0
(METHYLENETETRAHYDROF
OLATE REDUCTASE)		 1iom CITRATE SYNTHASE
(Thermus
thermophilus) 		5 / 9 HIS A 258
ASP A 265
PRO A 266
ILE A  20
HIS A 184
 GOL  A 400 (-3.9A)
None
None
None
CO3  A 500 (-4.0A)
 1.17A 3aptB-1iomA:
undetectable		 3aptB-1iomA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 ARG A 148
VAL A 153
THR A 159
 CO3  A 503 (-3.9A)
None
None
 0.85A 3cyxA-3vcnA:
undetectable		 3cyxA-3vcnA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 1dot DUCK OVOTRANSFERRIN
(Anas
platyrhynchos) 		5 / 10 ILE A 138
ILE A 129
GLY A 124
PRO A 162
LEU A 109
 None
None
CO3  A 689 (-3.7A)
None
None
 1.24A 3elzB-1dotA:
0.0		 3elzB-1dotA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G2O_A_SAMA500_0
(PCZA361.24)		 1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  74
LEU A  93
LEU A  95
SER A  96
GLY A 137
 SAH  A1900 (-3.2A)
SAH  A1900 ( 4.9A)
SAH  A1900 (-4.4A)
None
CO3  A1902 (-3.1A)
 1.06A 3g2oA-1kphA:
15.7		 3g2oA-1kphA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G2O_A_SAMA500_0
(PCZA361.24)		 1l1e MYCOLIC ACID
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  74
LEU A  93
LEU A  95
SER A  96
GLY A 137
 SAH  A 900 (-3.4A)
None
SAH  A 900 (-4.1A)
None
CO3  A 903 ( 3.5A)
 1.08A 3g2oA-1l1eA:
16.2		 3g2oA-1l1eA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 THR A 465
ASP A 399
LYS A 386
ASP A 459
LEU A 487
 None
ZN  A 702 ( 2.3A)
4ZN  A 704 ( 2.5A)
ZN  A 703 ( 2.9A)
CO3  A 701 ( 4.5A)
 1.33A 3glqB-5cbmA:
undetectable		 3glqB-5cbmA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GN0_A_DMOA551_1
(ARGINASE-1)		 3nxl GLUCARATE
DEHYDRATASE
(Burkholderia
lata) 		5 / 9 HIS A 359
ASP A 386
HIS A 388
ASP A 255
GLU A 280
 MG  A 476 ( 4.5A)
None
CO3  A 477 (-4.0A)
MG  A 476 (-2.8A)
MG  A 476 (-3.3A)
 1.49A 3gn0A-3nxlA:
undetectable		 3gn0A-3nxlA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCO_A_CHDA4_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN
(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		5 / 9 MET A 307
LEU A 187
VAL A 322
GLY A 323
PRO A 324
 CO3  A 608 (-4.4A)
None
None
None
None
 1.17A 3hcoA-4gxrA:
3.8		 3hcoA-4gxrA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 1qjm LACTOFERRIN
(Equus
caballus) 		5 / 12 GLY A 462
GLY A 460
ILE A 381
ASP A 395
LEU A 394
 None
None
None
CO3  A 693 ( 2.7A)
None
 1.05A 3ihtA-1qjmA:
undetectable		 3ihtA-1qjmA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 12 TYR A 395
ILE A 461
GLY A 458
ALA A 452
ALA A 528
 None
None
CO3  A 701 (-4.0A)
None
None
 1.06A 3jayA-1jnfA:
0.0		 3jayA-1jnfA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		5 / 12 TYR E 395
ILE E 461
GLY E 458
ALA E 452
ALA E 528
 None
None
CO3  E 701 (-4.0A)
None
None
 1.06A 3jayA-1suvE:
undetectable		 3jayA-1suvE:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.41A 3k39A-3vcnA:
undetectable		 3k39A-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39C-3vcnA:
undetectable		 3k39C-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_E_BCZE1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39E-3vcnA:
undetectable		 3k39E-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_F_BCZF1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39F-3vcnA:
undetectable		 3k39F-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_G_BCZG1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.41A 3k39G-3vcnA:
undetectable		 3k39G-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_H_BCZH1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39H-3vcnA:
undetectable		 3k39H-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_I_BCZI1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39I-3vcnA:
undetectable		 3k39I-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_K_BCZK1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.41A 3k39K-3vcnA:
undetectable		 3k39K-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_L_BCZL1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39L-3vcnA:
undetectable		 3k39L-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_M_BCZM1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.43A 3k39M-3vcnA:
undetectable		 3k39M-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.41A 3k39O-3vcnA:
undetectable		 3k39O-3vcnA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 6fea NITROGENASE PROTEIN
ALPHA CHAIN
(Azotobacter
vinelandii) 		4 / 6 SER A  45
ARG A 259
GLY A 337
GLU A 366
 None
None
CO3  A 503 (-3.7A)
None
 1.11A 3k9fA-6feaA:
undetectable
3k9fB-6feaA:
undetectable
3k9fD-6feaA:
3.6		 3k9fA-6feaA:
10.91
3k9fB-6feaA:
10.91
3k9fD-6feaA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N3I_A_ROCA201_1
(PROTEASE)		 1lam LEUCINE
AMINOPEPTIDASE
(Bos
taurus) 		5 / 12 GLY A 276
ASP A 449
GLY A 335
ILE A 338
ALA A 300
 None
None
CO3  A 500 ( 3.2A)
None
None
 0.84A 3n3iA-1lamA:
undetectable		 3n3iA-1lamA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 3nxl GLUCARATE
DEHYDRATASE
(Burkholderia
lata) 		3 / 3 HIS A 359
SER A 367
ASN A 362
 MG  A 476 ( 4.5A)
None
CO3  A 477 ( 4.8A)
 0.90A 3s8pB-3nxlA:
0.0		 3s8pB-3nxlA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SP6_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 12 SER A 124
TYR A  94
VAL A 324
HIS A 253
TYR A 192
 CO3  A 700 ( 4.6A)
FE  A 702 ( 4.3A)
None
FE  A 702 ( 3.4A)
CO3  A 700 ( 3.8A)
 1.48A 3sp6A-1h76A:
0.0		 3sp6A-1h76A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		 1qjm LACTOFERRIN
(Equus
caballus) 		4 / 8 PHE A 487
ALA A 492
PHE A 542
ALA A 466
 None
None
None
CO3  A 693 (-4.0A)
 0.94A 3t3sD-1qjmA:
undetectable		 3t3sD-1qjmA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		5 / 12 ASP A  39
ARG A  42
THR A  38
ALA A 290
ALA A 303
 None
None
None
None
CO3  A 713 ( 4.9A)
 1.30A 3ua1A-4iuwA:
undetectable		 3ua1A-4iuwA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFB_B_KANB401_1
(APH(2')-ID)		 1hp1 5'-NUCLEOTIDASE
(Escherichia
coli) 		5 / 10 ASP A  84
ASP A 120
HIS A 117
ASP A  41
GLU A 130
 ZN  A 601 (-2.7A)
None
CO3  A 602 (-3.8A)
ZN  A 600 (-3.1A)
None
 1.48A 4dfbB-1hp1A:
0.0		 4dfbB-1hp1A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EVR_A_BEZA401_0
(PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT)		 1jnf SEROTRANSFERRIN
(Oryctolagus
cuniculus) 		5 / 11 TYR A 514
VAL A 530
SER A 427
TYR A 425
ALA A 579
 CO3  A 701 ( 3.8A)
None
None
FE  A 703 ( 4.1A)
None
 1.19A 4evrA-1jnfA:
1.0		 4evrA-1jnfA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EVR_A_BEZA401_0
(PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT)		 1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens) 		5 / 11 TYR E 514
VAL E 530
SER E 427
TYR E 425
ALA E 579
 CO3  E 701 ( 3.8A)
None
None
FE  E 703 ( 4.1A)
None
 1.19A 4evrA-1suvE:
1.4		 4evrA-1suvE:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F3T_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3s0m OXALATE
DECARBOXYLASE OXDC
(Bacillus
subtilis) 		4 / 4 PHE A 155
VAL A  82
ALA A  80
PHE A  52
 CO3  A 600 (-4.6A)
None
None
None
 1.45A 4f3tA-3s0mA:
undetectable		 4f3tA-3s0mA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		 1n76 LACTOFERRIN
(Homo
sapiens) 		4 / 6 ASN A 640
ARG A 465
TYR A 435
TYR A 528
 None
CO3  A 696 (-4.1A)
FE  A 694 ( 4.1A)
CO3  A 696 ( 4.2A)
 1.40A 4f8yA-1n76A:
undetectable
4f8yB-1n76A:
undetectable		 4f8yA-1n76A:
14.24
4f8yB-1n76A:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FU8_A_ACTA304_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 3s0m OXALATE
DECARBOXYLASE OXDC
(Bacillus
subtilis) 		3 / 3 ARG A  92
HIS A  95
TYR A 200
 CO3  A 600 (-4.0A)
MN  A 500 ( 3.3A)
None
 0.97A 4fu8A-3s0mA:
undetectable		 4fu8A-3s0mA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FU9_A_ACTA312_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 3s0m OXALATE
DECARBOXYLASE OXDC
(Bacillus
subtilis) 		3 / 3 ARG A  92
HIS A  95
TYR A 200
 CO3  A 600 (-4.0A)
MN  A 500 ( 3.3A)
None
 0.92A 4fu9A-3s0mA:
undetectable		 4fu9A-3s0mA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_B_15UB402_1
(PROTHROMBIN)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 12 TRP A 108
ALA A  98
ILE A 128
GLY A 126
GLY A 120
 None
None
None
CO3  A 700 (-3.6A)
None
 1.19A 4hfpB-1h76A:
undetectable		 4hfpB-1h76A:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		4 / 8 TYR A 192
HIS A 253
ILE A  11
LEU A  65
 CO3  A 700 ( 3.8A)
FE  A 702 ( 3.4A)
None
None
 0.83A 4jq1B-1h76A:
undetectable		 4jq1B-1h76A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KF9_A_ACTA408_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)		 1n76 LACTOFERRIN
(Homo
sapiens) 		4 / 6 THR A 117
PRO A 159
PHE A  63
PHE A 190
 CO3  A 695 (-2.9A)
None
None
None
 1.29A 4kf9A-1n76A:
0.0		 4kf9A-1n76A:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 1n76 LACTOFERRIN
(Homo
sapiens) 		5 / 12 GLY A 124
GLY A 118
ILE A 209
ALA A 195
ALA A  94
 CO3  A 695 (-4.0A)
None
None
None
None
 1.15A 4kicA-1n76A:
undetectable		 4kicA-1n76A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 1vfd LACTOFERRIN
(Homo
sapiens) 		5 / 12 GLY A 124
GLY A 118
ILE A 209
ALA A 195
ALA A  94
 CO3  A 401 (-4.5A)
None
None
None
None
 1.18A 4kicA-1vfdA:
undetectable		 4kicA-1vfdA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LB0_B_ACTB401_0
(UNCHARACTERIZED
PROTEIN)		 3s0m OXALATE
DECARBOXYLASE OXDC
(Bacillus
subtilis) 		4 / 5 GLU A  67
VAL A  82
VAL A 165
PHE A 155
 None
None
None
CO3  A 600 (-4.6A)
 1.02A 4lb0B-3s0mA:
undetectable		 4lb0B-3s0mA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 1hp1 5'-NUCLEOTIDASE
(Escherichia
coli) 		3 / 3 ASP A  41
VAL A  89
ASN A 116
 ZN  A 600 (-3.1A)
None
CO3  A 602 ( 2.6A)
 0.69A 4lmnA-1hp1A:
undetectable		 4lmnA-1hp1A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		4 / 6 ILE A 184
ILE A 210
PHE A 288
LEU A 251
 CO3  A 902 ( 4.5A)
None
10A  A 901 ( 4.9A)
None
 0.99A 4m51A-1kpiA:
0.1		 4m51A-1kpiA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 1tpy METHOXY MYCOLIC ACID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		4 / 6 ILE A 169
ILE A 195
PHE A 273
LEU A 236
 CO3  A 902 ( 4.6A)
16A  A1901 (-4.3A)
None
16A  A1901 (-4.8A)
 0.98A 4m51A-1tpyA:
undetectable		 4m51A-1tpyA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MK4_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN
(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		5 / 10 LEU A 256
LEU A 280
ARG A 255
LYS A 231
HIS A 209
 None
None
GOL  A 606 (-3.7A)
MLY  A 230 (-3.1A)
CO3  A 608 (-3.7A)
 1.19A 4mk4A-4gxrA:
4.2		 4mk4A-4gxrA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MK4_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN
(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		5 / 10 LEU A 256
LEU A 280
LYS A 231
ILE A 236
HIS A 209
 None
None
MLY  A 230 (-3.1A)
MLY  A 235 ( 4.3A)
CO3  A 608 (-3.7A)
 1.22A 4mk4A-4gxrA:
4.2		 4mk4A-4gxrA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 6 THR A 168
GLU A 140
THR A 170
LEU A 166
 None
CO3  A1902 ( 3.6A)
None
None
 1.10A 4pgfA-1kphA:
4.3		 4pgfA-1kphA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		4 / 6 THR A 183
GLU A 148
THR A 185
LEU A 181
 None
CO3  A 902 ( 3.4A)
None
None
 1.16A 4pgfA-1kpiA:
4.2		 4pgfA-1kpiA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1tpy METHOXY MYCOLIC ACID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		4 / 6 THR A 168
GLU A 140
THR A 170
LEU A 166
 None
CO3  A 902 ( 3.3A)
None
None
 1.13A 4pgfA-1tpyA:
4.4		 4pgfA-1tpyA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 1dot DUCK OVOTRANSFERRIN
(Anas
platyrhynchos) 		5 / 12 SER A 674
THR A 401
ASP A 395
ASP A 634
LYS A 378
 None
None
CO3  A 690 (-3.6A)
None
None
 1.33A 4pghB-1dotA:
undetectable		 4pghB-1dotA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_B_GCSB304_1
(CHITOSANASE)		 4ffl PYLC
(Methanosarcina
barkeri) 		3 / 3 GLN A 247
SER A 138
ASP A 194
 CO3  A 907 (-4.1A)
ADP  A 902 (-3.2A)
None
 0.91A 4qwpA-4fflA:
undetectable
4qwpB-4fflA:
undetectable		 4qwpA-4fflA:
21.58
4qwpB-4fflA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 1od5 GLYCININ
(Glycine
max) 		4 / 6 TYR A 131
GLU A 172
TYR A 164
LEU A  59
 CO3  A 496 (-4.4A)
None
None
None
 1.19A 4twdB-1od5A:
undetectable
4twdC-1od5A:
undetectable		 4twdB-1od5A:
19.68
4twdC-1od5A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 1od5 GLYCININ
(Glycine
max) 		4 / 6 TYR A 131
GLU A 172
TYR A 164
LEU A  59
 CO3  A 496 (-4.4A)
None
None
None
 1.11A 4twdD-1od5A:
0.0
4twdE-1od5A:
undetectable		 4twdD-1od5A:
19.68
4twdE-1od5A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 1od5 GLYCININ
(Glycine
max) 		4 / 6 TYR A 131
GLU A 172
TYR A 164
LEU A  59
 CO3  A 496 (-4.4A)
None
None
None
 1.21A 4twdF-1od5A:
0.0
4twdG-1od5A:
0.0		 4twdF-1od5A:
19.68
4twdG-1od5A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 1od5 GLYCININ
(Glycine
max) 		4 / 6 TYR A 131
GLU A 172
TYR A 164
LEU A  59
 CO3  A 496 (-4.4A)
None
None
None
 1.22A 4twdI-1od5A:
0.0
4twdJ-1od5A:
0.0		 4twdI-1od5A:
19.68
4twdJ-1od5A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_A_SAMA2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 1i6q LACTOFERRIN
(Camelus
dromedarius) 		3 / 3 SER A 122
ASP A 302
ASP A  60
 CO3  A 692 (-4.1A)
None
None
 0.77A 4uckA-1i6qA:
undetectable		 4uckA-1i6qA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5Q_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 3s0m OXALATE
DECARBOXYLASE OXDC
(Bacillus
subtilis) 		4 / 4 PHE A 155
VAL A  82
ALA A  80
PHE A  52
 CO3  A 600 (-4.6A)
None
None
None
 1.47A 4w5qA-3s0mA:
undetectable		 4w5qA-3s0mA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5R_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 3s0m OXALATE
DECARBOXYLASE OXDC
(Bacillus
subtilis) 		4 / 4 PHE A 155
VAL A  82
ALA A  80
PHE A  52
 CO3  A 600 (-4.6A)
None
None
None
 1.45A 4w5rA-3s0mA:
undetectable		 4w5rA-3s0mA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5T_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 3s0m OXALATE
DECARBOXYLASE OXDC
(Bacillus
subtilis) 		4 / 4 PHE A 155
VAL A  82
ALA A  80
PHE A  52
 CO3  A 600 (-4.6A)
None
None
None
 1.46A 4w5tA-3s0mA:
undetectable		 4w5tA-3s0mA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		 1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 7 PHE A 283
LEU A 166
GLU A 140
VAL A 211
 None
None
CO3  A1902 ( 3.6A)
None
 1.02A 4wnvD-1kphA:
0.9		 4wnvD-1kphA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN
(Paraburkholderia
xenovorans;
Rhodopseudomonas
palustris) 		4 / 4 ASN A 484
SER A 277
ALA A 488
VAL A 489
 None
CO3  A 608 ( 2.3A)
None
MLY  A 491 ( 4.9A)
 1.32A 4x1kC-4gxrA:
undetectable		 4x1kC-4gxrA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		5 / 12 LEU A 659
ALA A 591
HIS A 594
ILE A 400
THR A 463
 None
None
FE  A 703 ( 3.4A)
None
CO3  A 701 (-4.3A)
 0.94A 4xdrA-1h76A:
0.0		 4xdrA-1h76A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 1lam LEUCINE
AMINOPEPTIDASE
(Bos
taurus) 		4 / 7 VAL A 410
ILE A 326
HIS A 447
LEU A 360
 None
None
None
CO3  A 500 ( 4.0A)
 1.14A 4xo7B-1lamA:
undetectable		 4xo7B-1lamA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1n76 LACTOFERRIN
(Homo
sapiens) 		4 / 4 GLY A 124
LEU A 320
PHE A 325
ILE A 328
 CO3  A 695 (-4.0A)
None
None
None
 0.97A 4xv2A-1n76A:
undetectable		 4xv2A-1n76A:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1n76 LACTOFERRIN
(Homo
sapiens) 		4 / 4 GLY A 124
VAL A 127
PHE A 325
ILE A 328
 CO3  A 695 (-4.0A)
None
None
None
 1.14A 4xv2B-1n76A:
0.0		 4xv2B-1n76A:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		 1i6q LACTOFERRIN
(Camelus
dromedarius) 		4 / 7 SER A 122
GLY A  61
GLY A  62
ILE A 328
 CO3  A 692 (-4.1A)
None
None
None
 0.62A 4yjiA-1i6qA:
0.0		 4yjiA-1i6qA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YVX_A_GMRA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Escherichia
coli) 		5 / 12 LEU A 321
TRP A 324
SER A 138
LEU A 131
PHE A 286
 LOP  A 402 ( 4.3A)
None
CO3  A 401 (-4.5A)
None
LOP  A 402 (-3.0A)
 1.33A 4yvxA-6bqcA:
undetectable		 4yvxA-6bqcA:
12.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4G_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 3s0m OXALATE
DECARBOXYLASE OXDC
(Bacillus
subtilis) 		4 / 4 PHE A 155
VAL A  82
ALA A  80
PHE A  52
 CO3  A 600 (-4.6A)
None
None
None
 1.46A 4z4gA-3s0mA:
undetectable		 4z4gA-3s0mA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1tpy METHOXY MYCOLIC ACID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		4 / 5 GLU A 140
THR A 170
HIS A 155
LEU A 164
 CO3  A 902 ( 3.3A)
None
None
None
 1.17A 5axaA-1tpyA:
5.5		 5axaA-1tpyA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXA_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1tpy METHOXY MYCOLIC ACID
SYNTHASE 2
(Mycobacterium
tuberculosis) 		4 / 5 GLU A 140
THR A 170
HIS A 155
LEU A 164
 CO3  A 902 ( 3.3A)
None
None
None
 1.17A 5axaC-1tpyA:
3.6		 5axaC-1tpyA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)		 1tfd TRANSFERRIN
(Oryctolagus
cuniculus) 		4 / 6 TYR A 188
ARG A 124
GLY A  65
SER A 125
 CO3  A 900 ( 3.6A)
CO3  A 900 (-3.5A)
None
CO3  A 900 (-4.1A)
 1.22A 5bphA-1tfdA:
undetectable		 5bphA-1tfdA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DBY_A_ACTA617_0
(SERUM ALBUMIN)		 4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN
(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		3 / 3 TRP A 191
ARG A 299
LEU A 199
 None
CO3  A 608 ( 2.7A)
None
 0.85A 5dbyA-4gxrA:
undetectable		 5dbyA-4gxrA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1l1e MYCOLIC ACID
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE A 169
TRP A 239
PHE A 200
ALA A 138
CYH A 269
 CO3  A 903 (-4.8A)
None
None
SAH  A 900 (-3.4A)
None
 1.23A 5ji0A-1l1eA:
undetectable		 5ji0A-1l1eA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KI6_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 3s0m OXALATE
DECARBOXYLASE OXDC
(Bacillus
subtilis) 		4 / 4 PHE A 155
VAL A  82
ALA A  80
PHE A  52
 CO3  A 600 (-4.6A)
None
None
None
 1.45A 5ki6A-3s0mA:
undetectable		 5ki6A-3s0mA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Escherichia
coli) 		7 / 12 SER A 138
GLY A 175
GLY A 177
THR A 197
GLN A 202
VAL A 235
HIS A 240
 CO3  A 401 (-4.5A)
None
None
None
None
None
LOP  A 402 (-3.2A)
 0.75A 5kocB-6bqcA:
28.9		 5kocB-6bqcA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Escherichia
coli) 		5 / 12 SER A 138
GLY A 175
GLY A 177
SER A 199
GLN A 202
 CO3  A 401 (-4.5A)
None
None
None
None
 0.85A 5kpcB-6bqcA:
28.7		 5kpcB-6bqcA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4cuo BANYAN PEROXIDASE
(Ficus
benghalensis) 		5 / 7 GLY A  51
ALA A  98
ASP A  99
GLY A 283
ILE A 285
 None
None
None
CL  A1331 ( 4.7A)
CO3  A1336 ( 4.9A)
 1.30A 5kqyB-4cuoA:
undetectable		 5kqyB-4cuoA:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)		 4cuo BANYAN PEROXIDASE
(Ficus
benghalensis) 		5 / 8 GLY A  51
ALA A  98
ASP A  99
GLY A 283
ILE A 285
 None
None
None
CL  A1331 ( 4.7A)
CO3  A1336 ( 4.9A)
 1.32A 5kr1B-4cuoA:
undetectable		 5kr1B-4cuoA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 1hp1 5'-NUCLEOTIDASE
(Escherichia
coli) 		4 / 4 ASP A  84
HIS A 217
HIS A 252
HIS A 117
 ZN  A 601 (-2.7A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.4A)
CO3  A 602 (-3.8A)
 1.48A 5ncdD-1hp1A:
undetectable		 5ncdD-1hp1A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN
(Paraburkholderia
xenovorans;
Rhodopseudomonas
palustris) 		4 / 4 ASN A 484
SER A 277
ALA A 488
VAL A 489
 None
CO3  A 608 ( 2.3A)
None
MLY  A 491 ( 4.9A)
 1.17A 5nm5A-4gxrA:
undetectable		 5nm5A-4gxrA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		5 / 12 LEU A 400
HIS A 309
TRP A 306
PRO A  84
GLY A  81
 None
CO3  A 713 (-4.1A)
None
None
None
 1.21A 5nnaA-4iuwA:
undetectable		 5nnaA-4iuwA:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_B_BZMB301_0
(ISATIN HYDROLASE A)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		5 / 12 LEU A 400
HIS A 309
TRP A 306
PRO A  84
GLY A  81
 None
CO3  A 713 (-4.1A)
None
None
None
 1.21A 5nnaB-4iuwA:
undetectable		 5nnaB-4iuwA:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)		 4iuw NEUTRAL
ENDOPEPTIDASE
(Lactobacillus
rhamnosus) 		5 / 12 LEU A 400
HIS A 309
TRP A 306
PRO A  84
GLY A  81
 None
CO3  A 713 (-4.1A)
None
None
None
 1.21A 5nnaC-4iuwA:
undetectable		 5nnaC-4iuwA:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 5cbm M17 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 10 ALA A 469
LEU A 466
GLY A 462
ILE A 510
LEU A 514
 None
None
CO3  A 701 (-3.4A)
None
None
 1.11A 5oy01-5cbmA:
undetectable
5oy07-5cbmA:
undetectable		 5oy01-5cbmA:
10.61
5oy07-5cbmA:
6.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 3nxl GLUCARATE
DEHYDRATASE
(Burkholderia
lata) 		4 / 7 HIS A  36
ASP A 255
GLY A 228
ASN A  31
 CO3  A 477 (-4.0A)
MG  A 476 (-2.8A)
None
CO3  A 477 ( 3.8A)
 1.12A 5x7pA-3nxlA:
undetectable		 5x7pA-3nxlA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_B_ACRB1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 3nxl GLUCARATE
DEHYDRATASE
(Burkholderia
lata) 		4 / 5 HIS A  36
ASP A 255
GLY A 228
ASN A  31
 CO3  A 477 (-4.0A)
MG  A 476 (-2.8A)
None
CO3  A 477 ( 3.8A)
 1.12A 5x7pB-3nxlA:
undetectable		 5x7pB-3nxlA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN
(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		5 / 12 LEU A 199
PHE A 212
GLY A 210
MET A 307
LEU A 175
 None
None
None
CO3  A 608 (-4.4A)
None
 1.09A 5y2tA-4gxrA:
undetectable		 5y2tA-4gxrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXL_A_SAMA401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3jru PROBABLE CYTOSOL
AMINOPEPTIDASE
(Xanthomonas
oryzae) 		5 / 12 GLY B 347
SER B 334
LYS B 336
CYH B 352
ASP B 368
 CO3  B 491 (-3.1A)
None
None
None
None
 1.41A 6bxlA-3jruB:
2.2		 6bxlA-3jruB:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 1biy LACTOFERRIN
(Bubalus
bubalis) 		4 / 6 MET A 129
ARG A 121
TRP A 125
ALA A 123
 None
CO3  A 692 (-4.2A)
None
CO3  A 692 (-3.2A)
 1.19A 6fosB-1biyA:
undetectable		 6fosB-1biyA:
6.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		4 / 6 MET A 131
ARG A 123
TRP A 127
ALA A 125
 None
CO3  A 700 (-3.6A)
None
CO3  A 700 (-3.3A)
 1.11A 6fosB-1h76A:
undetectable		 6fosB-1h76A:
7.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 1iom CITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 5 HIS A 184
ARG A 267
PHE A 333
ARG A 337
 CO3  A 500 (-4.0A)
GOL  A 400 (-2.9A)
GOL  A 400 ( 4.8A)
CO3  A 500 (-3.0A)
 0.62A 6hxiB-1iomA:
14.5		 6hxiB-1iomA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 1iom CITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 5 HIS A 184
ARG A 267
PHE A 333
ARG A 337
 CO3  A 500 (-4.0A)
GOL  A 400 (-2.9A)
GOL  A 400 ( 4.8A)
CO3  A 500 (-3.0A)
 0.62A 6hxiD-1iomA:
16.1		 6hxiD-1iomA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1h76 SEROTRANSFERRIN
(Sus
scrofa) 		4 / 6 ASP A 643
TYR A 526
ASP A 544
GLU A 584
 None
CO3  A 701 ( 3.9A)
None
None
 1.44A 6mn5C-1h76A:
0.0		 6mn5C-1h76A:
7.10