SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'SAI'


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.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
GLY A  52
SER A  73
MET A  76
TYR A  20
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
None
 1.20A 1nbhA-2avnA:
17.0		 1nbhA-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 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_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
GLY A  52
SER A  73
MET A  76
TYR A  20
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
None
 1.18A 1nbhD-2avnA:
19.5		 1nbhD-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  52
THR A  53
SER A  73
MET A  76
GLY A 110
 SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
SAI  A1300 (-3.4A)
 0.41A 1nbiC-2avnA:
16.7		 1nbiC-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  52
THR A  53
SER A  73
MET A  76
TYR A  20
 SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
None
 0.79A 1nbiC-2avnA:
16.7		 1nbiC-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
GLY A  52
THR A  53
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.81A 1nbiC-2avnA:
16.7		 1nbiC-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  52
THR A  53
SER A  73
MET A  76
GLY A 110
 SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
SAI  A1300 (-3.4A)
 0.39A 1nbiD-2avnA:
16.7		 1nbiD-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  52
THR A  53
SER A  73
MET A  76
TYR A  20
 SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
None
 0.78A 1nbiD-2avnA:
16.7		 1nbiD-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
GLY A  52
THR A  53
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.81A 1nbiD-2avnA:
16.7		 1nbiD-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 LEU A  68
GLY A  66
VAL A  60
MET A 128
GLN A 165
 None
None
None
SAI  A 401 ( 4.9A)
SAI  A 401 (-4.6A)
 1.43A 1nhzA-1xtpA:
undetectable		 1nhzA-1xtpA:
21.64
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.
1SV9_A_DIFA701_1
(PHOSPHOLIPASE A2)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 8 ALA A 168
ILE A 169
CYH A 100
GLY A 101
PHE A 179
 None
None
None
SAI  A 401 (-3.4A)
None
 1.43A 1sv9A-1xtpA:
undetectable		 1sv9A-1xtpA:
20.70
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 1im8 YECO
(Haemophilus
influenzae) 		3 / 3 GLY A  63
ASP A  88
ASN A 131
 SAI  A 302 (-3.8A)
SAI  A 302 (-2.8A)
SAI  A 302 (-4.1A)
 0.56A 1vq1A-1im8A:
11.8		 1vq1A-1im8A:
24.50
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 1im8 YECO
(Haemophilus
influenzae) 		4 / 7 ALA A  69
SER A  72
ASP A  61
ILE A  41
 SAI  A 302 ( 3.9A)
None
SAI  A 302 ( 4.8A)
None
 0.94A 1yc5A-1im8A:
3.2		 1yc5A-1im8A:
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.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 10 ALA A 168
ILE A 169
CYH A 100
GLY A 101
PHE A 179
 None
None
None
SAI  A 401 (-3.4A)
None
 1.43A 2b17A-1xtpA:
undetectable		 2b17A-1xtpA:
20.70
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.
2GLU_A_SAMA301_0
(YCGJ)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  50
GLY A  52
ASP A  71
ALA A  93
GLU A  94
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
 0.30A 2gluA-2avnA:
17.6		 2gluA-2avnA:
27.68
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 10 GLY A  51
VAL A 112
ALA A 108
PHE A  98
LEU A  96
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.9A)
None
None
None
 1.31A 3a3yA-2avnA:
undetectable		 3a3yA-2avnA:
14.16
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.
3BXO_A_SAMA238_0
(N,N-DIMETHYLTRANSFER
ASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 GLY A 103
MET A 128
MET A 149
TYR A 170
LEU A 171
 SAI  A 401 (-3.2A)
SAI  A 401 ( 4.9A)
SAI  A 401 (-4.4A)
SAI  A 401 (-3.8A)
None
 0.74A 3bxoA-1xtpA:
16.4		 3bxoA-1xtpA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CJT_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1im8 YECO
(Haemophilus
influenzae) 		5 / 12 ASP A  61
LEU A  62
GLY A  63
ASP A  88
LEU A 137
 SAI  A 302 ( 4.8A)
None
SAI  A 302 (-3.8A)
SAI  A 302 (-2.8A)
None
 0.89A 3cjtC-1im8A:
15.4		 3cjtC-1im8A:
24.13
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.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		 1xtp LMAJ004091AAA
(Leishmania
major) 		4 / 8 LEU A 161
ALA A 186
LEU A 187
ILE A 107
 None
None
None
SAI  A 401 (-4.9A)
 0.89A 3cldB-1xtpA:
undetectable		 3cldB-1xtpA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 11 GLY A  50
GLY A  52
ASP A  71
ALA A  93
GLU A  94
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
 0.36A 3g88A-2avnA:
11.6		 3g88A-2avnA:
25.09
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.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 11 GLY A  50
GLY A  52
ASP A  71
ALA A  93
GLU A  94
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
 0.35A 3g88B-2avnA:
11.6		 3g88B-2avnA:
25.09
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  50
GLY A  52
ASP A  71
ALA A  93
GLU A  94
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
 0.38A 3g89A-2avnA:
11.6		 3g89A-2avnA:
25.09
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 11 GLY A  50
GLY A  52
ASP A  71
ALA A  93
GLU A  94
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
 0.38A 3g89B-2avnA:
11.7		 3g89B-2avnA:
25.09
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  50
GLY A  52
ASP A  71
ALA A  93
GLU A  94
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
 0.40A 3g8bA-2avnA:
11.4		 3g8bA-2avnA:
25.09
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.
3G8B_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  50
GLY A  52
ASP A  71
ALA A  93
GLU A  94
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
 0.41A 3g8bB-2avnA:
9.8		 3g8bB-2avnA:
25.09
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 ARG A 106
GLY A 101
GLY A 103
LEU A 122
SER A 148
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
None
SAI  A 401 (-4.0A)
 0.72A 3kkzA-1xtpA:
15.5		 3kkzA-1xtpA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  50
GLY A  52
PRO A  72
ALA A  93
LEU A 109
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.2A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
 0.58A 3mteA-2avnA:
10.2		 3mteA-2avnA:
25.98
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 GLY A 101
GLY A 103
PRO A 124
VAL A 125
GLU A 150
 SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.2A)
SAI  A 401 (-4.2A)
SAI  A 401 (-3.3A)
 0.33A 3mteB-1xtpA:
9.9		 3mteB-1xtpA:
22.18
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  52
PRO A  72
ALA A  93
GLU A  94
LEU A 109
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.2A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
SAI  A1300 (-4.7A)
 0.70A 3mteB-2avnA:
10.5		 3mteB-2avnA:
25.98
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
GLY A  52
TRP A  56
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.73A 3ou6A-2avnA:
19.2		 3ou6A-2avnA:
26.29
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
GLY A  52
TRP A  56
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.72A 3ou6B-2avnA:
19.1		 3ou6B-2avnA:
26.29
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.
3OU6_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		3 / 3 TYR A  16
GLY A  52
ASP A  71
 SAI  A1300 (-4.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
 0.20A 3ou6C-2avnA:
18.8		 3ou6C-2avnA:
26.29
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.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
TYR A  16
TRP A  56
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-4.9A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.78A 3ou6D-2avnA:
19.0		 3ou6D-2avnA:
26.29
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 TYR A   9
TYR A  16
GLY A  52
TRP A  56
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-4.9A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.72A 3ou7A-2avnA:
19.0		 3ou7A-2avnA:
26.29
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A  16
GLY A  52
TRP A  56
SER A  73
MET A  76
 SAI  A1300 (-4.9A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.46A 3ou7B-2avnA:
19.1		 3ou7B-2avnA:
26.29
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
TYR A  16
TRP A  56
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-4.9A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.74A 3ou7C-2avnA:
19.0		 3ou7C-2avnA:
26.29
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.
3OU7_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 TYR A   9
TYR A  16
GLY A  52
TRP A  56
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-4.9A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.69A 3ou7D-2avnA:
19.0		 3ou7D-2avnA:
26.29
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 GLY A 101
GLY A 103
PRO A 124
GLU A 150
TRP A  57
 SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.2A)
SAI  A 401 (-3.3A)
SAI  A 401 (-3.8A)
 0.91A 3p2kB-1xtpA:
10.0		 3p2kB-1xtpA:
21.77
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 GLY A 101
GLY A 103
PRO A 124
VAL A 125
GLU A 150
 SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.2A)
SAI  A 401 (-4.2A)
SAI  A 401 (-3.3A)
 0.42A 3p2kB-1xtpA:
10.0		 3p2kB-1xtpA:
21.77
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  52
PRO A  72
ALA A  93
GLU A  94
LEU A 107
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.2A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
None
 1.13A 3p2kB-2avnA:
9.9		 3p2kB-2avnA:
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.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  50
GLY A  52
PRO A  72
ALA A  93
LEU A 107
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.2A)
SAI  A1300 (-3.5A)
None
 1.03A 3p2kC-2avnA:
10.0		 3p2kC-2avnA:
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 ARG A 106
GLY A 101
GLY A 103
MET A 149
TYR A 170
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.4A)
SAI  A 401 (-3.8A)
 1.24A 3sxjA-1xtpA:
15.2		 3sxjA-1xtpA:
22.84
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 ARG A 106
GLY A 101
GLY A 103
SER A 148
MET A 149
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.0A)
SAI  A 401 (-4.4A)
 0.95A 3sxjA-1xtpA:
15.2		 3sxjA-1xtpA:
22.84
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.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 ARG A 106
GLY A 101
GLY A 103
MET A 149
TYR A 170
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.4A)
SAI  A 401 (-3.8A)
 1.24A 3sxjB-1xtpA:
15.3		 3sxjB-1xtpA:
22.84
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.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 ARG A 106
GLY A 101
GLY A 103
SER A 148
MET A 149
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.0A)
SAI  A 401 (-4.4A)
 0.95A 3sxjB-1xtpA:
15.3		 3sxjB-1xtpA:
22.84
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.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 ARG A 106
GLY A 101
GLY A 103
MET A 149
TYR A 170
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.4A)
SAI  A 401 (-3.8A)
 1.14A 3t7sC-1xtpA:
15.5		 3t7sC-1xtpA:
21.45
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.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 ARG A 106
GLY A 101
GLY A 103
SER A 148
MET A 149
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.0A)
SAI  A 401 (-4.4A)
 1.01A 3t7sC-1xtpA:
15.5		 3t7sC-1xtpA:
21.45
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 THR A  53
GLY A  51
GLY A 110
SER A  57
GLU A  82
 None
SAI  A1300 (-3.8A)
SAI  A1300 (-3.4A)
None
None
 0.97A 3tkaA-2avnA:
12.0		 3tkaA-2avnA:
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.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		3 / 3 ASP A  17
GLY A  54
TYR A  16
 None
None
SAI  A1300 (-4.9A)
 0.60A 3w9tC-2avnA:
undetectable		 3w9tC-2avnA:
19.91
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.
3W9T_G_W9TG503_1
(HEMOLYTIC LECTIN
CEL-III)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		3 / 3 ASP A  17
GLY A  54
TYR A  16
 None
None
SAI  A1300 (-4.9A)
 0.60A 3w9tG-2avnA:
undetectable		 3w9tG-2avnA:
19.91
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.
4C5L_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1im8 YECO
(Haemophilus
influenzae) 		5 / 9 GLY A  86
ASP A  88
GLY A  63
VAL A  94
VAL A 120
 None
SAI  A 302 (-2.8A)
SAI  A 302 (-3.8A)
None
None
 1.27A 4c5lB-1im8A:
2.2		 4c5lB-1im8A:
19.86
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1im8 YECO
(Haemophilus
influenzae) 		5 / 10 GLY A  86
ASP A  88
GLY A  63
VAL A  94
VAL A 120
 None
SAI  A 302 (-2.8A)
SAI  A 302 (-3.8A)
None
None
 1.21A 4c5lC-1im8A:
undetectable		 4c5lC-1im8A:
19.86
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.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1im8 YECO
(Haemophilus
influenzae) 		5 / 10 GLY A  86
ASP A  88
GLY A  63
VAL A  94
VAL A 120
 None
SAI  A 302 (-2.8A)
SAI  A 302 (-3.8A)
None
None
 1.26A 4c5nB-1im8A:
3.1		 4c5nB-1im8A:
19.86
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1im8 YECO
(Haemophilus
influenzae) 		5 / 10 GLY A  86
ASP A  88
GLY A  63
VAL A  94
VAL A 120
 None
SAI  A 302 (-2.8A)
SAI  A 302 (-3.8A)
None
None
 1.23A 4c5nD-1im8A:
3.3		 4c5nD-1im8A:
19.86
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.
4F84_A_SAMA501_0
(GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  50
GLY A  52
VAL A  70
TYR A 115
VAL A 116
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.8A)
SAI  A1300 ( 4.0A)
 1.01A 4f84A-2avnA:
15.2		 4f84A-2avnA:
24.70
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  51
GLY A  52
SER A  73
ALA A  93
VAL A 112
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.9A)
 0.54A 4htfA-2avnA:
24.2		 4htfA-2avnA:
25.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  51
GLY A  52
SER A  73
VAL A 112
VAL A 116
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.9A)
SAI  A1300 ( 4.0A)
 0.56A 4htfA-2avnA:
24.2		 4htfA-2avnA:
25.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  51
GLY A  52
SER A  73
ALA A  93
VAL A 112
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.9A)
 0.53A 4htfB-2avnA:
22.9		 4htfB-2avnA:
25.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  51
GLY A  52
SER A  73
VAL A 112
VAL A 116
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.9A)
SAI  A1300 ( 4.0A)
 0.50A 4htfB-2avnA:
22.9		 4htfB-2avnA:
25.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA501_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 THR A  53
THR A 139
ASP A  48
ASP A  71
GLU A  94
 None
None
SAI  A1300 ( 4.9A)
SAI  A1300 (-2.9A)
SAI  A1300 (-3.0A)
 1.23A 4i41A-2avnA:
undetectable		 4i41A-2avnA:
23.67
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.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1im8 YECO
(Haemophilus
influenzae) 		6 / 12 GLY A  63
ASP A  88
MET A  93
ASP A 116
ILE A 117
LEU A 137
 SAI  A 302 (-3.8A)
SAI  A 302 (-2.8A)
SAI  A 302 (-4.1A)
SAI  A 302 (-3.1A)
SAI  A 302 (-4.1A)
None
 0.83A 4iv8A-1im8A:
18.1		 4iv8A-1im8A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1im8 YECO
(Haemophilus
influenzae) 		6 / 12 GLY A  63
ASP A  88
MET A  93
ASP A 116
ILE A 117
LEU A 137
 SAI  A 302 (-3.8A)
SAI  A 302 (-2.8A)
SAI  A 302 (-4.1A)
SAI  A 302 (-3.1A)
SAI  A 302 (-4.1A)
None
 0.87A 4iv8B-1im8A:
18.1		 4iv8B-1im8A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_A_SAMA900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
GLY A  50
GLY A  52
SER A  73
ALA A  93
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.5A)
 0.74A 4krhA-2avnA:
18.0		 4krhA-2avnA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A   9
GLY A  50
GLY A  52
SER A  73
ALA A  93
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.5A)
 0.75A 4krhB-2avnA:
18.4		 4krhB-2avnA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QDJ_A_SAMA301_0
(MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  52
SER A  73
MET A  76
LEU A  49
VAL A 112
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
None
SAI  A1300 (-3.9A)
 1.16A 4qdjA-2avnA:
17.8		 4qdjA-2avnA:
23.44
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.
4QDJ_A_SAMA301_0
(MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  52
SER A  73
MET A  76
LEU A 109
VAL A 112
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.9A)
 0.38A 4qdjA-2avnA:
17.8		 4qdjA-2avnA:
23.44
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.
4QTU_B_SAMB301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 GLY A 101
GLY A 103
MET A 128
MET A 149
ILE A 107
 SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 ( 4.9A)
SAI  A 401 (-4.4A)
SAI  A 401 (-4.9A)
 1.09A 4qtuB-1xtpA:
15.5		 4qtuB-1xtpA:
22.14
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.
4QTU_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 GLY A 101
GLY A 103
MET A 128
MET A 149
ILE A 107
 SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 ( 4.9A)
SAI  A 401 (-4.4A)
SAI  A 401 (-4.9A)
 1.01A 4qtuD-1xtpA:
15.2		 4qtuD-1xtpA:
22.14
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.
4QTU_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A  16
GLY A  50
GLY A  52
SER A  73
MET A  76
 SAI  A1300 (-4.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.36A 4qtuD-2avnA:
16.6		 4qtuD-2avnA:
21.64
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 LEU A  47
LEU A  77
ALA A  80
GLY A  51
GLY A  54
 None
None
None
SAI  A1300 (-3.8A)
None
 0.87A 4rn6B-2avnA:
undetectable		 4rn6B-2avnA:
22.81
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.
5BW4_A_SAMA301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  52
ASP A  71
PRO A  72
GLU A  94
LEU A 107
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-4.2A)
SAI  A1300 (-3.0A)
None
 0.92A 5bw4A-2avnA:
3.7		 5bw4A-2avnA:
26.21
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.
5BW4_A_SAMA301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		6 / 12 GLY A  50
GLY A  52
ASP A  71
PRO A  72
GLU A  94
LEU A 109
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-4.2A)
SAI  A1300 (-3.0A)
SAI  A1300 (-4.7A)
 0.68A 5bw4A-2avnA:
3.7		 5bw4A-2avnA:
26.21
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.
5DPD_B_SAMB601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A  50
ASP A  71
SER A  73
VAL A 112
VAL A 116
 SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.9A)
SAI  A1300 ( 4.0A)
 0.74A 5dpdB-2avnA:
13.1		 5dpdB-2avnA:
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.
5IL1_A_SAMA601_0
(METTL3)		 1im8 YECO
(Haemophilus
influenzae) 		5 / 12 ASP A 116
ILE A 117
ARG A 118
LEU A 137
GLY A  63
 SAI  A 302 (-3.1A)
SAI  A 302 (-4.1A)
SAI  A 302 ( 4.5A)
None
SAI  A 302 (-3.8A)
 1.07A 5il1A-1im8A:
undetectable		 5il1A-1im8A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J6H_A_NCAA402_0
(H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, Q10 ALPHA
CHAIN)		 1im8 YECO
(Haemophilus
influenzae) 		3 / 3 PRO A 138
ARG A 118
GLU A 140
 None
SAI  A 302 ( 4.5A)
None
 0.97A 5j6hA-1im8A:
0.0		 5j6hA-1im8A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 1im8 YECO
(Haemophilus
influenzae) 		5 / 12 ASP A 116
ILE A 117
ARG A 118
LEU A 137
GLY A  63
 SAI  A 302 (-3.1A)
SAI  A 302 (-4.1A)
SAI  A 302 ( 4.5A)
None
SAI  A 302 (-3.8A)
 1.13A 5k7uA-1im8A:
1.5		 5k7uA-1im8A:
20.38
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.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 1im8 YECO
(Haemophilus
influenzae) 		5 / 12 THR A 133
ALA A  68
GLY A  67
ALA A  69
ILE A  42
 SAI  A 302 ( 3.7A)
SAI  A 302 ( 4.0A)
None
SAI  A 302 ( 3.9A)
None
 0.87A 5kb6A-1im8A:
3.7		 5kb6A-1im8A:
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.
5ODQ_A_ACTA703_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 1im8 YECO
(Haemophilus
influenzae) 		4 / 6 ARG A 142
ARG A 118
ALA A 144
GLU A 140
 None
SAI  A 302 ( 4.5A)
None
None
 1.28A 5odqA-1im8A:
3.3		 5odqA-1im8A:
16.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UBB_A_SAMA301_0
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 GLY A 101
SER A 148
GLN A 165
TRP A 166
LEU A 171
 SAI  A 401 (-3.4A)
SAI  A 401 (-4.0A)
SAI  A 401 (-4.6A)
None
None
 0.47A 5ubbA-1xtpA:
32.5		 5ubbA-1xtpA:
31.15
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1xtp LMAJ004091AAA
(Leishmania
major) 		5 / 12 TYR A  50
GLU A 150
LEU A 224
LEU A 214
ALA A 168
 None
SAI  A 401 (-3.3A)
None
None
None
 1.14A 5v0vA-1xtpA:
undetectable		 5v0vA-1xtpA:
18.50
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.
6B5V_B_ECLB1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 1xtp LMAJ004091AAA
(Leishmania
major) 		4 / 7 ALA A  87
ILE A 107
LEU A 111
ILE A 193
 None
SAI  A 401 (-4.9A)
None
None
 0.79A 6b5vA-1xtpA:
undetectable
6b5vB-1xtpA:
undetectable		 6b5vA-1xtpA:
15.48
6b5vB-1xtpA:
15.48