SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DTU'


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.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 1.04A 1hsgB-2h00A:
undetectable		 1hsgB-2h00A:
17.70
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.
1JWJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE)		 3i9u HEME OXYGENASE 1
(Rattus
norvegicus) 		4 / 4 MET A  34
ARG A 136
ILE A 211
PHE A 214
 HEM  A 300 (-3.8A)
DTU  A2001 (-3.1A)
None
HEM  A 300 (-4.5A)
 1.33A 1jwjA-3i9uA:
0.0		 1jwjA-3i9uA:
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.
1JWJ_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 3i9u HEME OXYGENASE 1
(Rattus
norvegicus) 		4 / 4 MET A  34
ARG A 136
ILE A 211
PHE A 214
 HEM  A 300 (-3.8A)
DTU  A2001 (-3.1A)
None
HEM  A 300 (-4.5A)
 1.32A 1jwjB-3i9uA:
0.0		 1jwjB-3i9uA:
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2
(Trypanosoma
brucei) 		5 / 9 LEU A 323
VAL A 193
VAL A 349
GLY A 191
LEU A 312
 None
None
DTU  A 489 (-4.2A)
None
None
 1.42A 1lwfA-3gueA:
undetectable		 1lwfA-3gueA:
24.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		7 / 7 TYR A  30
THR A  73
GLU A  76
THR A 102
SER A 126
VAL A 167
MET A 197
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.0A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 (-4.2A)
 0.00A 1tv8A-1tv8A:
55.3		 1tv8A-1tv8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TV8_B_SAMB2501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		6 / 7 THR A  73
GLU A  76
THR A 102
SER A 126
VAL A 167
MET A 197
 SAM  A1501 (-4.0A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 (-4.2A)
 0.30A 1tv8B-1tv8A:
51.8		 1tv8B-1tv8A:
100.00
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 10 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.98A 2aquA-2h00A:
undetectable		 2aquA-2h00A:
17.70
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.
2F80_B_017B301_2
(POL POLYPROTEIN)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.98A 2f80B-2h00A:
undetectable		 2f80B-2h00A:
19.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		8 / 8 TYR A  30
CYH A  31
THR A  73
GLU A  76
THR A 102
SER A 126
VAL A 167
MET A 197
 SAM  A1501 ( 4.5A)
SF4  A1401 (-2.3A)
SAM  A1501 (-4.0A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 (-4.2A)
 0.16A 2fb2A-1tv8A:
53.1		 2fb2A-1tv8A:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FB2_B_SAMB501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		7 / 7 TYR A  30
THR A  73
GLU A  76
THR A 102
SER A 126
VAL A 167
MET A 197
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.0A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 (-4.2A)
 0.25A 2fb2B-1tv8A:
51.6		 2fb2B-1tv8A:
99.12
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.92A 2pymA-2h00A:
undetectable		 2pymA-2h00A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.93A 2pymB-2h00A:
undetectable		 2pymB-2h00A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.92A 2pynA-2h00A:
undetectable		 2pynA-2h00A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.92A 2pynB-2h00A:
undetectable		 2pynB-2h00A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.91A 2q63B-2h00A:
undetectable		 2q63B-2h00A:
17.70
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.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.95A 2qakB-2h00A:
undetectable		 2qakB-2h00A:
17.70
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.94A 2qhcB-2h00A:
undetectable		 2qhcB-2h00A:
17.70
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.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.91A 2z54B-2h00A:
undetectable		 2z54B-2h00A:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYW_A_017A201_1
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.93A 3cywA-2h00A:
undetectable		 3cywA-2h00A:
19.55
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.
3CYX_A_ROCA201_1
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.93A 3cyxA-2h00A:
undetectable		 3cyxA-2h00A:
18.99
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.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.90A 3cyxB-2h00A:
undetectable		 3cyxB-2h00A:
18.99
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.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.98A 3d1xB-2h00A:
undetectable		 3d1xB-2h00A:
17.70
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.
3DZG_B_NCAB302_0
(ADP-RIBOSYL CYCLASE
1)		 4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(unidentified) 		4 / 7 LEU A 158
ASP A 355
TRP A 353
THR A 129
 DTU  A 501 (-4.4A)
None
None
None
 1.08A 3dzgB-4e4uA:
2.3		 3dzgB-4e4uA:
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.
3EM4_A_DR7A100_1
(PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 11 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.85A 3em4A-2h00A:
undetectable		 3em4A-2h00A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_V_DR7V100_1
(PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 11 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.91A 3em4U-2h00A:
undetectable		 3em4U-2h00A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IIZ_A_SAMA1501_0
(BIOTIN SYNTHETASE,
PUTATIVE)		 3i9u HEME OXYGENASE 1
(Rattus
norvegicus) 		5 / 12 TYR A  58
SER A 142
GLY A 144
ILE A  65
LEU A  83
 None
HEM  A 300 (-3.8A)
DTU  A2001 (-3.9A)
None
None
 1.15A 3iizA-3i9uA:
undetectable		 3iizA-3i9uA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.95A 3lzsA-2h00A:
undetectable		 3lzsA-2h00A:
18.22
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.
3LZS_A_017A200_2
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 1.00A 3lzsB-2h00A:
undetectable		 3lzsB-2h00A:
18.22
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.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.98A 3lzuA-2h00A:
undetectable		 3lzuA-2h00A:
18.22
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.
3PWM_B_017B402_1
(PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 1.00A 3pwmA-2h00A:
undetectable		 3pwmA-2h00A:
18.99
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.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)		 3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2
(Trypanosoma
brucei) 		5 / 10 LEU A 323
VAL A 193
VAL A 349
GLY A 191
LEU A 312
 None
None
DTU  A 489 (-4.2A)
None
None
 1.50A 3qipA-3gueA:
undetectable		 3qipA-3gueA:
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 3i9u HEME OXYGENASE 1
(Rattus
norvegicus) 		4 / 8 ALA A 133
LEU A  77
ASP A 140
TYR A 182
 None
None
DTU  A2001 (-4.5A)
None
 0.94A 3qj7A-3i9uA:
undetectable
3qj7D-3i9uA:
undetectable		 3qj7A-3i9uA:
20.95
3qj7D-3i9uA:
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.
3TKG_C_ROCC901_1
(PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 1.03A 3tkgC-2h00A:
undetectable		 3tkgC-2h00A:
20.00
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.
3TKW_B_017B401_1
(PROTEASE)		 2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.98A 3tkwA-2h00A:
undetectable		 3tkwA-2h00A:
20.00
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.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		6 / 12 TYR A  30
GLU A  76
ASN A 104
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.90A 4k36A-1tv8A:
18.7		 4k36A-1tv8A:
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.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 12 TYR A  30
GLU A  76
ASN A 104
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.81A 4k36B-1tv8A:
18.7		 4k36B-1tv8A:
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.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 11 TYR A  30
GLU A  76
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.90A 4k37A-1tv8A:
18.5		 4k37A-1tv8A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		6 / 11 TYR A  30
GLU A  76
ASN A 104
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.96A 4k37B-1tv8A:
18.9		 4k37B-1tv8A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K38_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME
KP18CYS PEPTIDE)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 12 TYR A  30
GLU A  76
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.91A 4k38A-1tv8A:
18.9
4k38D-1tv8A:
undetectable		 4k38A-1tv8A:
22.89
4k38D-1tv8A:
5.88
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.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		6 / 12 TYR A  30
GLU A  76
ASN A 104
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.96A 4k39A-1tv8A:
18.6		 4k39A-1tv8A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HBM_A_NVPA601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2
(Trypanosoma
brucei) 		5 / 11 LEU A 323
VAL A 193
VAL A 349
GLY A 191
LEU A 312
 None
None
DTU  A 489 (-4.2A)
None
None
 1.44A 5hbmA-3gueA:
undetectable		 5hbmA-3gueA:
24.09
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.
6BSI_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2
(Trypanosoma
brucei) 		5 / 10 LEU A 323
VAL A 193
VAL A 349
GLY A 191
LEU A 312
 None
None
DTU  A 489 (-4.2A)
None
None
 1.40A 6bsiA-3gueA:
undetectable		 6bsiA-3gueA:
11.16
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.
6BSJ_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2
(Trypanosoma
brucei) 		5 / 10 LEU A 323
VAL A 193
VAL A 349
GLY A 191
LEU A 312
 None
None
DTU  A 489 (-4.2A)
None
None
 1.48A 6bsjA-3gueA:
1.3		 6bsjA-3gueA:
11.16