SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1xru'

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.
1DSC_C_DVAC2_0
(ACTINOMYCIN D)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 THR A 120
PRO A 123
THR A 122
 None
 0.95A 1dscC-1xruA:
undetectable		 1dscC-1xruA:
4.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HMY_A_SAMA328_0
(HAEIII
METHYLTRANSFERASE)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		4 / 8 PHE A 126
ILE A  89
THR A  90
PRO A  52
 None
 0.90A 1hmyA-1xruA:
undetectable		 1hmyA-1xruA:
19.94
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.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		5 / 11 HIS A 196
HIS A 198
GLU A 203
HIS A 218
TYR A 205
 ZN  A 501 (-3.4A)
ZN  A 501 (-3.2A)
ZN  A 501 (-2.9A)
None
None
 1.50A 1j37A-1xruA:
undetectable		 1j37A-1xruA:
17.02
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.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		5 / 11 HIS A 196
HIS A 198
GLU A 203
HIS A 218
TYR A 205
 ZN  A 501 (-3.4A)
ZN  A 501 (-3.2A)
ZN  A 501 (-2.9A)
None
None
 1.49A 1j37B-1xruA:
undetectable		 1j37B-1xruA:
17.02
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		5 / 10 LEU A  67
VAL A  59
ILE A  50
GLY A  49
GLY A  48
 None
 1.08A 1k6cA-1xruA:
undetectable		 1k6cA-1xruA:
15.24
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.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		4 / 6 ARG A  21
TYR A 127
ASN A 129
GLU A  27
 None
 1.32A 1rjdB-1xruA:
undetectable		 1rjdB-1xruA:
19.20
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.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		4 / 6 ARG A  21
TYR A 127
ASN A 129
GLU A  27
 None
 1.33A 1rjdC-1xruA:
undetectable		 1rjdC-1xruA:
19.20
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.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		6 / 12 GLY A  79
VAL A  59
ILE A  50
GLY A  49
GLY A  48
VAL A  47
 None
 1.07A 2avsA-1xruA:
undetectable		 2avsA-1xruA:
13.43
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.
316D_C_DVAC2_0
(8-FLUORO-ACTINOMYCIN
D)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 THR A 120
PRO A 123
THR A 122
 None
 0.89A 316dC-1xruA:
undetectable		 316dC-1xruA:
4.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 4 SER A  -1
GLY A  48
GLU A 234
 None
 0.66A 3raeA-1xruA:
undetectable
3raeC-1xruA:
undetectable		 3raeA-1xruA:
19.11
3raeC-1xruA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IMA_D_ADND604_1
(PYRUVATE KINASE)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 ARG A 101
GLU A 183
ASN A 164
 None
 0.55A 4imaD-1xruA:
undetectable		 4imaD-1xruA:
18.85
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.
4IP7_D_ADND604_1
(PYRUVATE KINASE
ISOZYMES L)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 ARG A 101
GLU A 183
ASN A 164
 None
 0.58A 4ip7D-1xruA:
undetectable		 4ip7D-1xruA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 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_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		4 / 8 MET A 179
VAL A 171
VAL A 106
GLY A 107
 None
 0.98A 4mk4A-1xruA:
undetectable		 4mk4A-1xruA:
19.61
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.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		5 / 10 ALA A 103
ILE A  81
TYR A 127
PHE A 167
GLY A  79
 None
 1.09A 5i6xA-1xruA:
undetectable		 5i6xA-1xruA:
18.78
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.
5JSD_A_1GNA607_1
(PHIAB6 TAILSPIKE)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 THR A 192
SER A 246
TYR A 205
 None
 0.80A 5jsdA-1xruA:
undetectable		 5jsdA-1xruA:
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.
5JSD_B_1GNB618_1
(PHIAB6 TAILSPIKE)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 THR A 192
SER A 246
TYR A 205
 None
 0.80A 5jsdB-1xruA:
2.1		 5jsdB-1xruA:
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.
5JSD_C_1GNC608_1
(PHIAB6 TAILSPIKE)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 THR A 192
SER A 246
TYR A 205
 None
 0.80A 5jsdC-1xruA:
1.9		 5jsdC-1xruA:
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.
5JSE_A_1GNA608_1
(PHIAB6 TAILSPIKE)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 THR A 192
SER A 246
TYR A 205
 None
 0.80A 5jseA-1xruA:
2.2		 5jseA-1xruA:
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.
5JSE_B_1GNB611_1
(PHIAB6 TAILSPIKE)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 THR A 192
SER A 246
TYR A 205
 None
 0.80A 5jseB-1xruA:
2.1		 5jseB-1xruA:
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.
5JSE_C_1GNC611_1
(PHIAB6 TAILSPIKE)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		3 / 3 THR A 192
SER A 246
TYR A 205
 None
 0.81A 5jseC-1xruA:
2.0		 5jseC-1xruA:
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.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		5 / 12 LEU A 104
ALA A 103
VAL A 142
TYR A 166
ALA A 133
 None
 1.15A 5n5dB-1xruA:
undetectable		 5n5dB-1xruA:
21.48
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		5 / 12 PHE A  72
ILE A 256
PHE A 167
THR A 174
ALA A 131
 None
 1.14A 5vcgA-1xruA:
undetectable		 5vcgA-1xruA:
19.11
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.
6NJ9_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE
(Escherichia
coli) 		5 / 12 GLY A  79
GLY A  49
VAL A  59
PHE A  30
PHE A 115
 None
 1.05A 6nj9K-1xruA:
undetectable		 6nj9K-1xruA:
20.09