SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MSP'


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.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
5 / 12 HIS A  21
GLY A  23
GLY A 257
ASP A 259
HIS A 286
MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.4A)
0.79A 1ffyA-2ct8A:
25.0
1ffyA-2ct8A:
22.20
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.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
5 / 12 HIS A  24
GLY A  23
GLY A 257
ASP A 259
HIS A 286
MSP  A 501 (-4.2A)
MSP  A 501 (-3.6A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.4A)
1.19A 1ffyA-2ct8A:
25.0
1ffyA-2ct8A:
22.20
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.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
7 / 11 HIS A  21
GLY A  23
HIS A  24
GLY A 257
ASP A 259
ILE A 260
HIS A 286
MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.1A)
MSP  A 501 (-4.4A)
0.55A 1pg2A-2ct8A:
40.6
1pg2A-2ct8A:
28.37
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.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
6 / 12 HIS A  21
GLY A  23
HIS A  24
GLY A 257
ASP A 259
HIS A 286
MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.4A)
0.79A 1qu2A-2ct8A:
25.0
1qu2A-2ct8A:
22.20
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.
1QU3_A_MRCA993_1
(ISOLEUCYL-TRNA
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
5 / 12 HIS A  21
GLY A  23
HIS A  24
ASP A 259
HIS A 286
MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.4A)
0.94A 1qu3A-2ct8A:
29.4
1qu3A-2ct8A:
22.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
8 / 11 HIS A  21
GLY A  23
HIS A  24
GLY A 257
ASP A 259
ILE A 260
HIS A 286
TRP A 288
MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.1A)
MSP  A 501 (-4.4A)
MSP  A 501 (-3.5A)
0.48A 2x1lA-2ct8A:
44.1
2x1lA-2ct8A:
44.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X1L_B_ADNB601_1
(METHIONYL-TRNA
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
8 / 12 HIS A  21
GLY A  23
HIS A  24
GLY A 257
ASP A 259
ILE A 260
HIS A 286
TRP A 288
MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.1A)
MSP  A 501 (-4.4A)
MSP  A 501 (-3.5A)
0.46A 2x1lB-2ct8A:
47.1
2x1lB-2ct8A:
44.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
8 / 11 HIS A  21
GLY A  23
HIS A  24
GLY A 257
ASP A 259
ILE A 260
HIS A 286
TRP A 288
MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.1A)
MSP  A 501 (-4.4A)
MSP  A 501 (-3.5A)
0.46A 2x1lC-2ct8A:
46.8
2x1lC-2ct8A:
44.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
5 / 11 HIS A  24
GLY A  23
GLY A 257
ASP A 259
HIS A 286
MSP  A 501 (-4.2A)
MSP  A 501 (-3.6A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.4A)
1.08A 2x1lC-2ct8A:
46.8
2x1lC-2ct8A:
44.21
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.
3EKT_B_017B200_2
(PROTEASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
5 / 9 ASP A  52
GLY A 216
PRO A  69
ALA A  62
ILE A  58
MSP  A 501 (-3.9A)
None
None
None
None
1.08A 3ektB-2ct8A:
undetectable
3ektB-2ct8A:
13.17
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.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
3 / 3 ASN A 236
LEU A 272
PHE A 263
MSP  A 501 (-4.7A)
None
None
0.82A 5dsgA-2ct8A:
undetectable
5dsgA-2ct8A:
20.27
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.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
5 / 12 HIS A  21
GLY A  23
HIS A  24
VAL A 229
ASP A 259
MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
None
MSP  A 501 (-3.0A)
1.01A 5hg0B-2ct8A:
6.4
5hg0B-2ct8A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
5 / 12 HIS A  21
GLY A  23
HIS A  24
VAL A 229
GLY A 257
MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
None
MSP  A 501 (-2.9A)
0.89A 5hg0B-2ct8A:
6.4
5hg0B-2ct8A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWA_A_GCSA302_1
(CHITOSANASE)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
4 / 7 THR A  97
ASP A  52
ASP A 232
GLY A  55
None
MSP  A 501 (-3.9A)
None
None
0.89A 5hwaA-2ct8A:
undetectable
5hwaA-2ct8A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MXB_A_ML1A222_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus)
5 / 10 VAL A 283
THR A 265
LEU A 234
GLY A 257
ALA A 285
None
None
MSP  A 501 ( 4.6A)
MSP  A 501 (-2.9A)
None
0.96A 5mxbA-2ct8A:
undetectable
5mxbA-2ct8A:
11.68