SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3msg'

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.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 12 PRO A 218
SER A 219
ARG A 224
ILE A 227
LEU A 242
 None
 1.27A 1kglA-3msgA:
undetectable		 1kglA-3msgA:
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.
1LQU_B_ACTB1430_0
(FPRA)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A 296
ASP A 316
LYS A 309
 None
 1.10A 1lquB-3msgA:
undetectable		 1lquB-3msgA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q6I_B_FK5B401_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 10 ASP A 130
ARG A  79
VAL A 119
ILE A 115
ILE A 132
 None
 1.34A 1q6iB-3msgA:
undetectable		 1q6iB-3msgA:
21.85
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.
1Q97_B_ADNB486_1
(SR PROTEIN KINASE)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		4 / 4 VAL A  38
ALA A  20
LEU A 313
PHE A 290
 None
 0.94A 1q97B-3msgA:
undetectable		 1q97B-3msgA:
20.88
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A 130
ASN A 133
THR A  89
 None
XYP  A 450 (-3.3A)
None
 0.77A 2q63B-3msgA:
undetectable		 2q63B-3msgA:
15.31
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.
2RCT_A_RTLA140_1
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 GLN A  30
THR A 289
TRP A 291
 None
None
XYP  A 450 ( 4.1A)
 1.07A 2rctA-3msgA:
undetectable		 2rctA-3msgA:
19.64
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.
2XDC_A_DVAA8_0
(GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 244
TRP A 291
TRP A 299
 None
XYP  A 450 ( 4.1A)
XYP  A 450 ( 4.0A)
 1.39A 2xdcA-3msgA:
undetectable
2xdcB-3msgA:
undetectable		 2xdcA-3msgA:
4.10
2xdcB-3msgA:
4.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XDC_B_DVAB8_0
(GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 TRP A 299
VAL A 244
TRP A 291
 XYP  A 450 ( 4.0A)
None
XYP  A 450 ( 4.1A)
 1.41A 2xdcA-3msgA:
undetectable
2xdcB-3msgA:
undetectable		 2xdcA-3msgA:
4.10
2xdcB-3msgA:
4.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y5M_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 244
TRP A 291
TRP A 299
 None
XYP  A 450 ( 4.1A)
XYP  A 450 ( 4.0A)
 1.40A 2y5mA-3msgA:
undetectable
2y5mB-3msgA:
undetectable		 2y5mA-3msgA:
4.10
2y5mB-3msgA:
4.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6N_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 244
TRP A 291
TRP A 299
 None
XYP  A 450 ( 4.1A)
XYP  A 450 ( 4.0A)
 1.39A 2y6nA-3msgA:
undetectable
2y6nB-3msgA:
undetectable		 2y6nA-3msgA:
4.10
2y6nB-3msgA:
4.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6N_B_DVAB8_0
(VAL-GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 TRP A 299
VAL A 244
TRP A 291
 XYP  A 450 ( 4.0A)
None
XYP  A 450 ( 4.1A)
 1.40A 2y6nA-3msgA:
undetectable
2y6nB-3msgA:
undetectable		 2y6nA-3msgA:
4.10
2y6nB-3msgA:
4.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 10 ASP A 130
ARG A  79
VAL A 119
ILE A 115
ILE A 132
 None
 1.45A 3ihzA-3msgA:
undetectable		 3ihzA-3msgA:
14.83
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.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 10 ASP A 130
ARG A  79
VAL A 119
ILE A 115
ILE A 132
 None
 1.46A 3uf8A-3msgA:
undetectable		 3uf8A-3msgA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 11 SER A 147
ILE A 153
LEU A 107
PHE A 101
VAL A  93
 None
 0.98A 3w67A-3msgA:
2.2		 3w67A-3msgA:
21.33
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.
3W68_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 12 SER A 147
ILE A 153
LEU A 107
PHE A 101
VAL A  93
 None
 1.04A 3w68A-3msgA:
2.5		 3w68A-3msgA:
21.33
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.
3W68_B_VIVB301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 12 SER A 147
ILE A 153
LEU A 107
PHE A 101
VAL A  93
 None
 0.95A 3w68B-3msgA:
undetectable		 3w68B-3msgA:
21.33
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.
3W68_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 12 VAL A 244
VAL A  38
PHE A 275
ILE A 223
ILE A 239
 None
 0.90A 3w68D-3msgA:
2.0		 3w68D-3msgA:
21.33
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.
3ZQ8_A_DVAA8_0
(VAL-GRAMICIDIN A)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		3 / 3 VAL A 244
TRP A 291
TRP A 299
 None
XYP  A 450 ( 4.1A)
XYP  A 450 ( 4.0A)
 1.37A 3zq8A-3msgA:
undetectable
3zq8B-3msgA:
undetectable		 3zq8A-3msgA:
4.10
3zq8B-3msgA:
4.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0O_A_URFA303_1
(RRNA N-GLYCOSIDASE)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		4 / 5 TYR A 179
ASN A 177
TYR A 176
ILE A 190
 XYP  A 449 (-3.4A)
None
None
None
 1.32A 4o0oA-3msgA:
undetectable		 4o0oA-3msgA:
21.52
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 11 SER A 287
GLY A  80
THR A 289
LEU A  83
ILE A 126
 None
 1.12A 4pghA-3msgA:
undetectable		 4pghA-3msgA:
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.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 12 VAL A 288
PHE A  16
LEU A   8
VAL A 329
GLY A 272
 None
None
None
None
GOL  A 475 (-3.4A)
 1.37A 5i8fA-3msgA:
undetectable		 5i8fA-3msgA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_F_Z80F401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 10 ILE A 223
ILE A 274
PHE A 275
ASP A 243
ILE A 239
 None
 1.20A 5lg3F-3msgA:
undetectable		 5lg3F-3msgA:
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.
5LG3_G_Z80G401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 10 ILE A 223
ILE A 274
PHE A 275
ASP A 243
ILE A 239
 None
 1.23A 5lg3G-3msgA:
undetectable		 5lg3G-3msgA:
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.
5LG3_H_Z80H401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 10 ILE A 223
ILE A 274
PHE A 275
ASP A 243
ILE A 239
 None
 1.25A 5lg3H-3msgA:
undetectable		 5lg3H-3msgA:
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.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		4 / 6 ALA A 211
GLY A 292
ILE A  18
PHE A  12
 None
 0.85A 6f8cA-3msgA:
undetectable		 6f8cA-3msgA:
13.56
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.
6MKE_D_FK5D201_1
(PEPTIDYLPROLYL
ISOMERASE)		 3msg INTRA-CELLULAR
XYLANASE IXT6
(Geobacillus
stearothermophil
us) 		5 / 10 ASP A 130
ARG A  79
VAL A 119
ILE A 115
ILE A 132
 None
 1.47A 6mkeD-3msgA:
undetectable		 6mkeD-3msgA:
13.62