SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3doc'

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.
1A29_A_TFPA154_1
(CALMODULIN)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 10 GLU A 264
ALA A 266
LEU A 274
LEU A 165
GLU A 257
 None
 1.26A 1a29A-3docA:
undetectable		 1a29A-3docA:
17.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_G_CCSG149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		6 / 7 SER A 152
THR A 154
ASN A 156
CYH A 157
TYR A 314
ASN A 316
 None
None
None
None
None
NAD  A 901 (-3.9A)
 0.23A 1dssG-3docA:
48.4		 1dssG-3docA:
46.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_R_CCSR149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		7 / 8 SER A 152
THR A 154
ASN A 156
CYH A 157
HIS A 180
TYR A 314
ASN A 316
 None
None
None
None
None
None
NAD  A 901 (-3.9A)
 0.42A 1dssR-3docA:
48.3		 1dssR-3docA:
46.75
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.
1FBM_B_RTLB951_2
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		4 / 4 THR A 154
LEU A 158
VAL A 161
LEU A 165
 None
 0.65A 1fbmD-3docA:
undetectable		 1fbmD-3docA:
8.73
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.
1FBM_B_RTLB951_3
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		4 / 5 THR A 154
LEU A 158
VAL A 161
LEU A 165
 None
 0.54A 1fbmE-3docA:
undetectable		 1fbmE-3docA:
8.73
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.
1KIA_B_SAMB1293_1
(GLYCINE
N-METHYLTRANSFERASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		4 / 5 ASP A 326
SER A 325
ASN A 150
SER A 290
 None
 1.47A 1kiaB-3docA:
3.9		 1kiaB-3docA:
24.31
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.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		4 / 4 THR A 154
LEU A 158
VAL A 161
LEU A 165
 None
 0.95A 1mz9D-3docA:
undetectable		 1mz9D-3docA:
8.51
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.
1Q23_B_FUAB703_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 LEU A 165
VAL A 161
PHE A 295
VAL A 258
THR A 253
 None
 1.05A 1q23B-3docA:
undetectable		 1q23B-3docA:
19.28
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.
1Q23_F_FUAF704_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 11 LEU A 165
VAL A 161
PHE A 295
VAL A 258
THR A 253
 None
 1.13A 1q23F-3docA:
undetectable		 1q23F-3docA:
19.28
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 10 LEU A 219
ALA A 123
ALA A 151
LEU A 130
ASP A 126
 None
NAD  A 901 (-3.6A)
None
None
None
 1.16A 1rlbE-3docA:
undetectable		 1rlbE-3docA:
20.96
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.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 VAL A 217
GLY A 212
LEU A 245
THR A 178
THR A 155
 None
 1.09A 2egvA-3docA:
2.6		 2egvA-3docA:
24.85
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.
2JIH_A_097A1001_1
(ADAMTS-1)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 9 LEU A  18
GLU A  23
HIS A 288
HIS A  53
LEU A  47
 None
 1.42A 2jihA-3docA:
undetectable		 2jihA-3docA:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DMT_C_CCSC166_0
(GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
GLYCOSOMAL)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		7 / 8 SER A 152
THR A 154
ASN A 156
CYH A 157
HIS A 180
TYR A 314
ASN A 316
 None
None
None
None
None
None
NAD  A 901 (-3.9A)
 0.41A 3dmtC-3docA:
47.7		 3dmtC-3docA:
47.89
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 9 LEU A 245
VAL A 308
LEU A 224
ALA A 249
ALA A 162
 None
 1.13A 3mdvA-3docA:
undetectable		 3mdvA-3docA:
22.93
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.
3SUE_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 GLY A  11
ASP A  36
ARG A  80
GLY A 100
PHE A 102
 NAD  A 901 (-2.2A)
NAD  A 901 (-3.6A)
None
NAD  A 901 ( 3.8A)
None
 1.18A 3sueD-3docA:
undetectable		 3sueD-3docA:
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.
4AGA_A_ACTA1131_0
(LYSOZYME C)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		3 / 3 ASN A 239
ASP A 315
ASN A 316
 None
None
NAD  A 901 (-3.9A)
 0.72A 4agaA-3docA:
undetectable		 4agaA-3docA:
15.68
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.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 11 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 901 (-3.3A)
NAD  A 901 (-3.4A)
None
None
NAD  A 901 (-3.6A)
 1.30A 4fogA-3docA:
undetectable		 4fogA-3docA:
22.10
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.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 11 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 901 (-3.3A)
NAD  A 901 (-3.4A)
None
None
NAD  A 901 (-3.6A)
 1.27A 4fogC-3docA:
undetectable		 4fogC-3docA:
22.10
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.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 901 (-3.3A)
NAD  A 901 (-3.4A)
None
None
NAD  A 901 (-3.6A)
 1.30A 4foxE-3docA:
undetectable		 4foxE-3docA:
22.10
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.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 11 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 901 (-3.3A)
NAD  A 901 (-3.4A)
None
None
NAD  A 901 (-3.6A)
 1.30A 4foxH-3docA:
undetectable		 4foxH-3docA:
22.10
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.
5ERS_A_ACTA803_0
(GEPHYRIN)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		3 / 3 THR A 155
ALA A 151
ASN A 156
 None
 0.61A 5ersA-3docA:
undetectable		 5ersA-3docA:
23.45
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 GLY A  14
ILE A  13
ASP A  50
HIS A  53
 None
NAD  A 901 (-3.4A)
None
None
 0.89A 6ag0A-3docA:
undetectable		 6ag0A-3docA:
13.54
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.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 GLY A  14
ILE A  13
ASP A  50
HIS A  53
 None
NAD  A 901 (-3.4A)
None
None
 0.88A 6ag0C-3docA:
undetectable		 6ag0C-3docA:
13.54
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.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		6 / 12 ILE A   7
GLY A  14
ILE A  67
VAL A  40
ASP A  36
ILE A  34
 None
None
None
None
NAD  A 901 (-3.6A)
None
 1.40A 6emuA-3docA:
3.3		 6emuA-3docA:
20.12
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		 3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE
(Brucella
abortus) 		5 / 11 ILE A 273
LEU A 274
PRO A 160
THR A 155
ASN A 156
 None
 1.48A 6hupA-3docA:
undetectable
6hupB-3docA:
undetectable		 6hupA-3docA:
12.24
6hupB-3docA:
13.86