SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ed9'

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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 11 VAL A  96
LEU A  27
ILE A 200
ALA A 187
LEU A 188
 None
 1.13A 1eqgB-4ed9A:
undetectable		 1eqgB-4ed9A:
19.83
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 12 THR A 291
LEU A 266
ALA A 237
CYH A 253
VAL A 315
 None
 1.28A 2g72A-4ed9A:
undetectable		 2g72A-4ed9A:
22.25
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 11 ILE A 268
ALA A 272
LEU A 290
ILE A 251
LEU A 242
 None
 1.33A 2zzaB-4ed9A:
undetectable		 2zzaB-4ed9A:
19.67
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.
3BC9_A_ACRA901_1
(ALPHA AMYLASE,
CATALYTIC REGION)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		4 / 7 ASP A  33
SER A  73
GLU A  38
ASP A  43
 NHE  A 403 (-3.7A)
None
None
None
 1.21A 3bc9A-4ed9A:
undetectable		 3bc9A-4ed9A:
22.35
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		3 / 3 MET A 202
VAL A  23
GLU A  99
 None
None
EDO  A 404 (-4.1A)
 0.81A 3c6gA-4ed9A:
undetectable		 3c6gA-4ed9A:
22.12
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 12 ILE A 268
LEU A 290
ALA A 289
ILE A 251
LEU A 242
 None
 1.03A 3dauA-4ed9A:
undetectable		 3dauA-4ed9A:
16.58
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.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 12 ASN A  68
GLU A  13
GLU A  38
ILE A 374
GLU A 377
 None
None
None
None
NHE  A 403 (-3.6A)
 1.29A 3jayA-4ed9A:
undetectable		 3jayA-4ed9A:
17.88
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.
3ROD_C_NCAC302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 10 LEU A  18
ASP A 144
ASP A 173
ALA A 170
TYR A  63
 None
 1.50A 3rodC-4ed9A:
2.2		 3rodC-4ed9A:
20.15
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.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		4 / 5 VAL A  97
GLU A  13
VAL A  34
LYS A  71
 None
 1.43A 4p6vB-4ed9A:
1.5
4p6vE-4ed9A:
undetectable		 4p6vB-4ed9A:
23.85
4p6vE-4ed9A:
20.37
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.
4ZO1_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 12 ALA A 282
ALA A 237
ARG A 287
LEU A 290
ASN A 286
 None
 1.21A 4zo1X-4ed9A:
undetectable		 4zo1X-4ed9A:
19.85
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.
5NY7_A_NCAA303_0
(AMIDASE)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		4 / 6 ARG A  46
THR A  75
GLU A  38
SER A  73
 None
 1.04A 5ny7A-4ed9A:
undetectable		 5ny7A-4ed9A:
21.87
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.
5YJS_A_SALA603_0
(VICILIN-LIKE
ANTIMICROBIAL
PEPTIDES 2-2)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 11 PHE A 205
GLY A 151
TYR A 137
MET A 146
GLY A 149
 None
None
PEG  A 401 ( 4.5A)
PEG  A 401 (-4.5A)
None
 1.32A 5yjsA-4ed9A:
undetectable		 5yjsA-4ed9A:
11.37
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.
6B52_A_OAQA302_0
(SULFOTRANSFERASE)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 12 PRO A  21
ILE A 184
VAL A  34
LEU A 188
LEU A   6
 None
 1.15A 6b52A-4ed9A:
undetectable		 6b52A-4ed9A:
20.16