SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4aq4'

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.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		4 / 8 LEU A 175
SER A 383
GLN A 393
ASP A 396
 None
 1.07A 1ig3A-4aq4A:
undetectable
1ig3B-4aq4A:
undetectable		 1ig3A-4aq4A:
21.33
1ig3B-4aq4A:
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.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		5 / 11 SER A 247
GLY A 249
LEU A  14
GLY A 284
HIS A   8
 G3P  A1415 (-2.5A)
None
GOL  A1416 (-4.6A)
G3P  A1415 (-3.4A)
None
 1.37A 1iolA-4aq4A:
undetectable		 1iolA-4aq4A:
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.
1N4F_A_ASRA141_0
(LYSOZYME C)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		4 / 6 GLY A 283
THR A 122
PRO A 123
SER A 248
 G3P  A1415 (-3.0A)
None
None
None
 0.72A 1n4fA-4aq4A:
undetectable		 1n4fA-4aq4A:
16.67
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.
1PJ7_A_FFOA2887_0
(N,N-DIMETHYLGLYCINE
OXIDASE)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		5 / 12 LEU A 175
TYR A 225
GLY A 171
PHE A 223
LEU A 214
 None
 1.35A 1pj7A-4aq4A:
undetectable		 1pj7A-4aq4A:
19.49
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.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		4 / 5 PRO A 143
LEU A 137
GLY A 136
LYS A 155
 None
 1.36A 1ya4C-4aq4A:
undetectable		 1ya4C-4aq4A:
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.
3AOD_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		5 / 12 GLN A 352
ALA A 246
THR A 122
GLY A 265
LEU A 149
 None
 1.36A 3aodC-4aq4A:
undetectable		 3aodC-4aq4A:
16.60
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.
3LOQ_A_ACTA277_0
(UNIVERSAL STRESS
PROTEIN)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		3 / 3 ASP A 107
SER A 108
ARG A 366
 None
 1.00A 3loqA-4aq4A:
undetectable		 3loqA-4aq4A:
23.29
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.
3LP9_D_SPMD230_1
(LS-24)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		3 / 3 GLU A  28
GLU A 316
ASN A 313
 None
 0.86A 3lp9B-4aq4A:
undetectable
3lp9D-4aq4A:
undetectable		 3lp9B-4aq4A:
20.30
3lp9D-4aq4A:
20.30
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.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		3 / 3 LYS A 293
THR A 297
ILE A  34
 None
 0.91A 4e0fB-4aq4A:
undetectable		 4e0fB-4aq4A:
19.08
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.
4J5J_B_478B401_2
(PROTEASE)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		5 / 10 ASN A 253
ILE A 254
GLY A 168
ILE A 173
VAL A 264
 None
 1.06A 4j5jB-4aq4A:
undetectable		 4j5jB-4aq4A:
13.08
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.
4LB0_A_ACTA401_0
(UNCHARACTERIZED
PROTEIN)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		5 / 9 SER A 247
GLY A 249
SER A 250
TYR A  42
ASP A 230
 G3P  A1415 (-2.5A)
None
None
GOL  A1416 ( 3.7A)
GOL  A1416 (-2.6A)
 1.47A 4lb0A-4aq4A:
undetectable		 4lb0A-4aq4A:
19.58
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.
4ZZ8_A_GCSA208_1
(GLUCANASE/CHITOSANAS
E)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		4 / 7 GLU A 234
TYR A 237
GLU A  11
TYR A 257
 None
 1.18A 4zz8A-4aq4A:
undetectable		 4zz8A-4aq4A:
15.11
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		5 / 12 GLU A 176
ASN A 191
VAL A 101
TYR A 105
ASN A 279
 None
 1.12A 5kbwB-4aq4A:
undetectable		 5kbwB-4aq4A:
18.47
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.
6J20_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB
(Escherichia
coli) 		5 / 12 ASN A  45
PRO A  59
ILE A  78
TYR A 298
ILE A   4
 None
 1.24A 6j20A-4aq4A:
undetectable		 6j20A-4aq4A:
22.68