SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4aal'

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.
1HWI_C_115C4_2
(HMG-COA REDUCTASE)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		4 / 8 GLU A  23
LEU A 215
ALA A 212
LEU A 211
 None
 0.79A 1hwiD-4aalA:
undetectable		 1hwiD-4aalA:
21.49
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.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		4 / 7 VAL A 294
PHE A 214
LEU A 215
ALA A  29
 HEC  A 424 ( 4.1A)
HEC  A 424 ( 4.9A)
None
None
 0.78A 1j8uA-4aalA:
undetectable		 1j8uA-4aalA:
20.38
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.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		4 / 8 SER A 271
LEU A 196
LEU A 211
LEU A 215
 None
 0.99A 2bfpA-4aalA:
undetectable		 2bfpA-4aalA:
21.98
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.
2KAW_A_SUZA91_1
(SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-1)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		5 / 11 LEU A 302
GLY A 303
ILE A 304
SER A 305
VAL A 257
 HEC  A 424 ( 4.3A)
None
HEC  A 424 ( 4.2A)
None
None
 0.76A 2kawA-4aalA:
undetectable		 2kawA-4aalA:
15.22
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		4 / 8 THR A 147
PRO A 341
GLU A 136
ALA A  67
 None
 1.14A 2v41G-4aalA:
undetectable
2v41H-4aalA:
undetectable		 2v41G-4aalA:
20.74
2v41H-4aalA:
20.74
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.
2ZBZ_A_VDXA501_1
(CYTOCHROME P450-SU1)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		5 / 11 THR A  89
SER A 269
VAL A 287
MET A 297
ILE A 296
 None
HEC  A 424 (-3.4A)
None
HEC  A 424 (-2.3A)
None
 1.22A 2zbzA-4aalA:
undetectable		 2zbzA-4aalA:
22.99
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.
3ELZ_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		3 / 3 ASN A 101
HIS A 283
VAL A 238
 CA  A 425 (-2.9A)
HEC  A 424 (-3.5A)
HEC  A 424 (-4.0A)
 0.88A 3elzB-4aalA:
undetectable		 3elzB-4aalA:
17.40
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.
3KM6_A_EAAA222_1
(GLUTATHIONE
S-TRANSFERASE P)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		5 / 10 GLY A  82
TRP A 116
GLN A  96
ILE A  86
ASN A  78
 None
None
HEC  A 423 (-3.6A)
None
None
 1.24A 3km6A-4aalA:
undetectable		 3km6A-4aalA:
22.71
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.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		3 / 3 ASP A 117
GLY A  98
TYR A 265
 None
PO4  A1356 (-3.5A)
PO4  A1354 (-4.8A)
 0.70A 3w9tC-4aalA:
undetectable		 3w9tC-4aalA:
20.63
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.
3W9T_G_W9TG503_1
(HEMOLYTIC LECTIN
CEL-III)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		3 / 3 ASP A 117
GLY A  98
TYR A 265
 None
PO4  A1356 (-3.5A)
PO4  A1354 (-4.8A)
 0.70A 3w9tG-4aalA:
undetectable		 3w9tG-4aalA:
20.63
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.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		5 / 12 LEU A  65
GLY A 153
SER A 150
VAL A 174
PHE A 158
 None
 1.05A 4wnwB-4aalA:
undetectable		 4wnwB-4aalA:
23.93
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.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		4 / 5 VAL A 135
ILE A  36
PRO A 103
THR A 231
 None
None
HEC  A 423 (-4.2A)
None
 1.33A 4ze1A-4aalA:
undetectable		 4ze1A-4aalA:
22.08
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.
5TRQ_B_ACTB306_0
(WELO5)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		3 / 3 GLU A 240
ARG A 254
TYR A 255
 None
 0.60A 5trqB-4aalA:
undetectable		 5trqB-4aalA:
22.19
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		3 / 3 GLY A 230
THR A  89
PRO A 103
 None
None
HEC  A 423 (-4.2A)
 0.57A 5v5zA-4aalA:
undetectable		 5v5zA-4aalA:
20.04
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.
5X1B_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 4aal CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		3 / 3 ARG A  64
PHE A  60
LEU A 333
 None
 0.85A 5x1bC-4aalA:
undetectable		 5x1bC-4aalA:
21.61