SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3sim'

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.
1BDW_B_DVAB6_0
(GRAMICIDIN A)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		3 / 3 TRP A 102
ALA A  97
VAL A  99
 None
 0.96A 1bdwA-3simA:
undetectable
1bdwB-3simA:
undetectable		 1bdwA-3simA:
3.69
1bdwB-3simA:
3.69
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.
1FBY_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 12 ILE A 141
CYH A 140
ALA A 138
LEU A 172
ALA A 171
 None
 1.04A 1fbyA-3simA:
undetectable		 1fbyA-3simA:
20.92
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.
1FBY_B_9CRB1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 12 ILE A 141
CYH A 140
ALA A 138
LEU A 172
ALA A 171
 None
 1.04A 1fbyB-3simA:
undetectable		 1fbyB-3simA:
20.92
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 7 PHE A 235
PHE A 272
ALA A 237
PHE A 199
 None
 0.96A 1fxvA-3simA:
undetectable
1fxvB-3simA:
undetectable		 1fxvA-3simA:
22.22
1fxvB-3simA:
19.79
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.
1IWI_A_CAMA418_0
(CYTOCHROME P450-CAM)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 8 PHE A  94
LEU A 172
VAL A 103
VAL A  99
 None
 0.90A 1iwiA-3simA:
undetectable		 1iwiA-3simA:
20.68
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.
1Y7I_B_SALB503_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 10 ALA A 238
LEU A 247
PHE A 234
PHE A 219
LEU A 273
 None
 1.49A 1y7iB-3simA:
2.7		 1y7iB-3simA:
20.86
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.
2QEI_A_CXXA802_1
(TRANSPORTER)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 6 SER A 258
PHE A 219
ILE A 250
PHE A 235
 None
 1.25A 2qeiA-3simA:
undetectable		 2qeiA-3simA:
19.14
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.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		7 / 9 TYR A   6
PHE A  35
GLY A  84
ALA A  85
ASP A 125
GLU A 127
GLN A 186
 None
 0.60A 2uy4A-3simA:
21.1		 2uy4A-3simA:
25.48
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.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		6 / 11 PHE A  35
GLY A  84
ALA A  85
ASP A 125
GLU A 127
ALA A 189
 None
 1.30A 2xtkA-3simA:
22.0		 2xtkA-3simA:
24.77
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.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		6 / 11 PHE A  35
GLY A  84
ALA A  85
ASP A 125
GLU A 127
GLN A 186
 None
 0.59A 2xtkA-3simA:
22.0		 2xtkA-3simA:
24.77
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.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		6 / 11 TYR A   6
PHE A  35
GLY A  84
ALA A  85
GLU A 127
ALA A 189
 None
 1.45A 2xtkA-3simA:
22.0		 2xtkA-3simA:
24.77
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.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		6 / 11 TYR A   6
PHE A  35
GLY A  84
ALA A  85
GLU A 127
GLN A 186
 None
 0.81A 2xtkA-3simA:
22.0		 2xtkA-3simA:
24.77
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		6 / 10 PHE A  35
GLY A  84
ALA A  85
ASP A 125
GLU A 127
GLN A 186
 None
 0.51A 2xtkB-3simA:
21.9		 2xtkB-3simA:
24.77
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 10 TYR A   6
PHE A  35
ALA A  85
GLU A 127
GLN A 186
 None
 0.79A 2xtkB-3simA:
21.9		 2xtkB-3simA:
24.77
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.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 12 LEU A 144
TRP A 102
ASP A  38
PHE A  55
TYR A 126
 None
 1.34A 2y00A-3simA:
undetectable		 2y00A-3simA:
21.19
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.
2Y00_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 12 LEU A 144
TRP A 102
ASP A  38
PHE A  55
TYR A 126
 None
 1.30A 2y00B-3simA:
undetectable		 2y00B-3simA:
21.19
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.
2Y01_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 12 LEU A 144
TRP A 102
ASP A  38
PHE A  55
TYR A 126
 None
 1.30A 2y01B-3simA:
undetectable		 2y01B-3simA:
21.19
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.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 5 ILE A 180
PHE A 137
VAL A  87
PHE A 162
 None
 1.03A 2ygnA-3simA:
undetectable		 2ygnA-3simA:
16.73
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.
2ZUL_A_SAMA376_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		3 / 3 SER A  34
GLU A 266
ASP A 262
 None
 0.59A 2zulA-3simA:
undetectable		 2zulA-3simA:
21.56
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 7 VAL A   4
LEU A   2
TYR A   6
ASN A 184
 None
 0.87A 3avpA-3simA:
undetectable		 3avpA-3simA:
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.
3DMH_A_SAMA384_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		3 / 3 SER A  34
GLU A 266
ASP A 262
 None
 0.56A 3dmhA-3simA:
undetectable		 3dmhA-3simA:
21.56
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		3 / 3 PRO A 161
PHE A 187
ALA A 206
 None
 0.65A 3itaD-3simA:
undetectable		 3itaD-3simA:
22.75
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.
4CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 7 PHE A  94
LEU A 172
VAL A 103
VAL A  99
 None
 0.94A 4cp4A-3simA:
undetectable		 4cp4A-3simA:
20.91
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.
4E7G_A_ACTA514_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 4 ALA A 255
VAL A  15
ASP A 256
LEU A  61
 None
 1.17A 4e7gA-3simA:
0.7		 4e7gA-3simA:
20.94
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.
4OAE_A_CLMA207_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 12 PHE A 219
TYR A 190
ALA A 237
GLY A 201
LEU A 200
 None
 1.10A 4oaeA-3simA:
1.7		 4oaeA-3simA:
18.86
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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 9 SER A 158
GLY A 121
ALA A  36
VAL A  80
ILE A 114
 None
 1.49A 5i3cA-3simA:
undetectable		 5i3cA-3simA:
19.37
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.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 8 SER A  47
TYR A 126
SER A 101
ASN A  49
 None
 1.05A 5l1fA-3simA:
undetectable
5l1fB-3simA:
1.7		 5l1fA-3simA:
17.31
5l1fB-3simA:
17.31
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.
5M0O_C_EPAC502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 8 LEU A 247
ILE A 250
ALA A 269
PHE A 235
 None
 1.04A 5m0oC-3simA:
undetectable		 5m0oC-3simA:
20.77
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.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		4 / 7 PHE A 219
ILE A   7
SER A 261
THR A 221
 None
 1.03A 5vkqA-3simA:
undetectable
5vkqD-3simA:
undetectable		 5vkqA-3simA:
8.96
5vkqD-3simA:
8.96
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.
6HU9_N_PCFN606_0
(CYTOCHROME B)		 3sim PROTEIN, FAMILY 18
CHITINASE
(Crocus
vernus) 		5 / 12 PHE A  35
ALA A  36
THR A 108
VAL A  80
VAL A  32
 None
 1.35A 6hu9N-3simA:
undetectable		 6hu9N-3simA:
22.14