SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2efj'

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.
1E7A_B_PFLB4002_1
(SERUM ALBUMIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 6 PHE A 225
LEU A 222
VAL A  34
VAL A 371
 None
 0.89A 1e7aB-2efjA:
1.8		 1e7aB-2efjA:
21.95
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.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		3 / 3 PHE A 140
LEU A 159
LEU A 223
 SAH  A 501 (-3.5A)
None
None
 0.66A 1mx1E-2efjA:
1.5		 1mx1E-2efjA:
21.13
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.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		3 / 3 PHE A 207
LEU A 223
LEU A 375
 None
 0.61A 1mx1E-2efjA:
1.5		 1mx1E-2efjA:
21.13
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.
1N2X_B_SAMB402_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 5 ASP A 317
VAL A 314
SER A 315
ASP A 297
 None
 1.42A 1n2xB-2efjA:
11.3		 1n2xB-2efjA:
21.11
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.
1V55_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 8 ILE A 373
LEU A 223
PHE A 225
THR A 201
 None
 0.87A 1v55N-2efjA:
undetectable
1v55W-2efjA:
undetectable		 1v55N-2efjA:
22.83
1v55W-2efjA:
9.21
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.
1WRL_D_TFPD207_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 8 LEU A  28
PHE A 140
LEU A   7
SER A  63
 SAH  A 501 ( 4.8A)
SAH  A 501 (-3.5A)
SAH  A 501 (-4.8A)
None
 0.81A 1wrlC-2efjA:
undetectable
1wrlD-2efjA:
undetectable		 1wrlC-2efjA:
13.28
1wrlD-2efjA:
13.28
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.
2XN5_A_FUNA1356_2
(THYROXINE-BINDING
GLOBULIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		3 / 3 LEU A 349
ARG A 352
ILE A 345
 None
 0.62A 2xn5B-2efjA:
undetectable		 2xn5B-2efjA:
7.18
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.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 8 GLN A  40
ARG A  44
ILE A  39
ASP A  79
 None
 0.98A 2xytE-2efjA:
undetectable		 2xytE-2efjA:
22.76
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 8 GLN A  40
ARG A  44
ILE A  39
ASP A  79
 None
 0.99A 2xytH-2efjA:
undetectable		 2xytH-2efjA:
22.76
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.
3AG2_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 7 ILE A 373
LEU A 223
PHE A 225
THR A 201
 None
 0.94A 3ag2N-2efjA:
1.8
3ag2W-2efjA:
undetectable		 3ag2N-2efjA:
22.83
3ag2W-2efjA:
9.21
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.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 7 ILE A 373
LEU A 223
PHE A 225
THR A 201
 None
 0.94A 3ag4N-2efjA:
undetectable
3ag4W-2efjA:
undetectable		 3ag4N-2efjA:
22.83
3ag4W-2efjA:
9.21
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.
3ASO_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 8 ILE A 373
LEU A 223
PHE A 225
THR A 201
 None
 0.90A 3asoN-2efjA:
undetectable
3asoW-2efjA:
undetectable		 3asoN-2efjA:
22.83
3asoW-2efjA:
9.21
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.
3P50_A_PFLA319_1
(GLR4197 PROTEIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 7 PRO A 265
ILE A 336
LEU A 337
ILE A 182
 None
 0.93A 3p50A-2efjA:
0.0		 3p50A-2efjA:
22.77
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.
3P50_B_PFLB319_1
(GLR4197 PROTEIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 7 PRO A 265
ILE A 336
LEU A 337
ILE A 182
 None
 0.94A 3p50B-2efjA:
0.0		 3p50B-2efjA:
22.77
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.
3P50_C_PFLC319_1
(GLR4197 PROTEIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 7 PRO A 265
ILE A 336
LEU A 337
ILE A 182
 None
 0.92A 3p50C-2efjA:
undetectable		 3p50C-2efjA:
22.77
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.
3P50_D_PFLD320_1
(GLR4197 PROTEIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 7 PRO A 265
ILE A 336
LEU A 337
ILE A 182
 None
 0.95A 3p50D-2efjA:
undetectable		 3p50D-2efjA:
22.77
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.
3P50_E_PFLE319_1
(GLR4197 PROTEIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 7 PRO A 265
ILE A 336
LEU A 337
ILE A 182
 None
 0.94A 3p50E-2efjA:
undetectable		 3p50E-2efjA:
22.77
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.
3VW1_D_CVID301_0
(PUTATIVE REGULATORY
PROTEIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 12 SER A 331
TYR A 333
ILE A 266
VAL A 360
ASP A 239
 None
 1.18A 3vw1D-2efjA:
undetectable		 3vw1D-2efjA:
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 10 ARG A 118
LEU A 113
LEU A 120
ASN A 119
ILE A 133
 None
 1.15A 3wdmB-2efjA:
2.9		 3wdmB-2efjA:
19.40
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.
4P65_A_IPHA101_0
(INSULIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 10 LEU A  47
CYH A  38
LEU A  42
ALA A  45
LEU A 287
 None
 1.07A 4p65A-2efjA:
undetectable
4p65B-2efjA:
undetectable
4p65F-2efjA:
undetectable
4p65H-2efjA:
undetectable		 4p65A-2efjA:
6.36
4p65B-2efjA:
6.16
4p65F-2efjA:
6.16
4p65H-2efjA:
6.16
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.
4P65_C_IPHC101_0
(INSULIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 11 LEU A  47
CYH A  38
LEU A  42
ALA A  45
LEU A 287
 None
 1.06A 4p65C-2efjA:
undetectable
4p65D-2efjA:
undetectable
4p65J-2efjA:
undetectable
4p65L-2efjA:
undetectable		 4p65C-2efjA:
6.36
4p65D-2efjA:
6.16
4p65J-2efjA:
6.16
4p65L-2efjA:
6.16
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.
4P65_I_IPHI101_0
(INSULIN)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 12 LEU A 287
LEU A  47
CYH A  38
LEU A  42
ALA A  45
 None
 1.02A 4p65B-2efjA:
undetectable
4p65D-2efjA:
undetectable
4p65I-2efjA:
undetectable
4p65J-2efjA:
undetectable		 4p65B-2efjA:
6.16
4p65D-2efjA:
6.16
4p65I-2efjA:
6.36
4p65J-2efjA:
6.16
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.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 12 ASP A  58
GLY A  60
THR A  70
ASP A 100
LEU A 101
 SAH  A 501 ( 4.7A)
SAH  A 501 (-3.8A)
None
SAH  A 501 (-3.0A)
SAH  A 501 ( 4.4A)
 0.99A 4pghB-2efjA:
13.7		 4pghB-2efjA:
21.90
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.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 12 ASP A  58
GLY A  60
THR A  70
ASP A 100
TRP A 161
 SAH  A 501 ( 4.7A)
SAH  A 501 (-3.8A)
None
SAH  A 501 (-3.0A)
37T  A 502 (-4.0A)
 1.23A 4pghB-2efjA:
13.7		 4pghB-2efjA:
21.90
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.
4WG0_J_CHDJ103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 11 LEU A 241
LEU A 349
GLU A 343
LEU A 337
TYR A 333
 None
 1.05A 4wg0J-2efjA:
undetectable
4wg0K-2efjA:
undetectable
4wg0L-2efjA:
undetectable		 4wg0J-2efjA:
3.12
4wg0K-2efjA:
3.12
4wg0L-2efjA:
3.12
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 12 ALA A 376
GLU A 285
LEU A 375
LEU A 287
LEU A  42
 None
 1.27A 4xi3D-2efjA:
undetectable		 4xi3D-2efjA:
21.63
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.
5B1A_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 6 ILE A 373
LEU A 223
PHE A 225
THR A 201
 None
 0.93A 5b1aN-2efjA:
undetectable
5b1aW-2efjA:
undetectable		 5b1aN-2efjA:
22.83
5b1aW-2efjA:
9.21
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		5 / 10 ALA A 357
VAL A 329
HIS A 324
VAL A 328
TYR A 368
 None
None
None
None
37T  A 502 (-3.1A)
 1.17A 5eb5B-2efjA:
undetectable		 5eb5B-2efjA:
22.68
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.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		4 / 7 ILE A  74
PHE A 292
PHE A 225
PHE A  27
 None
None
None
37T  A 502 (-4.6A)
 1.11A 5hieA-2efjA:
undetectable		 5hieA-2efjA:
21.52
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.
5ICX_F_SC2F1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		3 / 3 VAL A  71
GLN A  95
CYH A 131
 None
 0.60A 5icxC-2efjA:
undetectable
5icxF-2efjA:
undetectable		 5icxC-2efjA:
19.79
5icxF-2efjA:
3.18
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.
6EXI_A_ADNA503_1
(ADENOSYLHOMOCYSTEINA
SE)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		3 / 3 LEU A  43
GLN A  40
LYS A  92
 None
 0.92A 6exiB-2efjA:
undetectable		 6exiB-2efjA:
11.46
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.
6EXI_B_ADNB503_0
(ADENOSYLHOMOCYSTEINA
SE)		 2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE
(Coffea
canephora) 		3 / 3 LEU A  43
GLN A  40
LYS A  92
 None
 0.96A 6exiA-2efjA:
undetectable		 6exiA-2efjA:
11.46