SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4g0b'

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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		5 / 9 ALA A 283
ILE A 417
ILE A 369
TYR A 255
THR A 305
 None
 1.43A 1j3jB-4g0bA:
undetectable		 1j3jB-4g0bA:
16.86
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.
1RG1_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		3 / 3 TRP A 321
VAL A 320
PRO A 319
 None
 0.88A 1rg1A-4g0bA:
undetectable		 1rg1A-4g0bA:
21.51
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.
1RH0_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		3 / 3 TRP A 321
VAL A 320
PRO A 319
 None
 0.88A 1rh0A-4g0bA:
undetectable		 1rh0A-4g0bA:
21.51
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.
1SBR_A_VIBA501_1
(YKOF)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		4 / 8 PHE A 402
SER A 401
LEU A 400
THR A 370
 None
 0.89A 1sbrA-4g0bA:
undetectable		 1sbrA-4g0bA:
19.95
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.
2A8T_B_ADNB252_1
(U8 SNORNA-BINDING
PROTEIN X29)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		4 / 8 GLY A 150
PHE A  41
THR A 138
ILE A 118
 None
 0.98A 2a8tB-4g0bA:
undetectable		 2a8tB-4g0bA:
18.22
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.
2DU8_A_BEZA352_0
(D-AMINO-ACID OXIDASE)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		5 / 6 LEU A 147
TYR A  42
TYR A  40
ILE A 165
GLY A 385
 None
 1.47A 2du8A-4g0bA:
undetectable		 2du8A-4g0bA:
21.66
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.
2DU8_B_BEZB1352_0
(D-AMINO-ACID OXIDASE)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		5 / 6 LEU A 147
TYR A  42
TYR A  40
ILE A 165
GLY A 385
 None
 1.43A 2du8B-4g0bA:
undetectable		 2du8B-4g0bA:
21.66
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		4 / 6 ALA A 190
ASP A 344
GLU A 347
ARG A  81
 None
 1.33A 2ouzA-4g0bA:
undetectable		 2ouzA-4g0bA:
20.33
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.
2Q83_B_ADNB2_1
(YTAA PROTEIN)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		4 / 6 ILE A 403
PRO A 308
LEU A 331
ILE A 282
 None
 0.97A 2q83B-4g0bA:
undetectable		 2q83B-4g0bA:
21.66
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.
3ADX_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		5 / 12 LEU A 135
GLY A 144
ALA A  96
ILE A   3
VAL A  39
 None
 0.95A 3adxB-4g0bA:
undetectable		 3adxB-4g0bA:
21.84
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		4 / 6 TYR A 130
ALA A 131
ALA A 155
ASN A  24
 None
 0.92A 3b6hB-4g0bA:
undetectable		 3b6hB-4g0bA:
24.23
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.
3HEG_A_BAXA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		4 / 6 VAL A 373
ILE A 236
ILE A 403
LEU A 404
 None
 0.82A 3hegA-4g0bA:
undetectable		 3hegA-4g0bA:
23.73
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.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		5 / 12 TYR A 432
CYH A 265
LEU A 367
ILE A 403
ILE A 236
 None
 1.10A 3ijdB-4g0bA:
undetectable		 3ijdB-4g0bA:
21.04
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		5 / 11 PHE A 389
VAL A  39
PHE A  41
GLY A 394
LEU A 117
 None
 1.11A 3t3rA-4g0bA:
undetectable		 3t3rA-4g0bA:
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		5 / 12 PHE A  93
ALA A  59
LEU A  60
VAL A 137
LEU A 135
 None
 0.70A 4g1bA-4g0bA:
undetectable		 4g1bA-4g0bA:
22.51
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.
4HTF_A_ACTA303_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		3 / 3 TYR A 130
HIS A 154
ARG A 152
 None
 1.01A 4htfA-4g0bA:
undetectable		 4htfA-4g0bA:
20.78
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		3 / 3 LEU A 162
TYR A  40
SER A  38
 None
 0.69A 5iktA-4g0bA:
undetectable		 5iktA-4g0bA:
21.12
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.
5NVP_A_ACAA18_2
(ENVELOPE
GLYCOPROTEIN,GP41)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		4 / 4 LEU A 426
LYS A 268
LEU A 315
TRP A 263
 None
 1.42A 5nvpA-4g0bA:
0.0		 5nvpA-4g0bA:
5.73
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.
5VCY_A_DB8A401_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		4 / 4 VAL A  31
LEU A 355
ASN A  24
ASP A  28
 None
 1.29A 5vcyA-4g0bA:
undetectable		 5vcyA-4g0bA:
21.72
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		3 / 3 LEU A  92
VAL A 121
ASP A 122
 None
 0.65A 5x23A-4g0bA:
undetectable		 5x23A-4g0bA:
20.79
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.
5YJS_A_SALA603_0
(VICILIN-LIKE
ANTIMICROBIAL
PEPTIDES 2-2)		 4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE
(Coffea
canephora) 		5 / 11 GLY A  88
VAL A  91
PHE A 164
MET A  70
GLY A  90
 None
 1.15A 5yjsA-4g0bA:
undetectable		 5yjsA-4g0bA:
11.47