SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4drt'

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.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 11 GLU A 355
GLN A 325
GLY A 284
GLY A 356
ASP A 285
 None
 0.98A 1mxgA-4drtA:
undetectable		 1mxgA-4drtA:
21.26
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.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 12 SER A 238
ILE A 237
GLY A 212
ASN A 200
ILE A 213
 None
 1.19A 1q8jB-4drtA:
undetectable		 1q8jB-4drtA:
21.99
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.
1R9O_A_FLPA501_1
(CYTOCHROME P450 2C9)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 12 ILE A 104
VAL A  98
ASP A 114
ALA A 116
THR A  51
 None
 1.03A 1r9oA-4drtA:
undetectable		 1r9oA-4drtA:
21.96
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.
2C12_C_SPMC1434_1
(NITROALKANE OXIDASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 12 LEU A 320
GLU A 279
ALA A 277
LEU A 315
VAL A 314
 None
 1.18A 2c12C-4drtA:
undetectable		 2c12C-4drtA:
24.89
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.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 12 ILE A 237
LEU A 257
GLY A 212
ASN A 200
ILE A 213
 None
 1.17A 2e7fA-4drtA:
undetectable		 2e7fA-4drtA:
22.29
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.
2E7F_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 12 ILE A 237
LEU A 257
GLY A 212
ASN A 200
ILE A 213
 None
 1.20A 2e7fB-4drtA:
undetectable		 2e7fB-4drtA:
22.29
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.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		3 / 3 ASN A  81
ASP A 111
GLN A 110
 None
 0.76A 3eeyC-4drtA:
undetectable		 3eeyC-4drtA:
22.01
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.
3EEY_D_SAMD300_1
(PUTATIVE RRNA
METHYLASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		3 / 3 ASN A  81
ASP A 111
GLN A 110
 None
 0.77A 3eeyD-4drtA:
undetectable		 3eeyD-4drtA:
22.01
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.
3EEY_E_SAME300_1
(PUTATIVE RRNA
METHYLASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		3 / 3 ASN A  81
ASP A 111
GLN A 110
 None
 0.77A 3eeyE-4drtA:
undetectable		 3eeyE-4drtA:
22.01
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.
3EKV_A_478A200_2
(PROTEASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 9 ALA A  76
GLY A 112
ILE A 107
VAL A  98
ILE A  72
 None
 1.06A 3ekvB-4drtA:
undetectable		 3ekvB-4drtA:
15.24
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.
3FC6_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 12 VAL A 117
ALA A 123
ALA A 124
LEU A 133
ALA A  58
 None
 0.98A 3fc6C-4drtA:
undetectable		 3fc6C-4drtA:
23.42
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.
3G59_A_ACTA306_0
(FMN
ADENYLYLTRANSFERASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		4 / 5 SER A  52
MET A 214
PHE A 184
ILE A 107
 None
 0.99A 3g59A-4drtA:
undetectable		 3g59A-4drtA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		3 / 3 PRO A 269
PHE A 276
ALA A 311
 None
 0.24A 3itaD-4drtA:
41.7		 3itaD-4drtA:
60.72
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.
3L35_H_DHIH3_0
(GP41 N-PEPTIDE
HIV ENTRY INHIBITOR
PIE12)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		3 / 3 LEU A 256
TRP A 259
GLY A  12
 None
 0.75A 3l35A-4drtA:
undetectable
3l35H-4drtA:
undetectable		 3l35A-4drtA:
7.76
3l35H-4drtA:
3.74
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.
3L35_K_DHIK3_0
(GP41 N-PEPTIDE
HIV ENTRY INHIBITOR
PIE12)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		3 / 3 LEU A 256
TRP A 259
GLY A  12
 None
 0.73A 3l35B-4drtA:
undetectable
3l35K-4drtA:
undetectable		 3l35B-4drtA:
7.76
3l35K-4drtA:
3.74
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.
3NU4_B_478B401_1
(PROTEASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 9 ALA A  76
GLY A 112
ILE A 107
VAL A  98
ILE A  72
 None
 1.06A 3nu4A-4drtA:
undetectable		 3nu4A-4drtA:
15.08
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.
3NUO_B_478B478_1
(PROTEASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 9 ALA A  76
GLY A 112
ILE A 107
VAL A  98
ILE A  72
 None
 1.10A 3nuoA-4drtA:
undetectable		 3nuoA-4drtA:
15.84
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.
3VW1_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		3 / 3 TYR A  26
MET A  50
LEU A 141
 None
 0.98A 3vw1D-4drtA:
undetectable		 3vw1D-4drtA:
20.45
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.
4OQR_A_2UOA502_1
(CYP105AS1)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 9 VAL A  13
VAL A 240
ALA A 239
VAL A  31
ALA A  33
 None
 1.09A 4oqrA-4drtA:
undetectable		 4oqrA-4drtA:
21.99
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.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 10 ALA A  76
GLY A 112
ILE A 107
VAL A  98
ILE A  72
 None
 1.06A 4q1wB-4drtA:
undetectable		 4q1wB-4drtA:
15.38
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.
4UDC_A_DEXA1778_2
(GLUCOCORTICOID
RECEPTOR)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		3 / 3 MET A 119
GLN A  57
TYR A  53
 None
CL  A 402 (-3.5A)
None
 0.97A 4udcA-4drtA:
undetectable		 4udcA-4drtA:
21.08
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.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 12 ILE A 353
LEU A 320
LEU A 291
VAL A 330
GLN A 328
 None
 1.25A 5im2A-4drtA:
undetectable		 5im2A-4drtA:
21.07
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.
5MSD_A_BEZA1202_0
(CARBOXYLIC ACID
REDUCTASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		4 / 5 HIS A  48
ILE A 107
SER A 152
ALA A 115
 None
 1.13A 5msdA-4drtA:
undetectable		 5msdA-4drtA:
16.09
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 12 GLY A 216
LEU A 257
GLY A 212
ASN A 200
ILE A 213
 None
 1.04A 5vopA-4drtA:
undetectable		 5vopA-4drtA:
23.54
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.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89
(synthetic
construct) 		5 / 12 GLY A 216
LEU A 257
GLY A 212
ASN A 200
ILE A 213
 None
 1.12A 5vopB-4drtA:
undetectable		 5vopB-4drtA:
23.54