SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4u1a'

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.
1A28_B_STRB2_1
(PROGESTERONE
RECEPTOR)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 12 LEU A 188
LEU A 189
ASN A 185
LEU A 336
GLN A 242
 CL  A 401 ( 4.9A)
CL  A 401 ( 4.4A)
CL  A 401 ( 4.2A)
None
None
 1.25A 1a28B-4u1aA:
undetectable		 1a28B-4u1aA:
19.72
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.
1A28_B_STRB2_1
(PROGESTERONE
RECEPTOR)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 12 LEU A 188
LEU A 189
ASN A 185
LEU A 336
THR A 131
 CL  A 401 ( 4.9A)
CL  A 401 ( 4.4A)
CL  A 401 ( 4.2A)
None
None
 1.37A 1a28B-4u1aA:
undetectable		 1a28B-4u1aA:
19.72
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.
1Q23_A_FUAA702_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 12 THR A 251
SER A 248
PHE A 237
PHE A 192
ALA A 205
 None
 1.28A 1q23A-4u1aA:
undetectable
1q23B-4u1aA:
undetectable		 1q23A-4u1aA:
22.07
1q23B-4u1aA:
22.07
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.
1SQN_A_NDRA1001_0
(PROGESTERONE
RECEPTOR)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 12 LEU A 188
LEU A 189
ASN A 185
LEU A 336
GLN A 242
 CL  A 401 ( 4.9A)
CL  A 401 ( 4.4A)
CL  A 401 ( 4.2A)
None
None
 1.29A 1sqnA-4u1aA:
undetectable		 1sqnA-4u1aA:
19.46
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.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 12 LEU A 188
LEU A 189
ASN A 185
LEU A 336
GLN A 242
 CL  A 401 ( 4.9A)
CL  A 401 ( 4.4A)
CL  A 401 ( 4.2A)
None
None
 1.29A 1zucB-4u1aA:
undetectable		 1zucB-4u1aA:
19.46
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 12 LEU A 281
ARG A 318
ASP A 223
PHE A 222
TYR A 161
 None
 1.29A 2no6A-4u1aA:
undetectable		 2no6A-4u1aA:
25.00
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.
2W8Y_B_NDRB1000_0
(PROGESTERONE
RECEPTOR)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 12 LEU A 188
LEU A 189
ASN A 185
LEU A 336
GLN A 242
 CL  A 401 ( 4.9A)
CL  A 401 ( 4.4A)
CL  A 401 ( 4.2A)
None
None
 1.34A 2w8yB-4u1aA:
undetectable		 2w8yB-4u1aA:
19.46
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.
3D90_A_NOGA1001_1
(PROGESTERONE
RECEPTOR)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 12 LEU A 188
LEU A 189
ASN A 185
LEU A 336
GLN A 242
 CL  A 401 ( 4.9A)
CL  A 401 ( 4.4A)
CL  A 401 ( 4.2A)
None
None
 1.26A 3d90A-4u1aA:
undetectable		 3d90A-4u1aA:
19.93
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.
4DT8_A_ADNA401_1
(APH(2'')-ID)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 11 SER A 162
GLY A 164
ILE A 118
LEU A 107
ILE A 137
 None
 1.09A 4dt8A-4u1aA:
undetectable		 4dt8A-4u1aA:
19.43
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.
4QVY_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 10 ALA A 273
THR A 272
ALA A 276
VAL A 285
GLY A 209
 None
 0.99A 4qvyK-4u1aA:
undetectable
4qvyL-4u1aA:
undetectable		 4qvyK-4u1aA:
20.38
4qvyL-4u1aA:
22.78
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.
4QVY_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 10 ALA A 273
THR A 272
ALA A 276
VAL A 285
GLY A 209
 None
 0.99A 4qvyY-4u1aA:
undetectable
4qvyZ-4u1aA:
undetectable		 4qvyY-4u1aA:
20.38
4qvyZ-4u1aA:
22.78
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		4 / 6 ASP A 147
ALA A 140
THR A 116
THR A 152
 None
 1.25A 4w5qA-4u1aA:
undetectable		 4w5qA-4u1aA:
15.41
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.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		4 / 6 ASP A 147
ALA A 140
THR A 116
THR A 152
 None
 1.29A 4w5rA-4u1aA:
2.7		 4w5rA-4u1aA:
15.41
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		4 / 6 ASP A 147
ALA A 140
THR A 116
THR A 152
 None
 1.23A 4w5tA-4u1aA:
2.7		 4w5tA-4u1aA:
15.41
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		4 / 6 ASP A 147
ALA A 140
THR A 116
THR A 152
 None
 1.25A 4z4cA-4u1aA:
undetectable		 4z4cA-4u1aA:
15.41
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		4 / 6 ASP A 147
ALA A 140
THR A 116
THR A 152
 None
 1.26A 4z4fA-4u1aA:
undetectable		 4z4fA-4u1aA:
15.41
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.
4Z4G_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		4 / 5 ASP A 147
ALA A 140
THR A 116
THR A 152
 None
 1.27A 4z4gA-4u1aA:
2.7		 4z4gA-4u1aA:
15.41
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.
4Z4I_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		4 / 6 ASP A 147
ALA A 140
THR A 116
THR A 152
 None
 1.27A 4z4iA-4u1aA:
2.7		 4z4iA-4u1aA:
14.71
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.
5CVT_B_ACTB200_0
(N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		3 / 3 ASN A 334
ALA A 330
ARG A 190
 None
 0.70A 5cvtB-4u1aA:
3.3		 5cvtB-4u1aA:
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.
5HW4_B_SAMB801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		 4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens) 		5 / 11 ILE A 115
GLY A 114
ASP A 147
PHE A 199
LEU A 299
 None
 1.34A 5hw4B-4u1aA:
undetectable		 5hw4B-4u1aA:
23.28