SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jnq'

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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		3 / 3 LEU A 192
SER A 198
ASN A 196
 None
 0.80A 1bx4A-4jnqA:
undetectable		 1bx4A-4jnqA:
22.80
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.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 9 LEU A 259
LEU A 267
PHE A 255
LEU A 109
ILE A 281
 None
 1.11A 2f78A-4jnqA:
undetectable		 2f78A-4jnqA:
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.
2F78_B_BEZB1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 9 LEU A 259
LEU A 267
PHE A 255
LEU A 109
ILE A 281
 None
 1.10A 2f78B-4jnqA:
undetectable		 2f78B-4jnqA:
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.
2F7A_B_BEZB1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 9 LEU A 259
LEU A 267
PHE A 255
LEU A 109
ILE A 281
 None
 1.12A 2f7aB-4jnqA:
undetectable		 2f7aB-4jnqA:
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.
2F8D_B_BEZB1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 10 LEU A 259
LEU A 267
PHE A 255
LEU A 109
ILE A 281
 None
 1.09A 2f8dB-4jnqA:
undetectable		 2f8dB-4jnqA:
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.
2NNH_B_9CRB501_1
(CYTOCHROME P450 2C8)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 9 GLY A 247
THR A 239
VAL A 152
ILE A 205
VAL A 224
 None
 1.36A 2nnhB-4jnqA:
undetectable		 2nnhB-4jnqA:
19.96
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.
2Y7W_A_SALA1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 9 THR A 157
GLY A 155
GLY A 247
ARG A 177
ILE A 246
 None
 1.41A 2y7wA-4jnqA:
undetectable		 2y7wA-4jnqA:
21.29
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.
2YVL_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 ILE A 111
ILE A 110
GLY A 285
ALA A 283
ALA A 295
 None
None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.4A)
 0.98A 2yvlA-4jnqA:
3.4		 2yvlA-4jnqA:
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 ILE A 111
ILE A 110
GLY A 285
ALA A 283
ALA A 295
 None
None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.4A)
 0.99A 2yvlB-4jnqA:
3.3		 2yvlB-4jnqA:
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.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 ILE A 111
ILE A 110
GLY A 285
ALA A 283
ALA A 295
 None
None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.4A)
 1.01A 2yvlC-4jnqA:
4.6		 2yvlC-4jnqA:
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.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		4 / 8 LEU A 163
SER A 166
HIS A 167
ARG A 194
 None
 1.04A 3kp6A-4jnqA:
undetectable		 3kp6A-4jnqA:
17.61
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.
3KU1_C_SAMC226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 GLY A 285
ASP A 289
ALA A 299
GLY A 300
ILE A 110
 FDA  A 401 (-3.4A)
None
None
None
None
 0.90A 3ku1C-4jnqA:
4.6		 3ku1C-4jnqA:
22.03
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.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 11 GLY A 285
GLY A 114
ILE A 111
ASP A 286
PRO A  15
 FDA  A 401 (-3.4A)
FDA  A 401 (-3.3A)
None
FDA  A 401 (-3.0A)
FDA  A 401 (-3.6A)
 1.13A 4dcmA-4jnqA:
2.6		 4dcmA-4jnqA:
21.38
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.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 9 ILE A 208
GLY A 223
ALA A 238
SER A 171
VAL A 150
 None
 1.06A 4r21B-4jnqA:
undetectable		 4r21B-4jnqA:
19.68
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		4 / 6 ASP A 289
ALA A 284
THR A 288
THR A 269
 None
None
None
NA  A 402 (-3.3A)
 1.37A 4w5qA-4jnqA:
undetectable		 4w5qA-4jnqA:
18.34
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)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		4 / 6 ASP A 289
ALA A 284
THR A 288
THR A 269
 None
None
None
NA  A 402 (-3.3A)
 1.34A 4w5tA-4jnqA:
undetectable		 4w5tA-4jnqA:
18.34
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)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		4 / 6 ASP A 289
ALA A 284
THR A 288
THR A 269
 None
None
None
NA  A 402 (-3.3A)
 1.36A 4z4fA-4jnqA:
undetectable		 4z4fA-4jnqA:
18.34
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)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		4 / 5 ASP A 289
ALA A 284
THR A 288
THR A 269
 None
None
None
NA  A 402 (-3.3A)
 1.37A 4z4gA-4jnqA:
undetectable		 4z4gA-4jnqA:
18.34
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.
4ZJZ_A_BEZA1001_0
(BENZOATE-COENZYME A
LIGASE)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		4 / 8 ALA A 284
GLY A 302
ALA A  20
GLY A  17
 None
 0.63A 4zjzA-4jnqA:
undetectable		 4zjzA-4jnqA:
21.82
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.
5C0O_F_SAMF301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 THR A 220
GLY A 241
GLY A 132
GLY A 131
LYS A 170
 None
 0.89A 5c0oF-4jnqA:
4.4		 5c0oF-4jnqA:
undetectable
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.
5ZW4_A_SAMA302_0
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 ILE A 110
GLY A 285
ALA A 112
ALA A 298
ALA A 295
 None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.6A)
FDA  A 401 (-3.4A)
 1.05A 5zw4A-4jnqA:
3.2		 5zw4A-4jnqA:
18.49
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.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 LEU A 226
ILE A 205
GLY A 153
ILE A 244
ALA A 135
 None
None
None
None
FDA  A 401 ( 4.6A)
 1.45A 6qyaB-4jnqA:
undetectable		 6qyaB-4jnqA:
18.82