SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2bjs'

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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		5 / 12 HIS A 214
VAL A 272
TYR A 189
SER A 281
LEU A 223
 FE  A1323 ( 3.3A)
None
ACV  A1324 (-4.7A)
ACV  A1324 (-2.7A)
ACV  A1324 (-4.5A)
 1.31A 1dmyB-2bjsA:
undetectable		 1dmyB-2bjsA:
21.47
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		6 / 12 HIS A 214
ASP A 216
LEU A 231
HIS A 270
SER A 281
PHE A 285
 FE  A1323 ( 3.3A)
FE  A1323 ( 2.5A)
None
FE  A1323 (-3.5A)
ACV  A1324 (-2.7A)
ACV  A1324 (-4.6A)
 0.69A 1uobA-2bjsA:
23.1		 1uobA-2bjsA:
23.94
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		6 / 11 HIS A 214
ASP A 216
THR A 221
HIS A 270
VAL A 272
ARG A 279
 FE  A1323 ( 3.3A)
FE  A1323 ( 2.5A)
None
FE  A1323 (-3.5A)
None
None
 0.66A 1uofA-2bjsA:
22.1		 1uofA-2bjsA:
23.94
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.
2ZM8_A_ACAA512_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		5 / 10 MET A 257
TYR A 160
SER A  36
GLY A 254
ILE A 220
 None
 1.47A 2zm8A-2bjsA:
0.0		 2zm8A-2bjsA:
23.08
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.
2ZMA_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		5 / 11 MET A 257
TYR A 160
SER A  36
GLY A 254
ILE A 220
 None
 1.43A 2zmaA-2bjsA:
0.0		 2zmaA-2bjsA:
22.44
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.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		5 / 12 MET A 257
TYR A 160
SER A  36
GLY A 254
ILE A 220
 None
 1.37A 3a65A-2bjsA:
undetectable		 3a65A-2bjsA:
22.44
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.
3EM0_A_CHDA153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 5 ILE A 220
THR A 261
PHE A 297
PHE A 170
 None
 1.26A 3em0A-2bjsA:
undetectable		 3em0A-2bjsA:
17.53
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 5 LEU A 157
ALA A 161
MET A 257
PHE A 170
 None
 1.22A 3uq6A-2bjsA:
undetectable		 3uq6A-2bjsA:
21.39
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 5 LEU A 157
GLY A 159
MET A 257
PHE A 170
 None
 1.33A 3uq6B-2bjsA:
undetectable		 3uq6B-2bjsA:
21.39
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.
3VAQ_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 4 LEU A 157
GLY A 159
MET A 257
PHE A 170
 None
 1.35A 3vaqB-2bjsA:
undetectable		 3vaqB-2bjsA:
21.39
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.
3VAS_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 5 LEU A 157
ALA A 161
MET A 257
PHE A 170
 None
 1.20A 3vasB-2bjsA:
undetectable		 3vasB-2bjsA:
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.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		5 / 12 GLY A 254
ILE A 220
PHE A  41
TYR A 160
LEU A 250
 None
 1.36A 4kotA-2bjsA:
undetectable		 4kotA-2bjsA:
19.81
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		5 / 12 GLY A 254
MET A 257
ILE A 220
PHE A  41
TYR A 160
 None
 1.38A 4kovA-2bjsA:
undetectable		 4kovA-2bjsA:
19.81
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.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 6 TYR A 146
VAL A 149
VAL A 222
LEU A 186
 None
 0.93A 4l1wB-2bjsA:
undetectable		 4l1wB-2bjsA:
21.88
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.
4M93_B_ACTB303_0
(S25-26 FAB (IGG1K)
HEAVY CHAIN
S25-26 FAB (IGG1K)
LIGHT CHAIN)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 5 GLY A  40
SER A  36
ALA A  35
PHE A  41
 None
 0.79A 4m93B-2bjsA:
undetectable
4m93C-2bjsA:
undetectable		 4m93B-2bjsA:
20.98
4m93C-2bjsA:
20.68
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.
4WQ4_A_ACTA403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		3 / 3 VAL A  14
LEU A  17
VAL A  28
 None
 0.52A 4wq4A-2bjsA:
1.0		 4wq4A-2bjsA:
21.75
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.
5TUD_D_ERMD1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 6 LEU A 231
VAL A 233
THR A 235
LEU A 250
 None
 0.83A 5tudD-2bjsA:
undetectable		 5tudD-2bjsA:
20.58
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.
5VKQ_A_PCFA1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 5 LEU A 157
LYS A 158
ALA A 161
LEU A 164
 None
 0.71A 5vkqA-2bjsA:
undetectable
5vkqD-2bjsA:
undetectable		 5vkqA-2bjsA:
10.80
5vkqD-2bjsA:
10.80
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.
5VKQ_B_PCFB1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 5 LEU A 157
LYS A 158
ALA A 161
LEU A 164
 None
 0.70A 5vkqA-2bjsA:
undetectable
5vkqB-2bjsA:
undetectable		 5vkqA-2bjsA:
10.80
5vkqB-2bjsA:
10.80
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.
5VKQ_C_PCFC1806_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 5 LEU A 157
LYS A 158
ALA A 161
LEU A 164
 None
 0.69A 5vkqB-2bjsA:
undetectable
5vkqC-2bjsA:
undetectable		 5vkqB-2bjsA:
10.80
5vkqC-2bjsA:
10.80
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.
5VKQ_D_PCFD1806_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2bjs ISOPENICILLIN N
SYNTHETASE
(Aspergillus
nidulans) 		4 / 5 LEU A 157
LYS A 158
ALA A 161
LEU A 164
 None
 0.70A 5vkqC-2bjsA:
undetectable
5vkqD-2bjsA:
undetectable		 5vkqC-2bjsA:
10.80
5vkqD-2bjsA:
10.80