SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4pqk'

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.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		3 / 3 TRP A 159
VAL A 260
TRP A 341
 None
None
MLR  A 700 (-4.0A)
 1.25A 1c4dA-4pqkA:
undetectable
1c4dB-4pqkA:
undetectable		 1c4dA-4pqkA:
5.21
1c4dB-4pqkA:
5.21
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.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		4 / 8 SER A 256
THR A 226
ASN A 151
LEU A 248
 None
 1.05A 1lhvA-4pqkA:
undetectable		 1lhvA-4pqkA:
16.81
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.
2DCF_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 ALA A 232
ASP A 297
TYR A 211
ASN A 235
GLY A 229
 None
 1.32A 2dcfA-4pqkA:
undetectable		 2dcfA-4pqkA:
20.00
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 TYR A 387
THR A 461
LEU A 429
ALA A 438
TYR A 391
 None
 1.12A 2g72A-4pqkA:
undetectable		 2g72A-4pqkA:
19.84
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 TYR A 387
THR A 461
LEU A 429
ALA A 438
TYR A 391
 None
 1.11A 2g72B-4pqkA:
undetectable		 2g72B-4pqkA:
19.84
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.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 LEU A 263
ILE A 109
VAL A  98
LEU A  77
ILE A  80
 None
 1.01A 2h42C-4pqkA:
undetectable		 2h42C-4pqkA:
21.54
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.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		3 / 3 HIS A 470
MET A 474
MET A 417
 None
 1.32A 2vj1A-4pqkA:
undetectable		 2vj1A-4pqkA:
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.
2ZMA_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 11 ALA A 232
ASP A 297
TYR A 211
ASN A 235
GLY A 229
 None
 1.30A 2zmaA-4pqkA:
undetectable		 2zmaA-4pqkA:
20.00
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.
3A35_A_RBFA191_1
(LUMAZINE PROTEIN)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 LEU A 193
THR A 194
ALA A 347
THR A 346
ILE A 349
 None
 1.18A 3a35A-4pqkA:
undetectable		 3a35A-4pqkA:
17.14
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.
3A35_B_RBFB191_1
(LUMAZINE PROTEIN)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 LEU A 193
THR A 194
ALA A 347
THR A 346
ILE A 349
 None
 1.19A 3a35B-4pqkA:
undetectable		 3a35B-4pqkA:
17.14
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.
3A3B_A_RBFA191_1
(LUMAZINE PROTEIN)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 LEU A 193
THR A 194
ALA A 347
THR A 346
ILE A 349
 None
 1.20A 3a3bA-4pqkA:
undetectable		 3a3bA-4pqkA:
17.14
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.
3BGD_A_PM6A301_1
(THIOPURINE
S-METHYLTRANSFERASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		4 / 6 PHE A 259
ALA A 163
LEU A 248
PRO A 160
 None
 0.94A 3bgdA-4pqkA:
undetectable		 3bgdA-4pqkA:
19.03
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.
3BGD_B_PM6B301_1
(THIOPURINE
S-METHYLTRANSFERASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		4 / 8 PHE A 259
GLY A 328
LEU A 248
PRO A 160
 None
 1.05A 3bgdB-4pqkA:
undetectable		 3bgdB-4pqkA:
19.03
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.
3HS6_A_EPAA1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 VAL A 344
GLY A 188
ALA A 189
LEU A 193
LEU A 161
 None
 1.04A 3hs6A-4pqkA:
0.8		 3hs6A-4pqkA:
21.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		12 / 12 ASP A  15
LYS A  16
LYS A  43
GLU A  45
GLU A  46
ALA A  64
ASP A  66
ARG A  67
GLU A 112
PRO A 155
TRP A 231
TYR A 342
 MLR  A 700 (-3.0A)
MLR  A 700 (-2.5A)
None
MLR  A 700 (-3.2A)
MLR  A 700 (-4.1A)
MLR  A 700 (-3.2A)
MLR  A 700 (-2.7A)
MLR  A 700 (-2.9A)
MLR  A 700 (-3.0A)
MLR  A 700 (-3.6A)
MLR  A 700 (-4.4A)
MLR  A 700 (-3.9A)
 0.45A 3jyrA-4pqkA:
54.4		 3jyrA-4pqkA:
76.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		6 / 7 ASN A  13
TRP A  63
GLU A 154
TYR A 156
MET A 331
TRP A 341
 MLR  A 700 (-4.7A)
MLR  A 700 (-4.6A)
MLR  A 700 (-4.0A)
MLR  A 700 (-3.8A)
MLR  A 700 (-4.1A)
MLR  A 700 (-4.0A)
 0.42A 3jyrA-4pqkA:
54.4		 3jyrA-4pqkA:
76.64
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.
3VWP_A_ACAA503_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 10 ALA A 232
ASP A 297
TYR A 211
ASN A 235
GLY A 229
 None
 1.31A 3vwpA-4pqkA:
undetectable		 3vwpA-4pqkA:
18.60
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.
3VWQ_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 ALA A 232
TYR A  18
TYR A 211
ASN A 235
GLY A 229
 None
 1.30A 3vwqA-4pqkA:
undetectable		 3vwqA-4pqkA:
20.20
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.
3VWR_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 11 ALA A 232
ASP A 297
TYR A 211
ASN A 235
GLY A 229
 None
 1.32A 3vwrA-4pqkA:
undetectable		 3vwrA-4pqkA:
20.00
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.
3VYW_A_SAMA501_1
(MNMC2)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		4 / 6 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
 1.26A 3vywA-4pqkA:
undetectable		 3vywA-4pqkA:
25.12
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.
3VYW_D_SAMD401_1
(MNMC2)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		4 / 5 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
 1.24A 3vywD-4pqkA:
undetectable		 3vywD-4pqkA:
25.12
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.
3WIP_G_ACTG305_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		3 / 3 ASP A 441
ARG A 434
LYS A 437
 None
 1.02A 3wipG-4pqkA:
undetectable		 3wipG-4pqkA:
19.19
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.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 9 ALA A 265
ALA A 106
LEU A 104
LEU A 263
VAL A 262
 None
 1.10A 4or0B-4pqkA:
undetectable		 4or0B-4pqkA:
22.31
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.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		4 / 7 LEU A  77
GLY A 266
ALA A 265
SER A 264
 None
 0.89A 5f1aB-4pqkA:
undetectable		 5f1aB-4pqkA:
20.24
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.
5KR2_A_ROCA101_2
(PROTEASE PR5-SQV)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 11 ARG A  99
ALA A  78
ILE A  60
PRO A 108
ILE A  80
 None
 1.24A 5kr2B-4pqkA:
undetectable		 5kr2B-4pqkA:
15.05