SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qnq'

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.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 11 LEU A 419
LEU A 416
MET A 340
ILE A 342
LEU A 347
 None
 1.22A 1g50A-3qnqA:
undetectable		 1g50A-3qnqA:
18.96
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.
1SQN_B_NDRB2001_0
(PROGESTERONE
RECEPTOR)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 12 ASN A 345
LEU A 304
MET A 308
LEU A 419
TYR A 415
 None
 1.11A 1sqnB-3qnqA:
undetectable		 1sqnB-3qnqA:
20.74
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.
1TKQ_B_DVAB8_0
(GRAMICIDIN A)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		4 / 5 VAL A 258
GLY A 257
VAL A 255
TRP A 382
 None
None
None
CBS  A 500 (-3.3A)
 1.37A 1tkqB-3qnqA:
undetectable		 1tkqB-3qnqA:
5.28
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.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		4 / 5 VAL A 109
THR A 110
VAL A 193
GLY A 190
 None
 1.09A 2p2fA-3qnqA:
undetectable		 2p2fA-3qnqA:
22.47
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.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		4 / 4 VAL A 109
THR A 110
VAL A 193
GLY A 190
 None
 1.09A 2p2fB-3qnqA:
undetectable		 2p2fB-3qnqA:
22.47
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.
2PNJ_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 12 PHE A  77
LEU A 264
MET A 267
ILE A  38
SER A 260
 None
 1.37A 2pnjB-3qnqA:
undetectable		 2pnjB-3qnqA:
20.66
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.
2QBN_A_CAMA442_0
(CYTOCHROME P450-CAM)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		4 / 7 PHE A 288
VAL A 358
VAL A 238
VAL A 235
 None
 0.91A 2qbnA-3qnqA:
undetectable		 2qbnA-3qnqA:
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.
3AOB_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 12 PHE A 365
ALA A 366
THR A 283
ASN A 407
LEU A 410
 None
 1.44A 3aobC-3qnqA:
undetectable		 3aobC-3qnqA:
18.75
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.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 12 SER A 107
GLY A  28
ARG A  91
ARG A  26
ILE A  25
 None
None
ZDM  A 600 (-4.0A)
None
None
 1.36A 3jb2A-3qnqA:
undetectable		 3jb2A-3qnqA:
18.39
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.
3SUD_A_SUEA1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		4 / 4 PHE A 274
TYR A 391
ILE A  38
LEU A  36
 None
 1.46A 3sudA-3qnqA:
undetectable		 3sudA-3qnqA:
19.40
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.
3WQW_A_GCSA502_1
(CHITINASE)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		4 / 5 GLY A 233
TRP A 263
ALA A 229
PHE A 147
 None
 1.07A 3wqwA-3qnqA:
undetectable		 3wqwA-3qnqA:
22.25
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.
4IAQ_A_2GMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 12 ALA A 237
PHE A 288
PHE A 289
LEU A 371
THR A 283
 None
 1.00A 4iaqA-3qnqA:
2.3		 4iaqA-3qnqA:
21.14
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.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 12 LEU A  31
VAL A  85
GLY A  87
ALA A  89
LEU A  92
 ZDM  A 600 (-4.5A)
None
None
None
None
 1.05A 4rrwD-3qnqA:
1.7		 4rrwD-3qnqA:
21.53
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.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 12 LEU A  31
VAL A  85
GLY A  87
ALA A  89
LEU A  92
 ZDM  A 600 (-4.5A)
None
None
None
None
 1.05A 4rrzD-3qnqA:
1.7		 4rrzD-3qnqA:
21.53
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.
4RTB_A_SAMA501_1
(HYDG PROTEIN)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		3 / 3 GLU A 158
ARG A 161
GLN A  19
 None
 0.94A 4rtbA-3qnqA:
undetectable		 4rtbA-3qnqA:
22.18
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.
4X3M_A_ADNA301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 9 LEU A 106
GLY A 190
ILE A 152
VAL A 194
THR A 110
 None
 1.27A 4x3mA-3qnqA:
undetectable		 4x3mA-3qnqA:
21.80
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.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 9 LEU A 106
GLY A 190
ILE A 152
VAL A 194
THR A 110
 None
 1.22A 4x3mB-3qnqA:
undetectable		 4x3mB-3qnqA:
21.80
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.
4XT8_A_TMQA302_1
(RV2671)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 12 ASN A 270
ILE A 284
GLY A 228
ALA A 229
THR A 283
 None
 1.30A 4xt8A-3qnqA:
undetectable		 4xt8A-3qnqA:
20.62
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		4 / 8 ALA A 373
VAL A 372
SER A 363
GLY A 400
 None
 0.90A 5v0vA-3qnqA:
2.6		 5v0vA-3qnqA:
21.56
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.
5V3C_A_AMHA402_1
(QUEUINE
TRNA-RIBOSYLTRANSFER
ASE)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 9 GLN A 404
GLY A 390
GLY A 400
ALA A 373
VAL A 372
 None
 1.26A 5v3cA-3qnqA:
undetectable		 5v3cA-3qnqA:
11.34
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.
5V3C_A_AMHA402_1
(QUEUINE
TRNA-RIBOSYLTRANSFER
ASE)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		5 / 9 GLY A 142
GLY A 145
ALA A 149
VAL A 148
MET A  80
 None
 1.21A 5v3cA-3qnqA:
undetectable		 5v3cA-3qnqA:
11.34
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.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		 3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT
(Bacillus
cereus) 		4 / 7 ILE A  83
LEU A 264
THR A 381
ARG A  26
 None
 1.01A 5vc0A-3qnqA:
undetectable		 5vc0A-3qnqA:
22.93