SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3rx8'

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.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 8 VAL A 158
ASP A 353
TRP A 311
LEU A 201
 None
 1.12A 1pk2A-3rx8A:
undetectable		 1pk2A-3rx8A:
10.37
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.
1SN0_C_T44C601_1
(TRANSTHYRETIN)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		5 / 9 LEU A 162
ALA A 164
LEU A  96
GLU A 192
ALA A 194
 None
 1.26A 1sn0A-3rx8A:
4.5
1sn0C-3rx8A:
4.7		 1sn0A-3rx8A:
14.23
1sn0C-3rx8A:
14.23
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)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 381
LEU A 378
LEU A 375
LEU A 348
MET A 352
 None
 1.44A 1sqnA-3rx8A:
undetectable		 1sqnA-3rx8A:
18.23
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)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 VAL A 479
GLY A 480
VAL A 516
TRP A 401
 None
None
None
9MR  A 601 (-3.9A)
 1.33A 1tkqB-3rx8A:
undetectable		 1tkqB-3rx8A:
4.70
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.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 TYR A 349
SER A 522
ALA A 157
ASN A 409
 None
 1.14A 1yvpB-3rx8A:
undetectable		 1yvpB-3rx8A:
21.27
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.
1ZLQ_A_ACTA1507_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 GLN A 102
HIS A 462
ARG A 463
 None
None
9MR  A 603 (-2.7A)
 0.75A 1zlqA-3rx8A:
undetectable		 1zlqA-3rx8A:
21.17
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.
2BM9_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 LYS A 215
ASP A 293
ASN A 291
 None
 0.93A 2bm9A-3rx8A:
undetectable		 2bm9A-3rx8A:
16.88
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.
2E1Q_A_SALA2006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 ARG A 275
THR A 320
LEU A 257
ALA A 271
 None
 1.05A 2e1qA-3rx8A:
undetectable		 2e1qA-3rx8A:
18.16
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.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 ARG A 275
THR A 320
LEU A 257
ALA A 271
 None
 1.09A 2e1qD-3rx8A:
undetectable		 2e1qD-3rx8A:
18.16
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)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 381
LEU A 378
LEU A 375
LEU A 348
MET A 352
 None
 1.47A 2w8yB-3rx8A:
undetectable		 2w8yB-3rx8A:
18.22
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.
3D91_A_REMA350_2
(RENIN)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 ALA A 255
ALA A 164
TYR A 167
MET A 412
 None
None
MPD  A 540 ( 4.1A)
None
 1.10A 3d91A-3rx8A:
undetectable		 3d91A-3rx8A:
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.
3KO0_B_TFPB202_1
(PROTEIN S100-A4)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 GLU A 330
LEU A 333
ASP A 334
 None
 0.47A 3ko0A-3rx8A:
undetectable		 3ko0A-3rx8A:
9.87
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.
3NS1_L_PM6L1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 8 ARG A 275
THR A 320
LEU A 257
ALA A 271
 None
 1.00A 3ns1L-3rx8A:
undetectable		 3ns1L-3rx8A:
21.46
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.
3R9T_A_BEZA264_0
(ECHA1_1)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 8 ALA A 255
ILE A 198
ALA A 273
ALA A 274
 None
 0.69A 3r9tA-3rx8A:
undetectable		 3r9tA-3rx8A:
22.08
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.
3TM4_A_SAMA401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 HIS A 507
SER A 510
THR A 513
ASP A 468
 None
 1.34A 3tm4A-3rx8A:
undetectable		 3tm4A-3rx8A:
20.46
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.
3W1W_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 LEU A 187
PRO A 188
LEU A 191
 None
 0.46A 3w1wB-3rx8A:
undetectable		 3w1wB-3rx8A:
20.69
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.
4F3T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 LEU A  64
TYR A  16
LEU A  36
TYR A  70
 None
 1.06A 4f3tA-3rx8A:
undetectable		 4f3tA-3rx8A:
21.19
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.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 ALA A 431
ALA A 434
ALA A 435
VAL A  91
LEU A  92
 None
 1.00A 4jbtB-3rx8A:
undetectable		 4jbtB-3rx8A:
23.86
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.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		5 / 10 ALA A 427
LEU A 423
LEU A 415
LEU A 531
ALA A 530
 None
 0.98A 4zbrA-3rx8A:
undetectable		 4zbrA-3rx8A:
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.
4ZE2_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 ALA A 434
TYR A 437
HIS A 485
PHE A 399
 None
 1.32A 4ze2A-3rx8A:
undetectable		 4ze2A-3rx8A:
20.63
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.
5KI6_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 LEU A  64
TYR A  16
LEU A  36
TYR A  70
 None
 1.16A 5ki6A-3rx8A:
undetectable		 5ki6A-3rx8A:
20.96
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.
5VCV_A_1N1A404_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 VAL A 518
LEU A 103
CYH A 104
ASP A 146
 None
None
ZN  A 539 (-2.3A)
9MR  A 601 ( 2.9A)
 1.23A 5vcvA-3rx8A:
undetectable		 5vcvA-3rx8A:
22.24
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 VAL A 152
TYR A 300
GLU A 308
 None
9MR  A 601 (-4.2A)
CA  A 538 (-2.1A)
 0.87A 5zmqD-3rx8A:
undetectable
5zmqE-3rx8A:
undetectable		 5zmqD-3rx8A:
18.06
5zmqE-3rx8A:
8.85