SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5aw4'

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.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 11 ILE A 295
LEU A 103
GLY A  99
PHE A 100
VAL A 300
 None
 1.36A 1axwB-5aw4A:
undetectable		 1axwB-5aw4A:
12.77
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.
1CEB_B_AMHB90_1
(PLASMINOGEN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 7 ASP A1002
TYR A1022
ARG A 940
TYR A1023
 None
 1.34A 1cebB-5aw4A:
undetectable		 1cebB-5aw4A:
5.84
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.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ILE B  42
PHE B  43
GLY B  45
CYH B  46
LEU A 863
 None
 0.88A 1fm6X-5aw4B:
undetectable		 1fm6X-5aw4B:
22.57
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.
1MXD_A_ACRA733_1
(ALPHA AMYLASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 6 SER A 775
ASN A 771
LEU A 767
ASP A 770
 None
 1.30A 1mxdA-5aw4A:
undetectable		 1mxdA-5aw4A:
17.46
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.
1MZ9_A_VDYA1002_5
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 4 LEU A 337
VAL A 340
CYH A 343
ALA A 823
 None
 1.19A 1mz9E-5aw4A:
undetectable		 1mz9E-5aw4A:
4.33
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.
1ONI_C_BEZC505_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 6 TYR A 778
ILE A 926
PRO A 785
GLU A 786
 None
None
None
K  A2005 ( 3.6A)
 1.31A 1oniA-5aw4A:
undetectable
1oniC-5aw4A:
undetectable		 1oniA-5aw4A:
9.99
1oniC-5aw4A:
9.99
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.
1OQ5_A_CELA701_1
(CARBONIC ANHYDRASE
II)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 GLN A 697
HIS A 666
VAL A 266
LEU A 237
PRO A 236
 None
 1.16A 1oq5A-5aw4A:
undetectable		 1oq5A-5aw4A:
12.87
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.
1T88_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 7 PHE A 870
TYR A 869
VAL A 792
GLY A 796
 None
 0.87A 1t88A-5aw4A:
undetectable		 1t88A-5aw4A:
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		5 / 11 PHE B 187
ASN B 284
ILE B 285
GLY B 282
LEU B 242
 None
 0.94A 1z11A-5aw4B:
undetectable		 1z11A-5aw4B:
20.87
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.
1Z11_B_8MOB501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		5 / 11 PHE B 187
ASN B 284
ILE B 285
GLY B 282
LEU B 242
 None
 0.97A 1z11B-5aw4B:
undetectable		 1z11B-5aw4B:
20.87
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		5 / 10 PHE B 187
ASN B 284
ILE B 285
GLY B 282
LEU B 242
 None
 0.94A 1z11C-5aw4B:
undetectable		 1z11C-5aw4B:
20.87
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.
1Z11_D_8MOD501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		5 / 10 PHE B 187
ASN B 284
ILE B 285
GLY B 282
LEU B 242
 None
 0.99A 1z11D-5aw4B:
undetectable		 1z11D-5aw4B:
20.87
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.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 5 ILE A 701
ILE A 634
ILE A 681
LEU A 381
 None
 0.94A 1zgyA-5aw4A:
undetectable		 1zgyA-5aw4A:
14.90
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.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 7 PHE A 870
TYR A 869
VAL A 792
GLY A 796
 None
 0.76A 2a1mA-5aw4A:
undetectable		 2a1mA-5aw4A:
18.01
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.
2A1M_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 8 PHE A 870
TYR A 869
VAL A 792
GLY A 796
 None
 0.80A 2a1mB-5aw4A:
undetectable		 2a1mB-5aw4A:
18.01
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.
2A1O_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 8 PHE A 870
TYR A 869
VAL A 792
GLY A 796
 None
 0.79A 2a1oA-5aw4A:
undetectable		 2a1oA-5aw4A:
17.77
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.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 LEU A 132
ASN A 129
LEU A 113
ALA A 114
LEU A 324
 None
 1.35A 2aa5B-5aw4A:
undetectable		 2aa5B-5aw4A:
14.68
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.
2DCF_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		4 / 6 ALA B 216
TYR B 231
ILE B 276
ILE B 229
 None
 1.08A 2dcfA-5aw4B:
undetectable		 2dcfA-5aw4B:
21.21
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 11 GLU A 221
GLY A 718
THR A 378
GLY A 716
LYS A 698
 MF4  A2001 (-3.4A)
MG  A2002 ( 4.7A)
MF4  A2001 ( 3.9A)
None
MF4  A2001 (-2.7A)
 1.41A 2fn1B-5aw4A:
undetectable		 2fn1B-5aw4A:
20.16
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.
2FT9_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ILE A 373
SER A 375
CYH A 606
VAL A 762
LEU A 750
 None
 1.23A 2ft9A-5aw4A:
2.6		 2ft9A-5aw4A:
8.41
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.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 SER A 147
LEU A 136
ASP A 811
GLY A 335
VAL A 332
 None
None
K  A2003 ( 2.7A)
None
None
 1.15A 2kceA-5aw4A:
undetectable		 2kceA-5aw4A:
12.77
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.
2O5Y_H_STRH249_1
(CHIMERIC ANTIBODY
FAB 1E9-DB3)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 7 GLY A 268
THR A 272
MET A 267
SER A 722
 None
 1.26A 2o5yH-5aw4A:
undetectable
2o5yL-5aw4A:
undetectable		 2o5yH-5aw4A:
13.30
2o5yL-5aw4A:
11.63
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.
2Q2H_B_ACTB501_0
(SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		3 / 3 ARG A 941
SER A 829
TYR A1022
 None
 0.82A 2q2hA-5aw4A:
undetectable
2q2hB-5aw4A:
undetectable		 2q2hA-5aw4A:
8.17
2q2hB-5aw4A:
8.17
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.
2QMZ_A_LDPA501_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 7 TRP A 392
PHE A 585
ILE A 514
PHE A 538
 None
 1.00A 2qmzA-5aw4A:
2.1
2qmzB-5aw4A:
undetectable		 2qmzA-5aw4A:
12.95
2qmzB-5aw4A:
12.95
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.
2XRH_A_NIOA200_1
(PROTEIN HP0721)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 7 GLY B  77
ILE B 184
GLN A 905
LEU B 181
 None
 1.00A 2xrhA-5aw4B:
undetectable		 2xrhA-5aw4B:
19.28
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.
2YGO_A_PCFA1213_1
(WNT INHIBITORY
FACTOR 1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 6 LEU A 934
ILE A 935
ARG A1006
VAL A 364
 None
 1.17A 2ygoA-5aw4A:
undetectable		 2ygoA-5aw4A:
11.10
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.
2ZM7_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		4 / 7 ALA B 216
TYR B 231
ILE B 276
ILE B 229
 None
 1.08A 2zm7A-5aw4B:
undetectable		 2zm7A-5aw4B:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		6 / 10 VAL A 329
ALA A 330
PHE A 793
LEU A 800
THR A 804
ARG A 887
 None
 0.85A 3a3yA-5aw4A:
64.7		 3a3yA-5aw4A:
100.00
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.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 5 LEU A 725
ASP A 721
ILE A 730
GLY A 716
 None
MF4  A2001 ( 4.5A)
None
None
 0.73A 3bufA-5aw4A:
undetectable		 3bufA-5aw4A:
17.62
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 GLY A 379
ASN A 384
ILE A 758
ASP A 753
LEU A 750
 MG  A2002 ( 4.4A)
None
None
None
None
 0.97A 3ihtA-5aw4A:
3.6		 3ihtA-5aw4A:
11.95
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.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		3 / 3 ASN A 720
ASP A 376
ARG A 551
 MF4  A2001 (-3.4A)
MF4  A2001 ( 2.4A)
None
 0.93A 3k13A-5aw4A:
undetectable		 3k13A-5aw4A:
15.39
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.
3K13_C_THHC643_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		3 / 3 ASN A 720
ASP A 376
ARG A 551
 MF4  A2001 (-3.4A)
MF4  A2001 ( 2.4A)
None
 0.94A 3k13C-5aw4A:
undetectable		 3k13C-5aw4A:
15.39
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.
3KO0_K_TFPK201_1
(PROTEIN S100-A4)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		4 / 8 GLY B 295
ILE B 263
PHE B 152
PHE B 240
 None
 0.95A 3ko0K-5aw4B:
undetectable
3ko0S-5aw4B:
undetectable		 3ko0K-5aw4B:
15.74
3ko0S-5aw4B:
15.74
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ASP A 933
ILE A 998
ILE A 857
ASP A1002
ARG A1006
 None
 1.40A 3phaA-5aw4A:
undetectable		 3phaA-5aw4A:
20.67
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.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ASP A 933
ILE A 998
ILE A 857
ASP A1002
ARG A1006
 None
 1.37A 3phaB-5aw4A:
undetectable		 3phaB-5aw4A:
20.67
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.
3SUF_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 VAL A 140
GLY A 144
ILE A 295
GLY A  98
SER A 101
 None
 0.93A 3sufB-5aw4A:
undetectable		 3sufB-5aw4A:
11.21
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		5 / 11 PHE B 187
ASN B 284
ILE B 285
GLY B 282
LEU B 242
 None
 1.03A 3t3rA-5aw4B:
undetectable		 3t3rA-5aw4B:
20.87
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.
3TEH_B_DAHB786_1
(PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 7 LEU A 104
GLY A 326
ALA A 330
PHE A 790
 None
 1.01A 3tehB-5aw4A:
undetectable		 3tehB-5aw4A:
22.64
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.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ILE A 117
ALA A 120
ALA A 119
VAL A 321
ILE A 322
 None
 1.02A 3uvvB-5aw4A:
undetectable		 3uvvB-5aw4A:
12.65
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.
3WRH_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		4 / 6 PHE B 152
TYR B 113
LEU B 109
VAL B 178
 None
 1.14A 3wrhE-5aw4B:
undetectable		 3wrhE-5aw4B:
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.
3WRJ_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		4 / 6 PHE B 152
TYR B 113
LEU B 109
VAL B 178
 None
 1.14A 3wrjE-5aw4B:
undetectable		 3wrjE-5aw4B:
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		3 / 3 ASN A 395
TRP A 392
ASP A 533
 None
 1.28A 4a7tA-5aw4A:
undetectable
4a7tF-5aw4A:
undetectable		 4a7tA-5aw4A:
9.86
4a7tF-5aw4A:
9.86
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.
4AC9_C_DXCC1478_0
(MJ0495-LIKE PROTEIN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 7 ASP A 882
GLY A 885
SER A 901
PHE A 878
 None
 1.04A 4ac9C-5aw4A:
2.3		 4ac9C-5aw4A:
19.59
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.
4C8B_B_0LIB1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		3 / 3 TYR A 981
MET A 980
ILE A 807
 None
 0.85A 4c8bB-5aw4A:
undetectable		 4c8bB-5aw4A:
16.20
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.
4C8B_B_0LIB1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		3 / 3 TYR A 981
MET A 980
ILE A 926
 None
 0.90A 4c8bB-5aw4A:
undetectable		 4c8bB-5aw4A:
16.20
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.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		4 / 6 GLY B 239
PRO B 212
GLY B 282
TYR B 281
 None
 0.68A 4dxuA-5aw4B:
undetectable		 4dxuA-5aw4B:
21.61
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 7 GLY A 546
ALA A 389
GLU A 550
GLN A 539
 None
 0.94A 4g0uB-5aw4A:
undetectable		 4g0uB-5aw4A:
21.66
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 6 GLY A 546
ALA A 389
GLU A 550
GLN A 539
 None
 0.93A 4g0uA-5aw4A:
undetectable		 4g0uA-5aw4A:
21.66
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.
4G10_A_ACTA301_0
(GLUTATHIONE
S-TRANSFERASE
HOMOLOG)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 6 PRO A 579
ILE A 492
TYR A 565
PHE A 571
 None
 1.04A 4g10A-5aw4A:
undetectable		 4g10A-5aw4A:
13.26
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.
4G3R_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		4 / 6 PHE B 152
TYR B 113
LEU B 109
VAL B 178
 None
 1.08A 4g3rB-5aw4B:
undetectable		 4g3rB-5aw4B:
19.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ALA A 330
PHE A 793
LEU A 800
THR A 804
ARG A 887
 None
 0.97A 4hytA-5aw4A:
53.2		 4hytA-5aw4A:
87.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 PHE A 793
LEU A 800
THR A 804
ILE A 807
ARG A 887
 None
 0.75A 4hytA-5aw4A:
53.2		 4hytA-5aw4A:
87.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HYT_C_OBNC2004_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ALA A 330
PHE A 793
LEU A 800
THR A 804
ARG A 887
 None
 0.97A 4hytC-5aw4A:
40.5		 4hytC-5aw4A:
87.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HYT_C_OBNC2004_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 PHE A 793
LEU A 800
THR A 804
ILE A 807
ARG A 887
 None
 0.75A 4hytC-5aw4A:
40.5		 4hytC-5aw4A:
87.45
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.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 VAL A 845
TYR A 854
ILE A 787
ILE A 294
ILE A 292
 None
 0.92A 4iv0A-5aw4A:
undetectable		 4iv0A-5aw4A:
13.65
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 8 GLY A 379
ASN A 384
ARG A 385
ILE A 736
 MG  A2002 ( 4.4A)
None
None
None
 0.98A 4j4vC-5aw4A:
undetectable		 4j4vC-5aw4A:
13.75
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.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 9 TRP A 418
PHE A 555
ALA A 420
LEU A 421
GLY A 587
 None
 1.27A 4l6va-5aw4A:
0.0
4l6vf-5aw4A:
undetectable		 4l6va-5aw4A:
21.91
4l6vf-5aw4A:
8.73
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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 VAL A 845
TYR A 854
ILE A 787
ILE A 294
ILE A 292
 None
 0.93A 4mwzB-5aw4A:
undetectable		 4mwzB-5aw4A:
12.76
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 GLY A 731
ILE A 711
SER A 369
ASN A 360
THR A 282
 K  A2007 ( 4.8A)
None
None
None
None
 0.78A 4pooA-5aw4A:
undetectable		 4pooA-5aw4A:
12.69
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.
4QWU_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 9 ALA A 746
ALA A 745
GLY A 735
GLY A 738
ASP A 721
 None
None
None
None
MF4  A2001 ( 4.5A)
 1.15A 4qwuY-5aw4A:
undetectable
4qwuZ-5aw4A:
undetectable		 4qwuY-5aw4A:
13.05
4qwuZ-5aw4A:
12.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 GLU A 319
PHE A 323
GLY A 326
ALA A 330
GLU A 334
 None
None
None
None
K  A2005 ( 3.5A)
 1.05A 4retA-5aw4A:
52.9		 4retA-5aw4A:
87.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 LEU A 800
GLU A 915
GLY A 865
ALA A 991
LEU A 983
 None
 1.30A 4retA-5aw4A:
52.9		 4retA-5aw4A:
87.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 LEU A 800
GLU A 915
GLY A 865
ALA A 991
LEU A 983
 None
 1.29A 4retC-5aw4A:
47.8		 4retC-5aw4A:
87.45
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 10 GLY A 957
GLU A 961
LEU A 822
ASP A 933
ALA A 932
 None
 1.32A 4wnuD-5aw4A:
undetectable		 4wnuD-5aw4A:
18.92
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.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		4 / 7 LYS B 193
TYR B 281
LEU B 211
PHE B 240
 None
 0.95A 4yv5A-5aw4B:
undetectable		 4yv5A-5aw4B:
17.55
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.
4YV5_B_SVRB207_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		4 / 7 LYS B 193
TYR B 281
LEU B 211
PHE B 240
 None
 0.93A 4yv5B-5aw4B:
undetectable		 4yv5B-5aw4B:
17.55
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.
5DBY_A_NPSA602_1
(SERUM ALBUMIN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 LEU A 456
PHE A 411
CYH A 463
SER A 422
LEU A 421
 None
 1.35A 5dbyA-5aw4A:
undetectable		 5dbyA-5aw4A:
19.01
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.
5E72_A_SAMA400_0
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias;
Squalus
acanthias) 		5 / 12 GLY A 796
ILE A 884
ILE A 872
ALA A 874
LEU B  58
 None
 0.97A 5e72A-5aw4A:
3.1		 5e72A-5aw4A:
16.50
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.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		5 / 9 GLY B 227
SER B 228
GLU B 230
ILE B 276
ALA B 217
 None
None
NAG  B4021 (-3.7A)
None
None
 1.20A 5entC-5aw4B:
undetectable		 5entC-5aw4B:
16.53
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.
5ESH_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ALA A 431
LEU A 457
ILE A 397
GLY A 546
PHE A 555
 None
 1.18A 5eshA-5aw4A:
undetectable		 5eshA-5aw4A:
18.45
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 8 GLN A 930
LEU A 954
LEU A 822
THR A 339
 None
 1.05A 5hs6A-5aw4A:
4.9		 5hs6A-5aw4A:
14.65
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias;
Squalus
acanthias) 		4 / 6 TYR A1023
ILE A 998
TYR A1001
TYR B  40
 None
None
None
CLR  B3001 ( 4.0A)
 1.02A 5igyA-5aw4A:
undetectable		 5igyA-5aw4A:
16.21
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.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias;
Squalus
acanthias) 		4 / 6 TYR A1023
ILE A 998
TYR A1001
TYR B  40
 None
None
None
CLR  B3001 ( 4.0A)
 1.04A 5ih0A-5aw4A:
undetectable		 5ih0A-5aw4A:
16.21
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.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		3 / 3 THR A 693
THR A 380
LEU A 725
 None
 0.55A 5m66D-5aw4A:
3.6		 5m66D-5aw4A:
19.42
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 10 ALA A 271
SER A 275
PHE A 161
THR A 247
PRO A 723
 None
 1.42A 5mm4B-5aw4A:
2.7		 5mm4B-5aw4A:
5.98
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.
5ONL_A_010A302_0
(YNDL)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 5 GLU A 287
LYS A 843
GLU A 365
PHE A 769
 None
 1.34A 5onlA-5aw4A:
undetectable		 5onlA-5aw4A:
12.50
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.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 8 LEU A 104
ILE A 807
LEU A 302
ALA A 299
 None
 0.87A 5y7pC-5aw4A:
undetectable		 5y7pC-5aw4A:
16.44
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.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 10 ILE A 270
ILE A 749
ALA A 746
LEU A 725
ALA A 728
 None
None
None
None
K  A2007 ( 4.5A)
 1.21A 5zjiB-5aw4A:
undetectable		 5zjiB-5aw4A:
5.76
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.
6BKL_C_EU7C101_0
(MATRIX PROTEIN 2)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 9 ALA A 733
VAL A 741
ALA A 745
VAL A 719
SER A 722
 None
 1.28A 6bklA-5aw4A:
undetectable
6bklB-5aw4A:
undetectable
6bklC-5aw4A:
undetectable
6bklD-5aw4A:
undetectable		 6bklA-5aw4A:
4.17
6bklB-5aw4A:
4.17
6bklC-5aw4A:
4.17
6bklD-5aw4A:
4.17
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.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ASP A 933
ILE A 998
ILE A 857
ASP A1002
ARG A1006
 None
 1.39A 6ca1A-5aw4A:
undetectable		 6ca1A-5aw4A:
5.62
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.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ASP A 933
ILE A 998
ILE A 857
ASP A1002
ARG A1006
 None
 1.39A 6ca1B-5aw4A:
undetectable		 6ca1B-5aw4A:
5.62
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.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ASP A 933
ILE A 998
ILE A 857
ASP A1002
ARG A1006
 None
 1.39A 6ca3A-5aw4A:
undetectable		 6ca3A-5aw4A:
5.62
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.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ASP A 933
ILE A 998
ILE A 857
ASP A1002
ARG A1006
 None
 1.40A 6ca3B-5aw4A:
undetectable		 6ca3B-5aw4A:
5.62
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 5 ILE A 794
SER A 310
LEU A 800
LYS A 912
 None
 0.74A 6dwnA-5aw4A:
undetectable		 6dwnA-5aw4A:
6.19
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.
6F6I_A_8PRA509_1
(ENVELOPE
GLYCOPROTEIN,GP,GP1
ENVELOPE
GLYCOPROTEIN)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 VAL A 329
GLU A 786
LEU A 812
LEU A 132
LEU A 136
 None
K  A2005 ( 3.6A)
None
None
None
 1.17A 6f6iA-5aw4A:
undetectable
6f6iB-5aw4A:
undetectable		 6f6iA-5aw4A:
5.92
6f6iB-5aw4A:
7.02
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.
6FGD_A_ACTA821_0
(GEPHYRIN)		 5aw4 NA+,K+-ATPASE BETA
SUBUNIT
(Squalus
acanthias) 		3 / 3 ARG B  28
PHE B  25
GLY B  27
 CLR  B3001 (-3.5A)
None
None
 0.74A 6fgdA-5aw4B:
undetectable		 6fgdA-5aw4B:
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.
6HRJ_A_010A302_0
(YNDL)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 5 GLU A 287
LYS A 843
GLU A 365
PHE A 769
 None
 1.37A 6hrjA-5aw4A:
undetectable		 6hrjA-5aw4A:
12.61
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.
6HU9_E_PCFE202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		4 / 8 TYR A 854
ILE A 784
ALA A 330
VAL A 329
 None
 1.06A 6hu9a-5aw4A:
2.4
6hu9e-5aw4A:
undetectable		 6hu9a-5aw4A:
19.57
6hu9e-5aw4A:
8.91
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.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 5aw4 NA, K-ATPASE ALPHA
SUBUNIT
(Squalus
acanthias) 		5 / 12 ILE A 514
LEU A 456
LEU A 588
GLY A 587
ALA A 590
 None
 1.08A 6r2eH-5aw4A:
undetectable		 6r2eH-5aw4A:
15.82