SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3eaf'

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.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 8 ALA A 120
LEU A 340
LEU A 341
LEU A 361
ALA A 344
 None
 1.39A 1e7cA-3eafA:
undetectable		 1e7cA-3eafA:
21.24
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.
1NT6_A_DVAA8_0
(GRAMICIDIN C)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 5 GLY A 294
VAL A 273
TRP A 274
TRP A 245
 None
None
GOL  A 500 (-3.7A)
None
 0.98A 1nt6A-3eafA:
undetectable		 1nt6A-3eafA:
5.14
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.
1NT6_B_DVAB8_0
(GRAMICIDIN C)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 5 GLY A 294
VAL A 273
TRP A 274
TRP A 245
 None
None
GOL  A 500 (-3.7A)
None
 0.98A 1nt6B-3eafA:
undetectable		 1nt6B-3eafA:
5.14
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.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 5 GLY A 275
ILE A 250
VAL A 292
SER A 254
 None
 1.17A 1rs7A-3eafA:
undetectable		 1rs7A-3eafA:
20.65
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.
1X1A_A_SAMA4264_0
(CRTF-RELATED PROTEIN)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 ALA A 317
GLY A  64
GLY A  68
ILE A 327
ASP A  53
 None
 1.09A 1x1aA-3eafA:
3.7		 1x1aA-3eafA:
21.86
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.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 6 SER A 145
ALA A 146
SER A 147
THR A 129
 None
GOL  A 500 ( 4.2A)
GOL  A 500 (-3.5A)
None
 1.03A 1yvpB-3eafA:
4.7		 1yvpB-3eafA:
21.72
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.
1Z95_A_198A501_2
(ANDROGEN RECEPTOR)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 6 ASN A 272
LEU A 187
LEU A 220
ILE A 200
 None
 0.89A 1z95A-3eafA:
undetectable		 1z95A-3eafA:
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.
1Z95_A_198A501_2
(ANDROGEN RECEPTOR)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 6 ASN A 272
LEU A 187
MET A 260
ILE A 200
 None
 0.96A 1z95A-3eafA:
undetectable		 1z95A-3eafA:
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.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 LEU A 270
LEU A 176
SER A 178
CYH A 418
ALA A 202
 None
 0.98A 2br4A-3eafA:
3.6		 2br4A-3eafA:
19.14
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.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 LEU A 270
LEU A 176
SER A 178
CYH A 418
ALA A 202
 None
 1.03A 2br4D-3eafA:
4.2		 2br4D-3eafA:
19.14
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.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 7 SER A 145
ALA A 146
SER A 147
THR A 129
 None
GOL  A 500 ( 4.2A)
GOL  A 500 (-3.5A)
None
 1.06A 2i91A-3eafA:
5.3		 2i91A-3eafA:
21.72
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.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 7 SER A 145
ALA A 146
SER A 147
THR A 129
 None
GOL  A 500 ( 4.2A)
GOL  A 500 (-3.5A)
None
 1.06A 2i91B-3eafA:
4.4		 2i91B-3eafA:
21.72
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.
3BJW_G_SVRG506_3
(PHOSPHOLIPASE A2)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		3 / 3 PRO A 297
PHE A 410
LYS A 392
 None
 1.28A 3bjwG-3eafA:
undetectable		 3bjwG-3eafA:
15.06
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_A_TFPA202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.21A 3ko0A-3eafA:
undetectable
3ko0B-3eafA:
undetectable
3ko0C-3eafA:
undetectable
3ko0D-3eafA:
undetectable		 3ko0A-3eafA:
12.92
3ko0B-3eafA:
12.92
3ko0C-3eafA:
12.92
3ko0D-3eafA:
12.92
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 11 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.21A 3ko0A-3eafA:
undetectable
3ko0B-3eafA:
undetectable
3ko0C-3eafA:
undetectable
3ko0D-3eafA:
undetectable		 3ko0A-3eafA:
12.92
3ko0B-3eafA:
12.92
3ko0C-3eafA:
12.92
3ko0D-3eafA:
12.92
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.
3KO0_D_TFPD202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 11 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.21A 3ko0C-3eafA:
undetectable
3ko0D-3eafA:
undetectable
3ko0E-3eafA:
undetectable
3ko0F-3eafA:
undetectable		 3ko0C-3eafA:
12.92
3ko0D-3eafA:
12.92
3ko0E-3eafA:
12.92
3ko0F-3eafA:
12.92
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.
3KO0_E_TFPE202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 11 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.17A 3ko0C-3eafA:
undetectable
3ko0D-3eafA:
undetectable
3ko0E-3eafA:
undetectable
3ko0F-3eafA:
undetectable		 3ko0C-3eafA:
12.92
3ko0D-3eafA:
12.92
3ko0E-3eafA:
12.92
3ko0F-3eafA:
12.92
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.
3KO0_F_TFPF202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 11 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.13A 3ko0E-3eafA:
undetectable
3ko0F-3eafA:
undetectable
3ko0G-3eafA:
undetectable
3ko0H-3eafA:
undetectable		 3ko0E-3eafA:
12.92
3ko0F-3eafA:
12.92
3ko0G-3eafA:
12.92
3ko0H-3eafA:
12.92
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.
3KO0_G_TFPG202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 10 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.16A 3ko0E-3eafA:
undetectable
3ko0F-3eafA:
undetectable
3ko0G-3eafA:
undetectable
3ko0H-3eafA:
undetectable		 3ko0E-3eafA:
12.92
3ko0F-3eafA:
12.92
3ko0G-3eafA:
12.92
3ko0H-3eafA:
12.92
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.
3KO0_H_TFPH202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.16A 3ko0G-3eafA:
undetectable
3ko0H-3eafA:
undetectable
3ko0I-3eafA:
undetectable
3ko0J-3eafA:
undetectable		 3ko0G-3eafA:
12.92
3ko0H-3eafA:
12.92
3ko0I-3eafA:
12.92
3ko0J-3eafA:
12.92
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.
3KO0_I_TFPI202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.22A 3ko0G-3eafA:
undetectable
3ko0H-3eafA:
undetectable
3ko0I-3eafA:
undetectable
3ko0J-3eafA:
undetectable		 3ko0G-3eafA:
12.92
3ko0H-3eafA:
12.92
3ko0I-3eafA:
12.92
3ko0J-3eafA:
12.92
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.
3KO0_J_TFPJ202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 11 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.15A 3ko0A-3eafA:
undetectable
3ko0B-3eafA:
undetectable
3ko0I-3eafA:
undetectable
3ko0J-3eafA:
undetectable		 3ko0A-3eafA:
12.92
3ko0B-3eafA:
12.92
3ko0I-3eafA:
12.92
3ko0J-3eafA:
12.92
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.
3KO0_K_TFPK202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.16A 3ko0K-3eafA:
undetectable
3ko0L-3eafA:
undetectable
3ko0S-3eafA:
undetectable
3ko0T-3eafA:
undetectable		 3ko0K-3eafA:
12.92
3ko0L-3eafA:
12.92
3ko0S-3eafA:
12.92
3ko0T-3eafA:
12.92
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.
3KO0_L_TFPL202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.20A 3ko0K-3eafA:
undetectable
3ko0L-3eafA:
undetectable
3ko0M-3eafA:
undetectable
3ko0N-3eafA:
undetectable		 3ko0K-3eafA:
12.92
3ko0L-3eafA:
12.92
3ko0M-3eafA:
12.92
3ko0N-3eafA:
12.92
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.
3KO0_M_TFPM202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.18A 3ko0M-3eafA:
undetectable
3ko0N-3eafA:
undetectable
3ko0O-3eafA:
undetectable
3ko0P-3eafA:
undetectable		 3ko0M-3eafA:
12.92
3ko0N-3eafA:
12.92
3ko0O-3eafA:
12.92
3ko0P-3eafA:
12.92
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.
3KO0_N_TFPN202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 11 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.15A 3ko0K-3eafA:
undetectable
3ko0L-3eafA:
undetectable
3ko0M-3eafA:
undetectable
3ko0N-3eafA:
undetectable		 3ko0K-3eafA:
12.92
3ko0L-3eafA:
12.92
3ko0M-3eafA:
12.92
3ko0N-3eafA:
12.92
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.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 11 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.21A 3ko0O-3eafA:
undetectable
3ko0P-3eafA:
undetectable
3ko0Q-3eafA:
undetectable
3ko0R-3eafA:
undetectable		 3ko0O-3eafA:
12.92
3ko0P-3eafA:
12.92
3ko0Q-3eafA:
12.92
3ko0R-3eafA:
12.92
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.
3KO0_P_TFPP202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.18A 3ko0M-3eafA:
undetectable
3ko0N-3eafA:
undetectable
3ko0O-3eafA:
undetectable
3ko0P-3eafA:
undetectable		 3ko0M-3eafA:
12.92
3ko0N-3eafA:
12.92
3ko0O-3eafA:
12.92
3ko0P-3eafA:
12.92
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.
3KO0_R_TFPR202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 11 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.21A 3ko0Q-3eafA:
undetectable
3ko0R-3eafA:
undetectable
3ko0S-3eafA:
undetectable
3ko0T-3eafA:
undetectable		 3ko0Q-3eafA:
12.92
3ko0R-3eafA:
12.92
3ko0S-3eafA:
12.92
3ko0T-3eafA:
12.92
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.
3KO0_T_TFPT202_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 11 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.23A 3ko0Q-3eafA:
undetectable
3ko0R-3eafA:
undetectable
3ko0S-3eafA:
undetectable
3ko0T-3eafA:
undetectable		 3ko0Q-3eafA:
12.92
3ko0R-3eafA:
12.92
3ko0S-3eafA:
12.92
3ko0T-3eafA:
12.92
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.
3M0W_G_P77G203_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 9 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.13A 3m0wG-3eafA:
undetectable
3m0wH-3eafA:
undetectable
3m0wI-3eafA:
undetectable
3m0wJ-3eafA:
undetectable		 3m0wG-3eafA:
12.08
3m0wH-3eafA:
12.08
3m0wI-3eafA:
12.08
3m0wJ-3eafA:
12.08
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 10 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.13A 3m0wE-3eafA:
undetectable
3m0wF-3eafA:
undetectable
3m0wG-3eafA:
undetectable
3m0wH-3eafA:
undetectable		 3m0wE-3eafA:
12.08
3m0wF-3eafA:
12.08
3m0wG-3eafA:
12.08
3m0wH-3eafA:
12.08
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.
3M0W_I_P77I203_1
(PROTEIN S100-A4)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 10 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.12A 3m0wA-3eafA:
undetectable
3m0wB-3eafA:
undetectable
3m0wI-3eafA:
undetectable
3m0wJ-3eafA:
undetectable		 3m0wA-3eafA:
12.08
3m0wB-3eafA:
12.08
3m0wI-3eafA:
12.08
3m0wJ-3eafA:
12.08
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 TYR A 390
ILE A 395
PHE A 410
PHE A 175
ILE A 295
 None
 1.35A 3ndiA-3eafA:
3.7		 3ndiA-3eafA:
22.67
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.
4BBO_B_ACTB1114_0
(BLR5658 PROTEIN)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		3 / 3 TRP A 274
TRP A 124
THR A  58
 GOL  A 500 (-3.7A)
GOL  A 500 (-3.7A)
GOL  A 500 ( 4.3A)
 1.35A 4bboB-3eafA:
undetectable		 4bboB-3eafA:
16.58
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.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 5 GLY A 275
ILE A 250
VAL A 292
SER A 254
 None
 1.23A 4d33A-3eafA:
undetectable		 4d33A-3eafA:
20.95
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.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 5 GLY A 275
ILE A 250
VAL A 292
SER A 254
 None
 1.23A 4d33B-3eafA:
undetectable		 4d33B-3eafA:
20.95
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 7 ALA A 206
ALA A 169
ALA A 412
PRO A 413
 None
 0.70A 4du2A-3eafA:
undetectable		 4du2A-3eafA:
21.86
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.
4DU2_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 7 ALA A 206
ALA A 169
ALA A 412
PRO A 413
 None
 0.62A 4du2B-3eafA:
undetectable		 4du2B-3eafA:
21.86
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 7 PHE A 303
PRO A 281
GLN A 405
PHE A 276
 None
 1.46A 4grqA-3eafA:
undetectable
4grqC-3eafA:
undetectable		 4grqA-3eafA:
19.00
4grqC-3eafA:
19.00
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 LEU A 185
PRO A 241
ALA A 233
TYR A 189
ILE A 200
 None
 1.22A 4l9qA-3eafA:
undetectable		 4l9qA-3eafA:
21.24
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.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		3 / 3 PRO A 301
MET A 302
TYR A 300
 None
 1.02A 4qa0B-3eafA:
3.1		 4qa0B-3eafA:
23.49
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.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		3 / 3 PRO A 301
MET A 302
TYR A 300
 None
 1.00A 4qa0A-3eafA:
undetectable		 4qa0A-3eafA:
23.49
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.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		3 / 3 PRO A 301
MET A 302
TYR A 300
 None
 0.91A 4qa2B-3eafA:
2.7		 4qa2B-3eafA:
23.49
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.
4QYN_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 ILE A 122
ALA A  72
THR A  83
VAL A 348
LEU A 341
 None
 1.29A 4qynA-3eafA:
0.7		 4qynA-3eafA:
14.95
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.
4QZU_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 ILE A 122
ALA A  72
THR A  83
VAL A 348
LEU A 341
 None
 1.25A 4qzuA-3eafA:
undetectable		 4qzuA-3eafA:
14.95
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.
4ZDY_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		3 / 3 ALA A 419
TYR A 421
PRO A 413
 None
 0.72A 4zdyA-3eafA:
0.7		 4zdyA-3eafA:
22.06
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.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		6 / 12 TYR A 382
LEU A 365
LEU A 361
ALA A 344
ILE A 375
ILE A 144
 None
 1.39A 5h8tA-3eafA:
undetectable		 5h8tA-3eafA:
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.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 8 LEU A 185
LEU A 270
TYR A 189
MET A 236
 None
 1.16A 5hbsA-3eafA:
undetectable		 5hbsA-3eafA:
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.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 8 ILE A 121
GLY A 123
ASN A 158
PHE A 370
 None
 0.94A 5hieD-3eafA:
undetectable		 5hieD-3eafA:
20.81
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.
5HWA_A_GCSA303_1
(CHITOSANASE)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 5 ASP A  53
VAL A 193
GLY A 125
ALA A 127
 None
None
GOL  A 500 (-3.3A)
None
 1.04A 5hwaA-3eafA:
undetectable		 5hwaA-3eafA:
21.57
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.
5IFU_A_GBMA801_1
(PROLINE--TRNA LIGASE)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 TYR A  65
TYR A  98
ILE A 121
ILE A 122
TYR A 148
 None
 1.24A 5ifuA-3eafA:
3.0		 5ifuA-3eafA:
23.15
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.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 6 GLU A 130
ALA A 150
LEU A 152
SER A 198
 None
 1.08A 5phhA-3eafA:
undetectable		 5phhA-3eafA:
22.88
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.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 LEU A  44
ILE A  46
ALA A 120
THR A 142
ALA A 364
 None
 1.07A 5veuA-3eafA:
undetectable		 5veuA-3eafA:
22.97
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		4 / 6 LYS A 362
LEU A 365
PHE A 370
LEU A 340
 None
 1.23A 5x19P-3eafA:
undetectable		 5x19P-3eafA:
21.58
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		 3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(Aeropyrum
pernix) 		5 / 12 LEU A 341
THR A  45
ILE A  46
ALA A  69
LEU A  50
 None
 1.28A 6ie8A-3eafA:
undetectable		 6ie8A-3eafA:
18.96