SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'OAA'


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.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A
(Burkholderia
glumae) 		5 / 12 PHE A 348
PHE A 316
ALA A  13
HIS A 224
HIS A 222
 OAA  A 602 (-4.8A)
None
OAA  A 602 ( 4.5A)
MG  A 601 ( 3.3A)
MG  A 601 ( 3.4A)
 1.45A 1a4lB-4nnbA:
9.8		 1a4lB-4nnbA:
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.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		 1sgj CITRATE LYASE, BETA
SUBUNIT
(Deinococcus
radiodurans) 		4 / 7 ARG A  74
VAL A  98
ASN A  76
ASP A  39
 OAA  A 285 ( 2.3A)
None
None
OAA  A 285 (-4.6A)
 1.34A 1hwiC-1sgjA:
undetectable		 1hwiC-1sgjA:
22.13
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.
1HWI_D_115D3_2
(HMG-COA REDUCTASE)		 1sgj CITRATE LYASE, BETA
SUBUNIT
(Deinococcus
radiodurans) 		4 / 7 ARG A  74
VAL A  98
ASN A  76
ASP A  39
 OAA  A 285 ( 2.3A)
None
None
OAA  A 285 (-4.6A)
 1.35A 1hwiD-1sgjA:
undetectable		 1hwiD-1sgjA:
22.13
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.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)		 4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A
(Burkholderia
glumae) 		5 / 11 VAL A 314
GLY A 321
HIS A 224
PHE A 348
GLU A 473
 None
None
MG  A 601 ( 3.3A)
OAA  A 602 (-4.8A)
MG  A 601 ( 2.6A)
 1.36A 1iolA-4nnbA:
2.4		 1iolA-4nnbA:
22.55
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		 5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL
(Aspergillus
fumigatus) 		5 / 11 ILE A 210
HIS A 305
PRO A 438
VAL A 407
ASP A 408
 None
OAA  A 501 (-4.4A)
None
None
None
 1.32A 1mrlA-5uqrA:
undetectable
1mrlB-5uqrA:
undetectable		 1mrlA-5uqrA:
15.71
1mrlB-5uqrA:
15.71
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		 5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL
(Aspergillus
fumigatus) 		5 / 12 ILE A 210
HIS A 305
PRO A 438
VAL A 407
ASP A 408
 None
OAA  A 501 (-4.4A)
None
None
None
 1.26A 1mrlB-5uqrA:
undetectable
1mrlC-5uqrA:
undetectable		 1mrlB-5uqrA:
15.71
1mrlC-5uqrA:
15.71
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.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 4tv6 2-DEHYDRO-3-DEOXYGLU
CARATE ALDOLASE
(Staphylococcus
aureus) 		5 / 9 VAL A 172
ILE A 233
ILE A  43
PRO A  95
ILE A 147
 None
None
None
OAA  A 301 (-4.8A)
None
 1.00A 1ohrB-4tv6A:
undetectable		 1ohrB-4tv6A:
16.99
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A
(Burkholderia
glumae) 		4 / 8 TYR A 322
SER A 310
HIS A 222
SER A 308
 OAA  A 602 (-4.3A)
OAA  A 602 ( 4.7A)
MG  A 601 ( 3.4A)
OAA  A 602 (-2.5A)
 1.21A 2vmyA-4nnbA:
undetectable
2vmyB-4nnbA:
undetectable		 2vmyA-4nnbA:
22.48
2vmyB-4nnbA:
22.48
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.
2YFX_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 1sgj CITRATE LYASE, BETA
SUBUNIT
(Deinococcus
radiodurans) 		5 / 8 LEU A 102
ALA A 126
GLY A 133
GLY A 152
ASP A 155
 None
None
None
OAA  A 285 ( 4.8A)
MG  A 286 ( 4.6A)
 1.35A 2yfxA-1sgjA:
undetectable		 2yfxA-1sgjA:
20.99
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.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		3 / 3 MET A 206
CYH A 160
PRO A 199
 OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.9A)
NAP  A 800 (-4.1A)
 0.89A 3h52C-1oaaA:
undetectable		 3h52C-1oaaA:
23.02
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.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3rq1 AMINOTRANSFERASE
CLASS I AND II
(Veillonella
parvula) 		4 / 5 ASN A 187
THR A 109
SER A 258
ARG A 267
 None
None
None
OAA  A 422 (-3.7A)
 1.28A 3hlwB-3rq1A:
undetectable		 3hlwB-3rq1A:
21.20
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.
3K4V_B_ROCB201_4
(HIV-1 PROTEASE)		 4tvm CITRATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 4 ARG A 282
ASP A 366
GLY A 269
THR A 380
 None
OAA  A 501 ( 4.6A)
None
None
 1.45A 3k4vB-4tvmA:
undetectable		 3k4vB-4tvmA:
13.44
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.
3KO0_Q_TFPQ202_1
(PROTEIN S100-A4)		 4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A
(Burkholderia
glumae) 		5 / 10 SER A 310
LEU A 223
SER A 275
ILE A  11
ASP A 474
 OAA  A 602 ( 4.7A)
None
OAA  A 602 (-2.8A)
None
None
 1.48A 3ko0O-4nnbA:
undetectable
3ko0P-4nnbA:
undetectable
3ko0Q-4nnbA:
undetectable
3ko0R-4nnbA:
undetectable		 3ko0O-4nnbA:
10.93
3ko0P-4nnbA:
10.93
3ko0Q-4nnbA:
10.93
3ko0R-4nnbA:
10.93
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3rq1 AMINOTRANSFERASE
CLASS I AND II
(Veillonella
parvula) 		3 / 3 ALA A 106
ARG A 267
LYS A 259
 None
OAA  A 422 (-3.7A)
OAA  A 422 (-2.8A)
 0.96A 3kp3B-3rq1A:
1.4		 3kp3B-3rq1A:
16.83
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3msu CITRATE SYNTHASE
(Francisella
tularensis) 		5 / 12 TYR A  88
TYR A 196
PHE A 109
ALA A 164
MET A 226
 OAA  A 430 (-4.4A)
OAA  A 430 (-4.5A)
OAA  A 430 (-4.5A)
None
None
 1.36A 3ld6A-3msuA:
undetectable		 3ld6A-3msuA:
21.83
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3msu CITRATE SYNTHASE
(Francisella
tularensis) 		5 / 12 TYR A  88
TYR A 196
PHE A 109
ALA A 164
MET A 226
 OAA  A 430 (-4.4A)
OAA  A 430 (-4.5A)
OAA  A 430 (-4.5A)
None
None
 1.33A 3ld6B-3msuA:
undetectable		 3ld6B-3msuA:
21.83
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.
3QXV_D_MTXD2000_2
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 1sgj CITRATE LYASE, BETA
SUBUNIT
(Deinococcus
radiodurans) 		3 / 3 LEU A  25
ARG A  74
ASN A  17
 None
OAA  A 285 ( 2.3A)
None
 0.71A 3qxvD-1sgjA:
undetectable		 3qxvD-1sgjA:
15.85
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 12 THR A 316
GLY A 259
GLY A 261
HIS A 262
PHE A 275
 OAA  A 501 ( 4.9A)
CMC  A 701 (-3.3A)
CMC  A 701 (-3.2A)
OAA  A 501 ( 4.0A)
None
 1.04A 3tkaA-2r26A:
undetectable		 3tkaA-2r26A:
21.45
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 12 ASP A 317
ILE A 327
THR A 316
PHE A 160
ALA A  95
 CMC  A 701 (-2.7A)
None
OAA  A 501 ( 4.9A)
None
None
 1.30A 3ua1A-2r26A:
undetectable		 3ua1A-2r26A:
22.80
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.
3ZQE_B_DXCB1079_0
(PROTEIN PRGI, CELL
INVASION PROTEIN
SIPD)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 11 PRO A 190
SER A 192
GLN A  51
THR A 185
GLN A 349
 OAA  A 501 (-4.0A)
OAA  A 501 ( 4.9A)
None
None
None
 1.44A 3zqeA-2r26A:
0.0
3zqeB-2r26A:
0.0		 3zqeA-2r26A:
21.77
3zqeB-2r26A:
21.77
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.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL
(Aspergillus
fumigatus) 		5 / 12 HIS A 266
GLY A 431
TYR A 293
GLY A 296
SER A 275
 None
None
None
None
OAA  A 501 ( 4.9A)
 1.20A 4blvB-5uqrA:
undetectable		 4blvB-5uqrA:
undetectable
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.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL
(Aspergillus
fumigatus) 		3 / 3 ARG A 434
TRP A  81
GLY A 271
 OAA  A 501 (-3.0A)
None
None
 0.69A 4e7cA-5uqrA:
undetectable		 4e7cA-5uqrA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_A_SFYA807_0
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		9 / 11 SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
MET A 206
GLN A 207
ALA A 210
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.6A)
OAA  A   1 (-3.5A)
 0.29A 4hwkA-1oaaA:
42.1		 4hwkA-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		10 / 11 LEU A 105
SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
MET A 206
GLN A 207
ALA A 210
 OAA  A   1 (-4.0A)
OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.6A)
OAA  A   1 (-3.5A)
 0.30A 4hwkB-1oaaA:
42.2		 4hwkB-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		10 / 12 LEU A 105
SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
MET A 206
GLN A 207
ALA A 210
 OAA  A   1 (-4.0A)
OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.6A)
OAA  A   1 (-3.5A)
 0.29A 4hwkC-1oaaA:
42.2		 4hwkC-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		10 / 11 LEU A 105
SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
MET A 206
GLN A 207
ALA A 210
 OAA  A   1 (-4.0A)
OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.6A)
OAA  A   1 (-3.5A)
 0.28A 4hwkD-1oaaA:
42.3		 4hwkD-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7U_A_YTZA802_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		8 / 10 SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
MET A 206
GLN A 207
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.6A)
 0.29A 4j7uA-1oaaA:
42.0		 4j7uA-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7U_B_YTZB802_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		8 / 10 SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
MET A 206
GLN A 207
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.6A)
 0.29A 4j7uB-1oaaA:
42.1		 4j7uB-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7U_C_YTZC802_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		8 / 10 SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
MET A 206
GLN A 207
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.6A)
 0.28A 4j7uC-1oaaA:
42.1		 4j7uC-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		7 / 8 SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
GLN A 207
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.6A)
 0.29A 4j7uD-1oaaA:
42.1		 4j7uD-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		8 / 12 SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
GLN A 207
ALA A 210
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.6A)
OAA  A   1 (-3.5A)
 0.35A 4j7xA-1oaaA:
42.1		 4j7xA-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		5 / 12 SER A 158
LEU A 159
PRO A 201
GLN A 207
ASP A 216
 OAA  A   1 (-2.5A)
None
None
OAA  A   1 ( 3.6A)
None
 0.97A 4j7xA-1oaaA:
42.1		 4j7xA-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		9 / 12 SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
GLN A 207
ALA A 210
LEU A 223
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.6A)
OAA  A   1 (-3.5A)
None
 0.36A 4j7xB-1oaaA:
42.1		 4j7xB-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		5 / 12 SER A 158
LEU A 159
CYH A 160
TYR A 171
LEU A 219
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
OAA  A   1 ( 4.3A)
None
 1.04A 4j7xB-1oaaA:
42.1		 4j7xB-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		8 / 12 SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
GLN A 207
ASP A 216
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.6A)
None
 0.47A 4j7xF-1oaaA:
42.1		 4j7xF-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		5 / 12 SER A 158
LEU A 159
PRO A 201
GLN A 207
ASP A 216
 OAA  A   1 (-2.5A)
None
None
OAA  A   1 ( 3.6A)
None
 1.02A 4j7xF-1oaaA:
42.1		 4j7xF-1oaaA:
72.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7X_J_SASJ804_1
(SEPIAPTERIN
REDUCTASE)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		9 / 12 LEU A 105
SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
GLN A 207
ASP A 216
 OAA  A   1 (-4.0A)
OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.6A)
None
 0.36A 4j7xJ-1oaaA:
42.3		 4j7xJ-1oaaA:
72.01
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.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		 4tv6 2-DEHYDRO-3-DEOXYGLU
CARATE ALDOLASE
(Staphylococcus
aureus) 		5 / 12 PRO A 215
PHE A  21
LEU A 234
PHE A  40
MET A 149
 None
None
None
None
OAA  A 301 ( 4.2A)
 1.17A 4mubA-4tv6A:
undetectable		 4mubA-4tv6A:
17.28
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.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 2byo LIPOPROTEIN LPPX
(Mycobacterium
tuberculosis) 		3 / 3 PRO A  84
VAL A  62
HIS A  42
 OAA  A1218 (-4.4A)
None
ZN  A1213 ( 2.9A)
 0.84A 4pevC-2byoA:
undetectable		 4pevC-2byoA:
19.45
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3msu CITRATE SYNTHASE
(Francisella
tularensis) 		5 / 12 MET A 204
PHE A 200
ILE A 371
ALA A 220
ALA A 197
 None
None
None
None
OAA  A 430 ( 4.4A)
 1.14A 5oy02-3msuA:
undetectable		 5oy02-3msuA:
10.89
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 12 ASP A 317
ILE A 327
THR A 316
PHE A 160
ALA A  95
 CMC  A 701 (-2.7A)
None
OAA  A 501 ( 4.9A)
None
None
 1.29A 5vcgA-2r26A:
0.0		 5vcgA-2r26A:
22.80
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.
5VYH_A_FOLA409_0
(S PROTEIN)		 3rq1 AMINOTRANSFERASE
CLASS I AND II
(Veillonella
parvula) 		5 / 10 TRP A 133
PRO A 189
ALA A 224
GLY A 108
THR A 109
 OAA  A 422 (-3.9A)
None
None
None
None
 1.22A 5vyhA-3rq1A:
undetectable		 5vyhA-3rq1A:
22.27
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.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 1oaa SEPIAPTERIN
REDUCTASE
(Mus
musculus) 		4 / 6 LEU A 223
GLN A 207
LEU A 209
LEU A 105
 None
OAA  A   1 ( 3.6A)
None
OAA  A   1 (-4.0A)
 1.14A 5yvnA-1oaaA:
undetectable		 5yvnA-1oaaA:
22.83
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.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 2h12 CITRATE SYNTHASE
(Acetobacter
aceti) 		4 / 5 HIS A 237
ARG A 322
PHE A 392
ARG A 396
 OAA  A5007 (-3.9A)
OAA  A5007 (-2.9A)
CMX  A5001 (-4.9A)
OAA  A5007 (-2.9A)
 0.79A 6hxiB-2h12A:
14.5		 6hxiB-2h12A:
21.48
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.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		4 / 5 HIS A 187
ARG A 271
PHE A 340
ARG A 344
 OAA  A 501 (-3.8A)
OAA  A 501 (-3.1A)
OAA  A 501 ( 4.6A)
OAA  A 501 (-2.7A)
 0.68A 6hxiB-2r26A:
15.2		 6hxiB-2r26A:
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.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 4tvm CITRATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 HIS A 232
ARG A 318
PHE A 387
ARG A 391
 OAA  A 501 (-3.9A)
OAA  A 501 (-4.1A)
OAA  A 501 (-4.7A)
OAA  A 501 (-3.1A)
 0.64A 6hxiB-4tvmA:
5.1		 6hxiB-4tvmA:
21.50
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.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL
(Aspergillus
fumigatus) 		4 / 5 HIS A 269
ARG A 360
PHE A 430
ARG A 434
 OAA  A 501 (-3.9A)
OAA  A 501 (-3.0A)
None
OAA  A 501 (-3.0A)
 0.67A 6hxiB-5uqrA:
16.0		 6hxiB-5uqrA:
undetectable
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.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 2h12 CITRATE SYNTHASE
(Acetobacter
aceti) 		5 / 5 HIS A 237
ARG A 322
ASP A 371
PHE A 392
ARG A 396
 OAA  A5007 (-3.9A)
OAA  A5007 (-2.9A)
CMX  A5001 (-2.8A)
CMX  A5001 (-4.9A)
OAA  A5007 (-2.9A)
 0.77A 6hxiD-2h12A:
16.1		 6hxiD-2h12A:
21.48
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.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 5 HIS A 187
ARG A 271
ASP A 317
PHE A 340
ARG A 344
 OAA  A 501 (-3.8A)
OAA  A 501 (-3.1A)
CMC  A 701 (-2.7A)
OAA  A 501 ( 4.6A)
OAA  A 501 (-2.7A)
 0.70A 6hxiD-2r26A:
16.8		 6hxiD-2r26A:
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.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 4tvm CITRATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 HIS A 232
ARG A 318
PHE A 387
ARG A 391
 OAA  A 501 (-3.9A)
OAA  A 501 (-4.1A)
OAA  A 501 (-4.7A)
OAA  A 501 (-3.1A)
 0.65A 6hxiD-4tvmA:
4.7		 6hxiD-4tvmA:
21.50
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.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL
(Aspergillus
fumigatus) 		5 / 5 HIS A 269
ARG A 360
ASP A 408
PHE A 430
ARG A 434
 OAA  A 501 (-3.9A)
OAA  A 501 (-3.0A)
None
None
OAA  A 501 (-3.0A)
 0.64A 6hxiD-5uqrA:
17.2		 6hxiD-5uqrA:
undetectable