SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3d46'

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.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 7 LEU A 384
LEU A 154
LYS A 158
TYR A 157
None
1.06A 1gtiD-3d46A:
undetectable
1gtiD-3d46A:
19.80
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.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 11 ILE A 137
GLY A 307
THR A 311
HIS A 116
GLY A 283
None
1.40A 1i7qA-3d46A:
undetectable
1i7qA-3d46A:
20.56
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.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 10 ILE A 137
GLY A 307
THR A 311
HIS A 116
GLY A 283
None
1.40A 1i7qC-3d46A:
undetectable
1i7qC-3d46A:
20.56
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.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 10 ILE A 137
GLY A 308
THR A 311
HIS A 116
GLY A 283
None
1.49A 1i7qC-3d46A:
undetectable
1i7qC-3d46A:
20.56
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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 8 ASP A 146
PHE A  83
LEU A 368
GLY A 390
None
1.00A 1rmtC-3d46A:
undetectable
1rmtC-3d46A:
16.46
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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 8 TYR A 126
THR A 136
LEU A  67
MET A  91
None
1.45A 1uw6A-3d46A:
undetectable
1uw6B-3d46A:
undetectable
1uw6A-3d46A:
18.58
1uw6B-3d46A:
18.58
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.
1UW6_D_NCTD1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 8 TYR A 126
THR A 136
LEU A  67
MET A  91
None
1.46A 1uw6D-3d46A:
undetectable
1uw6E-3d46A:
undetectable
1uw6D-3d46A:
18.58
1uw6E-3d46A:
18.58
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.
1UW6_G_NCTG1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 8 TYR A 126
THR A 136
LEU A  67
MET A  91
None
1.45A 1uw6G-3d46A:
undetectable
1uw6H-3d46A:
undetectable
1uw6G-3d46A:
18.58
1uw6H-3d46A:
18.58
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.
1UW6_P_NCTP1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 8 TYR A 126
THR A 136
LEU A  67
MET A  91
None
1.44A 1uw6P-3d46A:
undetectable
1uw6Q-3d46A:
undetectable
1uw6P-3d46A:
18.58
1uw6Q-3d46A:
18.58
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.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 8 LEU A  67
MET A  91
TYR A 126
THR A 136
None
1.43A 1uw6P-3d46A:
undetectable
1uw6T-3d46A:
undetectable
1uw6P-3d46A:
18.58
1uw6T-3d46A:
18.58
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.
1WRL_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 6 PHE A 389
VAL A 156
LEU A 160
SER A 348
None
1.05A 1wrlB-3d46A:
undetectable
1wrlB-3d46A:
13.13
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.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 LEU A 368
ILE A 367
GLY A  30
ASP A 302
GLY A 330
None
0.95A 1zz1C-3d46A:
undetectable
1zz1C-3d46A:
25.29
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.
2F78_B_BEZB1004_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 7 VAL A 140
PHE A 103
HIS A  99
THR A 123
None
1.16A 2f78B-3d46A:
undetectable
2f78B-3d46A:
20.78
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.
2F80_B_017B301_2
(POL POLYPROTEIN)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 GLY A  89
ALA A  88
ASN A 135
GLY A  30
ILE A 367
None
0.99A 2f80B-3d46A:
undetectable
2f80B-3d46A:
11.90
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.
2R6V_A_NCAA174_0
(UNCHARACTERIZED
PROTEIN PH0856)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 6 HIS A 197
ASP A 206
TRP A 194
HIS A  44
None
1.39A 2r6vA-3d46A:
0.0
2r6vA-3d46A:
18.89
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.
3FPJ_B_SAMB301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 TYR A 334
VAL A 109
GLU A 105
ILE A 104
ARG A  79
None
1.23A 3fpjB-3d46A:
undetectable
3fpjB-3d46A:
22.54
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.
3HCP_B_CHDB4_0
(FERROCHELATASE,
MITOCHONDRIAL)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
3 / 3 GLY A 304
PRO A 301
LEU A 312
None
0.47A 3hcpB-3d46A:
undetectable
3hcpB-3d46A:
23.04
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 5 TYR A  32
GLN A 363
ILE A 379
PHE A 364
None
1.08A 3ls4L-3d46A:
undetectable
3ls4L-3d46A:
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 ILE A 137
SER A 138
GLY A 308
THR A 311
HIS A 116
None
1.39A 3r75A-3d46A:
undetectable
3r75A-3d46A:
20.28
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.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 ILE A 137
SER A 138
GLY A 308
THR A 311
HIS A 116
None
1.38A 3r75B-3d46A:
undetectable
3r75B-3d46A:
20.28
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.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 11 ILE A 137
SER A 138
GLY A 308
THR A 311
HIS A 116
None
1.36A 3r76A-3d46A:
undetectable
3r76A-3d46A:
20.28
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.
3R76_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 11 ILE A 137
SER A 138
GLY A 308
THR A 311
HIS A 116
None
1.37A 3r76B-3d46A:
undetectable
3r76B-3d46A:
20.28
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 6 THR A  87
ASN A 135
GLY A 304
ASP A 302
None
1.02A 3w9tE-3d46A:
undetectable
3w9tE-3d46A:
21.35
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 6 THR A  87
ASN A 135
GLY A 304
ASP A 302
None
1.02A 3w9tF-3d46A:
undetectable
3w9tF-3d46A:
21.35
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.
4A6E_A_SAMA1349_1
(HYDROXYINDOLE
O-METHYLTRANSFERASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
3 / 3 TYR A 235
ASP A 206
ASP A 226
None
None
MG  A 501 ( 2.5A)
0.78A 4a6eA-3d46A:
undetectable
4a6eA-3d46A:
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.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 7 ASN A 135
GLY A 307
THR A 311
ILE A 315
PHE A 288
None
1.28A 4ejjA-3d46A:
undetectable
4ejjA-3d46A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 7 PHE A 389
GLY A 308
THR A 310
ILE A 112
None
0.79A 4ejjA-3d46A:
undetectable
4ejjA-3d46A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 7 PHE A 389
GLY A 308
THR A 310
ILE A 112
None
0.81A 4ejjD-3d46A:
undetectable
4ejjD-3d46A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EQL_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 7 THR A 123
ILE A 137
THR A 284
GLY A 130
None
0.96A 4eqlA-3d46A:
undetectable
4eqlA-3d46A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 ALA A  23
ILE A 367
PRO A 366
ASN A 394
LEU A 393
None
1.07A 4gh8A-3d46A:
undetectable
4gh8A-3d46A:
18.20
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.
4KN2_A_LYAA304_1
(FOLATE RECEPTOR BETA)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 THR A 173
SER A  58
ARG A  59
HIS A  33
GLY A  26
TLA  A 502 (-3.6A)
None
TLA  A 502 (-2.6A)
TLA  A 502 (-3.8A)
None
1.41A 4kn2A-3d46A:
undetectable
4kn2A-3d46A:
17.93
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.
4KN2_C_LYAC304_1
(FOLATE RECEPTOR BETA)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 THR A 173
SER A  58
ARG A  59
HIS A  33
GLY A  26
TLA  A 502 (-3.6A)
None
TLA  A 502 (-2.6A)
TLA  A 502 (-3.8A)
None
1.41A 4kn2C-3d46A:
undetectable
4kn2C-3d46A:
17.93
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.
4L39_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 7 THR A 123
ILE A 137
THR A 284
GLY A 130
None
0.91A 4l39B-3d46A:
undetectable
4l39B-3d46A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 GLY A 187
GLY A 188
PHE A 170
ALA A 180
ASN A 376
None
1.04A 4rtmA-3d46A:
undetectable
4rtmA-3d46A:
19.48
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
3 / 3 SER A  50
GLU A 253
GLU A 349
None
None
TLA  A 502 (-2.8A)
0.68A 4ymgB-3d46A:
undetectable
4ymgB-3d46A:
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.
4ZME_A_ADNA1002_1
(MYOSIN HEAVY CHAIN
KINASE A)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 11 PHE A 347
GLY A 188
VAL A 327
LEU A 325
THR A 277
None
1.16A 4zmeA-3d46A:
undetectable
4zmeA-3d46A:
19.02
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.
5A06_D_SORD1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 6 CYH A 397
GLU A  24
GLY A  26
GLY A  28
ASP A  34
None
1.43A 5a06D-3d46A:
undetectable
5a06D-3d46A:
20.28
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 GLY A 174
LEU A 179
ILE A  41
HIS A  39
THR A 173
None
None
None
None
TLA  A 502 (-3.6A)
1.03A 5d4uA-3d46A:
undetectable
5d4uA-3d46A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 GLY A 174
LEU A 179
ILE A  41
HIS A  39
THR A 173
None
None
None
None
TLA  A 502 (-3.6A)
1.02A 5d4uB-3d46A:
undetectable
5d4uB-3d46A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 GLY A 174
LEU A 179
ILE A  41
HIS A  39
THR A 173
None
None
None
None
TLA  A 502 (-3.6A)
1.03A 5d4uC-3d46A:
undetectable
5d4uC-3d46A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L6E_B_ACTB401_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 6 GLU A 293
LEU A 318
ARG A 322
ARG A 289
None
1.29A 5l6eA-3d46A:
undetectable
5l6eB-3d46A:
undetectable
5l6eA-3d46A:
20.31
5l6eB-3d46A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIW_A_OAQA302_0
(SULFOTRANSFERASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 PRO A   8
ILE A 112
VAL A 152
VAL A 151
LEU A 160
None
0.86A 5tiwA-3d46A:
undetectable
5tiwA-3d46A:
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.
5UXD_B_ZITB501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 ILE A 112
ASP A 117
LEU A 160
VAL A 156
GLU A 314
None
0.92A 5uxdB-3d46A:
undetectable
5uxdB-3d46A:
19.95
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.
5UXD_B_ZITB501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
5 / 12 ILE A 112
LEU A 160
VAL A 156
GLU A 314
GLY A 283
None
1.00A 5uxdB-3d46A:
undetectable
5uxdB-3d46A:
19.95
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
4 / 8 GLU A 253
THR A  47
PRO A  48
ILE A  64
None
1.09A 6a4iA-3d46A:
undetectable
6a4iA-3d46A:
21.60
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.
6DGX_A_017A101_2
(PROTEASE)
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica)
3 / 3 GLY A  36
ASP A  34
ILE A  64
None
0.54A 6dgxB-3d46A:
undetectable
6dgxB-3d46A:
10.05