SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3epm'

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.
1FDU_B_ESTB354_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 8 SER A 268
VAL A 269
PRO A  58
VAL A 490
 None
 1.07A 1fduB-3epmA:
2.7		 1fduB-3epmA:
20.52
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.
1GTF_A_TRPA81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.48A 1gtfA-3epmA:
undetectable
1gtfK-3epmA:
undetectable		 1gtfA-3epmA:
8.85
1gtfK-3epmA:
8.85
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.
1GTF_C_TRPC81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.48A 1gtfB-3epmA:
undetectable
1gtfC-3epmA:
undetectable		 1gtfB-3epmA:
8.85
1gtfC-3epmA:
8.85
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.
1GTF_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 1gtfF-3epmA:
undetectable
1gtfG-3epmA:
undetectable		 1gtfF-3epmA:
8.85
1gtfG-3epmA:
8.85
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.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 THR A 400
GLY A 397
GLY A 373
LEU A 372
GLY A 315
 None
 1.34A 1jhyA-3epmA:
undetectable		 1jhyA-3epmA:
20.75
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.
1L4N_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 THR A 400
GLY A 397
GLY A 373
LEU A 372
GLY A 315
 None
 1.34A 1l4nA-3epmA:
3.3		 1l4nA-3epmA:
20.75
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.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 6 ARG A 265
TYR A 309
ASN A 217
GLU A 202
 None
 1.09A 1rjdA-3epmA:
undetectable		 1rjdA-3epmA:
19.87
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.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 6 ARG A 265
TYR A 309
ASN A 217
GLU A 202
 None
 1.10A 1rjdB-3epmA:
undetectable		 1rjdB-3epmA:
19.87
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.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 6 ARG A 265
TYR A 309
ASN A 217
GLU A 202
 None
 1.09A 1rjdC-3epmA:
undetectable		 1rjdC-3epmA:
19.87
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.
1USQ_F_CLMF1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 7 PRO A  38
GLY A  60
PRO A  61
ILE A  67
TYR A  26
 None
 1.36A 1usqF-3epmA:
undetectable		 1usqF-3epmA:
15.55
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.
1UTD_G_TRPG81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.47A 1utdG-3epmA:
undetectable
1utdH-3epmA:
undetectable		 1utdG-3epmA:
8.85
1utdH-3epmA:
8.85
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.
1YAJ_B_BEZB12_0
(CES1 PROTEIN)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 4 GLY A  60
SER A  63
VAL A 237
LEU A  75
 None
 1.28A 1yajB-3epmA:
undetectable		 1yajB-3epmA:
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.
2ACL_G_REAG501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 ILE A 216
ALA A 501
ALA A 500
LEU A 499
ILE A 495
 None
 0.97A 2aclG-3epmA:
undetectable		 2aclG-3epmA:
18.00
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.
2HMY_B_SAMB328_0
(PROTEIN
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI))		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 GLY A 373
GLY A 375
ILE A 359
PRO A 275
LEU A 299
 None
 0.94A 2hmyB-3epmA:
undetectable		 2hmyB-3epmA:
19.77
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.
2QEB_B_HSMB145_1
(D7R4 PROTEIN)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ILE A 141
ARG A  86
ASP A 367
GLU A 145
 None
 1.13A 2qebB-3epmA:
undetectable		 2qebB-3epmA:
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.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 PHE A 439
GLU A 429
LEU A 396
GLY A 397
TYR A 353
 None
 1.41A 2tsrC-3epmA:
undetectable		 2tsrC-3epmA:
19.06
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.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 VAL A  83
ILE A 194
LEU A 203
SER A 369
ILE A 198
 None
 1.06A 2w3vA-3epmA:
undetectable		 2w3vA-3epmA:
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.
2Y7W_B_SALB1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 THR A 470
GLY A 466
PHE A 468
THR A 441
ILE A 423
 None
 1.35A 2y7wB-3epmA:
undetectable		 2y7wB-3epmA:
17.65
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.
2YJA_B_ESTB1550_1
(ESTROGEN RECEPTOR)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 ALA A 462
LEU A 473
LEU A 442
GLY A 493
HIS A 455
 None
 1.01A 2yjaB-3epmA:
undetectable		 2yjaB-3epmA:
15.80
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.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 ILE A 193
ASN A 219
MET A 248
ALA A 196
VAL A 149
 None
 1.01A 3a51E-3epmA:
undetectable		 3a51E-3epmA:
21.90
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.
3GWX_A_EPAA1_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 THR A 246
LEU A 203
ILE A 193
ILE A 194
MET A 411
 None
 1.04A 3gwxA-3epmA:
undetectable		 3gwxA-3epmA:
17.73
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.
3OLS_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 ALA A 462
LEU A 473
LEU A 442
GLY A 493
HIS A 455
 None
 1.05A 3olsA-3epmA:
undetectable		 3olsA-3epmA:
17.21
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.
3PS9_A_SAMA670_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 PHE A 356
GLY A 373
PHE A 370
ILE A 412
GLY A 315
 None
 1.25A 3ps9A-3epmA:
undetectable		 3ps9A-3epmA:
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.
3WRK_D_CAMD502_0
(CAMPHOR
5-MONOOXYGENASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 5 LEU A 393
GLY A 397
THR A 400
VAL A 410
 None
 1.06A 3wrkD-3epmA:
undetectable		 3wrkD-3epmA:
20.48
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.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 LEU A 393
LEU A 396
GLY A 397
THR A 400
VAL A 410
 None
 0.84A 4c9oA-3epmA:
undetectable		 4c9oA-3epmA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 LEU A 393
LEU A 396
GLY A 397
THR A 400
VAL A 410
 None
 0.87A 4c9oB-3epmA:
undetectable		 4c9oB-3epmA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KQI_A_NIOA403_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 THR A 400
GLY A 397
GLY A 373
LEU A 372
GLY A 315
 None
 1.28A 4kqiA-3epmA:
3.0		 4kqiA-3epmA:
20.62
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.
4LAJ_B_ACAB512_1
(HIV-1 YU2 GP120
ENVELOPE
GLYCOPROTEIN)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 6 GLY A 167
ASP A 505
PRO A 511
ARG A 165
 None
 1.19A 4lajA-3epmA:
undetectable
4lajB-3epmA:
undetectable		 4lajA-3epmA:
21.27
4lajB-3epmA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJG_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 GLU A  50
GLU A 530
ASN A 534
VAL A  53
ASP A 518
 None
 1.31A 4njgA-3epmA:
2.4		 4njgA-3epmA:
17.75
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.
4NPT_A_017A401_1
(PROTEASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 ALA A 504
ILE A 465
ILE A 460
ILE A 216
VAL A 214
 None
 0.98A 4nptA-3epmA:
undetectable		 4nptA-3epmA:
10.33
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		3 / 3 SER A  22
ALA A  43
VAL A  44
 None
 0.55A 4o2bA-3epmA:
undetectable		 4o2bA-3epmA:
23.08
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.
4O2B_D_LOCD503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		3 / 3 SER A  22
ALA A  43
VAL A  44
 None
 0.65A 4o2bC-3epmA:
undetectable		 4o2bC-3epmA:
23.08
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.
4PXM_A_ESTA2000_1
(ESTROGEN RECEPTOR)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 ALA A 462
LEU A 473
LEU A 442
GLY A 493
HIS A 455
 None
 1.02A 4pxmA-3epmA:
undetectable		 4pxmA-3epmA:
16.39
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.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.75A 5bs8A-3epmA:
undetectable
5bs8C-3epmA:
undetectable
5bs8D-3epmA:
2.1		 5bs8A-3epmA:
22.77
5bs8C-3epmA:
22.77
5bs8D-3epmA:
18.31
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.
5BS8_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.73A 5bs8A-3epmA:
undetectable
5bs8B-3epmA:
2.0
5bs8C-3epmA:
undetectable		 5bs8A-3epmA:
22.77
5bs8B-3epmA:
18.31
5bs8C-3epmA:
22.77
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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.77A 5btaA-3epmA:
undetectable
5btaC-3epmA:
undetectable
5btaD-3epmA:
undetectable		 5btaA-3epmA:
22.77
5btaC-3epmA:
22.77
5btaD-3epmA:
18.31
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.74A 5btdA-3epmA:
undetectable
5btdB-3epmA:
1.9
5btdC-3epmA:
undetectable		 5btdA-3epmA:
22.77
5btdB-3epmA:
18.31
5btdC-3epmA:
22.77
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.74A 5btdA-3epmA:
undetectable
5btdC-3epmA:
undetectable
5btdD-3epmA:
2.1		 5btdA-3epmA:
22.77
5btdC-3epmA:
22.77
5btdD-3epmA:
18.31
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.69A 5btfA-3epmA:
undetectable
5btfB-3epmA:
undetectable
5btfC-3epmA:
undetectable		 5btfA-3epmA:
22.77
5btfB-3epmA:
18.31
5btfC-3epmA:
22.77
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.75A 5btfA-3epmA:
undetectable
5btfC-3epmA:
undetectable
5btfD-3epmA:
2.2		 5btfA-3epmA:
22.77
5btfC-3epmA:
22.77
5btfD-3epmA:
18.31
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.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ALA A 112
ASP A 117
ARG A 265
GLU A 202
 None
 0.90A 5btgA-3epmA:
undetectable
5btgC-3epmA:
undetectable
5btgD-3epmA:
undetectable		 5btgA-3epmA:
22.77
5btgC-3epmA:
22.77
5btgD-3epmA:
18.31
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.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.83A 5btgA-3epmA:
undetectable
5btgC-3epmA:
undetectable
5btgD-3epmA:
undetectable		 5btgA-3epmA:
22.77
5btgC-3epmA:
22.77
5btgD-3epmA:
18.31
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.
5DXB_B_ESTB601_1
(ESTROGEN RECEPTOR)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 11 ALA A 462
LEU A 473
LEU A 442
GLY A 493
HIS A 455
 None
 0.97A 5dxbB-3epmA:
undetectable		 5dxbB-3epmA:
16.10
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.
5DXG_B_ESTB601_1
(ESTROGEN RECEPTOR)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 11 ALA A 462
LEU A 473
LEU A 442
GLY A 493
HIS A 455
 None
 1.00A 5dxgB-3epmA:
undetectable		 5dxgB-3epmA:
16.10
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.
5EEU_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.50A 5eeuA-3epmA:
undetectable
5eeuB-3epmA:
undetectable		 5eeuA-3epmA:
8.85
5eeuB-3epmA:
8.85
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.
5EEU_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5eeuC-3epmA:
undetectable
5eeuD-3epmA:
undetectable		 5eeuC-3epmA:
8.85
5eeuD-3epmA:
8.85
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.
5EEU_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5eeuG-3epmA:
undetectable
5eeuH-3epmA:
undetectable		 5eeuG-3epmA:
8.85
5eeuH-3epmA:
8.85
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.
5EEV_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5eevC-3epmA:
undetectable
5eevD-3epmA:
undetectable		 5eevC-3epmA:
8.85
5eevD-3epmA:
8.85
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.
5EEV_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5eevG-3epmA:
undetectable
5eevH-3epmA:
undetectable		 5eevG-3epmA:
8.85
5eevH-3epmA:
8.85
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.
5EEW_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5eewC-3epmA:
undetectable
5eewD-3epmA:
undetectable		 5eewC-3epmA:
8.85
5eewD-3epmA:
8.85
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.
5EEW_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5eewG-3epmA:
undetectable
5eewH-3epmA:
undetectable		 5eewG-3epmA:
8.85
5eewH-3epmA:
8.85
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.
5EEX_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5eexC-3epmA:
undetectable
5eexD-3epmA:
undetectable		 5eexC-3epmA:
8.85
5eexD-3epmA:
8.85
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.
5EEX_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5eexG-3epmA:
undetectable
5eexH-3epmA:
undetectable		 5eexG-3epmA:
8.85
5eexH-3epmA:
8.85
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.
5EEY_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5eeyC-3epmA:
undetectable
5eeyD-3epmA:
undetectable		 5eeyC-3epmA:
8.85
5eeyD-3epmA:
8.85
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.
5EEY_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5eeyG-3epmA:
undetectable
5eeyH-3epmA:
undetectable		 5eeyG-3epmA:
8.85
5eeyH-3epmA:
8.85
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.
5EEY_K_TRPK101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.50A 5eeyA-3epmA:
undetectable
5eeyK-3epmA:
undetectable		 5eeyA-3epmA:
8.85
5eeyK-3epmA:
8.85
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.
5EEZ_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5eezC-3epmA:
undetectable
5eezD-3epmA:
undetectable		 5eezC-3epmA:
8.85
5eezD-3epmA:
8.85
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.
5EEZ_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5eezG-3epmA:
undetectable
5eezH-3epmA:
undetectable		 5eezG-3epmA:
8.85
5eezH-3epmA:
8.85
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.
5EF0_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5ef0C-3epmA:
undetectable
5ef0D-3epmA:
undetectable		 5ef0C-3epmA:
8.85
5ef0D-3epmA:
8.85
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.
5EF0_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5ef0G-3epmA:
undetectable
5ef0H-3epmA:
undetectable		 5ef0G-3epmA:
8.85
5ef0H-3epmA:
8.85
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.
5EF1_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5ef1C-3epmA:
undetectable
5ef1D-3epmA:
undetectable		 5ef1C-3epmA:
8.85
5ef1D-3epmA:
8.85
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.
5EF1_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5ef1G-3epmA:
undetectable
5ef1H-3epmA:
undetectable		 5ef1G-3epmA:
8.85
5ef1H-3epmA:
8.85
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.
5EF1_K_TRPK101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.50A 5ef1A-3epmA:
undetectable
5ef1K-3epmA:
undetectable		 5ef1A-3epmA:
8.85
5ef1K-3epmA:
8.85
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.
5EF2_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5ef2C-3epmA:
undetectable
5ef2D-3epmA:
undetectable		 5ef2C-3epmA:
8.85
5ef2D-3epmA:
8.85
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.
5EF2_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5ef2G-3epmA:
undetectable
5ef2H-3epmA:
undetectable		 5ef2G-3epmA:
8.85
5ef2H-3epmA:
8.85
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.
5EF3_C_TRPC101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 9 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.49A 5ef3C-3epmA:
undetectable
5ef3D-3epmA:
undetectable		 5ef3C-3epmA:
8.85
5ef3D-3epmA:
8.85
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.
5EF3_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 GLY A 461
THR A 447
HIS A 417
THR A 446
ILE A 460
 None
None
ZN  A 613 (-3.4A)
None
None
 1.46A 5ef3G-3epmA:
undetectable
5ef3H-3epmA:
undetectable		 5ef3G-3epmA:
8.85
5ef3H-3epmA:
8.85
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 ILE A 271
GLY A 272
HIS A 200
GLU A 204
MET A 472
 None
 1.33A 5igwA-3epmA:
undetectable		 5igwA-3epmA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JS5_A_ASCA202_0
(CYTOCHROME C')		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		3 / 3 CYH A 343
LYS A 348
HIS A 346
 None
 0.98A 5js5A-3epmA:
undetectable		 5js5A-3epmA:
12.63
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.
5ODI_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		3 / 3 HIS A 346
GLU A 288
TRP A 342
 None
 1.26A 5odiD-3epmA:
undetectable		 5odiD-3epmA:
11.58
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.
5ODR_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		3 / 3 HIS A 346
GLU A 288
TRP A 342
 None
 1.22A 5odrD-3epmA:
undetectable		 5odrD-3epmA:
11.58
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 VAL A 237
VAL A 269
PRO A  58
GLY A  60
 None
 1.01A 5x80C-3epmA:
undetectable
5x80D-3epmA:
undetectable		 5x80C-3epmA:
14.66
5x80D-3epmA:
14.66
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.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 VAL A 418
PRO A 378
GLU A 392
ARG A 377
THR A 311
 None
None
None
HMH  A1001 (-4.6A)
None
 1.43A 5xipD-3epmA:
undetectable		 5xipD-3epmA:
21.79
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)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 12 LEU A 537
THR A  54
ILE A  55
LEU A 155
ASP A 505
 None
 1.26A 6ie8A-3epmA:
undetectable		 6ie8A-3epmA:
17.25
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.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 5 GLY A 272
HIS A 200
SER A 268
SER A 267
 None
 1.06A 6jmjA-3epmA:
undetectable		 6jmjA-3epmA:
15.04
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.
6MN4_F_AM2F301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 ARG A 377
HIS A 417
ASP A 374
GLU A 413
 HMH  A1001 (-4.6A)
ZN  A 613 (-3.4A)
None
None
 1.35A 6mn4F-3epmA:
undetectable		 6mn4F-3epmA:
19.74
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.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		4 / 7 GLY A 493
TYR A 497
HIS A 481
GLY A 443
 None
None
ZN  A 613 (-3.7A)
None
 0.74A 6n7fA-3epmA:
undetectable		 6n7fA-3epmA:
9.52
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.
6NCS_A_ACTA303_0
(N-ACETYLNEURAMINIC
ACID (SIALIC ACID)
SYNTHETASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		3 / 3 ILE A 142
THR A 143
PRO A 180
 None
 0.50A 6ncsA-3epmA:
15.4		 6ncsA-3epmA:
19.71
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.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		5 / 10 PHE A 310
ILE A 312
ASN A 350
LEU A 372
GLY A 373
 None
 1.42A 6r2eB-3epmA:
undetectable		 6r2eB-3epmA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC
(Caulobacter
vibrioides) 		3 / 3 ASP A 531
LEU A 535
ARG A  40
 None
 0.78A 7dfrA-3epmA:
undetectable		 7dfrA-3epmA:
15.85