SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3k28'

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.
1C6Y_B_MK1B524_1
(PROTEIN (PROTEASE))		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 11 ALA A 125
ILE A 285
GLY A 281
ILE A 109
ILE A 238
 None
None
None
CA  A 430 (-4.9A)
None
 0.92A 1c6yA-3k28A:
undetectable		 1c6yA-3k28A:
12.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 SER A 375
PHE A 361
LEU A 402
LEU A 394
MET A 387
 None
 1.26A 1e7wA-3k28A:
undetectable		 1e7wA-3k28A:
22.15
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.
1MUI_B_AB1B100_2
(PROTEASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 ALA A 125
ILE A 285
GLY A 281
ILE A 109
ILE A 238
 None
None
None
CA  A 430 (-4.9A)
None
 0.81A 1muiB-3k28A:
undetectable		 1muiB-3k28A:
13.08
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.
1P33_A_MTXA351_1
(PTERIDINE REDUCTASE
1)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 SER A 375
PHE A 361
LEU A 402
LEU A 394
MET A 387
 None
 1.36A 1p33A-3k28A:
3.0		 1p33A-3k28A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P33_B_MTXB352_1
(PTERIDINE REDUCTASE
1)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 SER A 375
PHE A 361
LEU A 402
LEU A 394
MET A 387
 None
 1.42A 1p33B-3k28A:
undetectable		 1p33B-3k28A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P33_C_MTXC353_1
(PTERIDINE REDUCTASE
1)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 SER A 375
PHE A 361
LEU A 402
LEU A 394
MET A 387
 None
 1.39A 1p33C-3k28A:
3.1		 1p33C-3k28A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 10 ALA A 125
ILE A 285
GLY A 281
ILE A 109
ILE A 238
 None
None
None
CA  A 430 (-4.9A)
None
 0.96A 1sdvA-3k28A:
undetectable		 1sdvA-3k28A:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_A_MK1A901_2
(POL POLYPROTEIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		3 / 3 ASP A  51
VAL A 388
PRO A 396
 None
 0.80A 2avvA-3k28A:
undetectable		 2avvA-3k28A:
13.90
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.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 SER A 375
PHE A 361
LEU A 402
LEU A 394
 None
 0.97A 2bfpA-3k28A:
undetectable		 2bfpA-3k28A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BFP_B_H4BB1290_1
(PTERIDINE REDUCTASE
1)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 SER A 375
PHE A 361
LEU A 402
LEU A 394
 None
 0.97A 2bfpB-3k28A:
undetectable		 2bfpB-3k28A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXM_A_IMNA2002_1
(SERUM ALBUMIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 11 LEU A  60
ILE A  66
LEU A 318
PHE A 246
GLY A 245
 None
 1.08A 2bxmA-3k28A:
undetectable		 2bxmA-3k28A:
20.54
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.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 TYR A 184
GLU A 241
TYR A 257
GLY A 253
 None
 1.08A 2ha4A-3k28A:
undetectable		 2ha4A-3k28A:
21.49
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.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 7 TYR A 184
GLU A 241
TYR A 257
GLY A 253
 None
 1.05A 2ha4B-3k28A:
undetectable		 2ha4B-3k28A:
21.49
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.
2I30_A_SALA1100_1
(SERUM ALBUMIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 6 HIS A 349
PHE A 360
ARG A 352
GLY A 358
 None
 1.37A 2i30A-3k28A:
undetectable		 2i30A-3k28A:
20.54
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.
2O4S_A_AB1A400_2
(PROTEASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 ALA A 125
ILE A 285
GLY A 281
ILE A 109
ILE A 238
 None
None
None
CA  A 430 (-4.9A)
None
 0.96A 2o4sB-3k28A:
undetectable		 2o4sB-3k28A:
13.08
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.
2Q64_B_1UNB1001_1
(PROTEASE RETROPEPSIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 ALA A 125
ILE A 285
GLY A 281
ILE A 109
ILE A 238
 None
None
None
CA  A 430 (-4.9A)
None
 0.85A 2q64A-3k28A:
undetectable		 2q64A-3k28A:
13.08
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.
2Q72_A_IXXA801_1
(TRANSPORTER)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 11 LEU A 223
LEU A 226
ARG A 227
VAL A 229
ASP A 262
 None
 1.19A 2q72A-3k28A:
undetectable		 2q72A-3k28A:
22.95
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.
2QEI_A_CXXA801_1
(TRANSPORTER)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 11 LEU A 223
LEU A 226
ARG A 227
VAL A 229
ASP A 262
 None
 1.21A 2qeiA-3k28A:
undetectable		 2qeiA-3k28A:
22.95
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.
2R5Q_B_1UNB900_2
(PROTEASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 11 ALA A 125
ILE A 285
GLY A 281
ILE A 109
ILE A 238
 None
None
None
CA  A 430 (-4.9A)
None
 0.89A 2r5qB-3k28A:
undetectable		 2r5qB-3k28A:
14.45
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.
2R5Q_D_1UND900_2
(PROTEASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 10 ALA A 125
ILE A 285
GLY A 281
ILE A 109
ILE A 238
 None
None
None
CA  A 430 (-4.9A)
None
 0.88A 2r5qD-3k28A:
undetectable		 2r5qD-3k28A:
14.45
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.
2Y7K_B_SALB1305_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 5 ARG A 247
PRO A  64
GLY A  63
TRP A  62
 None
 1.35A 2y7kB-3k28A:
undetectable		 2y7kB-3k28A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 6 MET A 114
VAL A 112
ILE A 270
ILE A 109
 None
None
None
CA  A 430 (-4.9A)
 0.90A 3gcsA-3k28A:
undetectable		 3gcsA-3k28A:
22.44
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.
3IV6_C_SAMC301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 GLY A 401
PHE A 380
SER A 397
ILE A 359
LEU A 402
 None
 1.35A 3iv6C-3k28A:
undetectable		 3iv6C-3k28A:
21.44
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		3 / 3 SER A 117
GLY A 118
THR A 119
 PLP  A 900 (-4.0A)
PLP  A 900 (-3.3A)
PLP  A 900 (-3.7A)
 0.14A 3k9wA-3k28A:
undetectable		 3k9wA-3k28A:
19.35
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.
3KO0_B_TFPB202_2
(PROTEIN S100-A4)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 6 LEU A 152
SER A 151
ILE A 205
CYH A 203
 None
 0.87A 3ko0B-3k28A:
undetectable		 3ko0B-3k28A:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 GLY A 253
CYH A 144
MET A 213
PHE A 360
 None
 0.86A 3ko0D-3k28A:
undetectable
3ko0E-3k28A:
undetectable		 3ko0D-3k28A:
12.53
3ko0E-3k28A:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 GLY A 253
CYH A 144
MET A 213
PHE A 360
 None
 0.78A 3ko0B-3k28A:
undetectable
3ko0J-3k28A:
undetectable		 3ko0B-3k28A:
12.53
3ko0J-3k28A:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_S_TFPS202_1
(PROTEIN S100-A4)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 6 LEU A 152
SER A 151
ILE A 205
CYH A 203
 None
 0.92A 3ko0S-3k28A:
undetectable		 3ko0S-3k28A:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLY_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 PHE A 222
GLU A 188
SER A 189
VAL A 182
 None
 1.38A 3nlyA-3k28A:
undetectable
3nlyB-3k28A:
undetectable		 3nlyA-3k28A:
21.01
3nlyB-3k28A:
21.01
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.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 11 ALA A 125
ILE A 285
GLY A 281
ILE A 109
PRO A 261
 None
None
None
CA  A 430 (-4.9A)
None
 0.97A 3spkA-3k28A:
undetectable		 3spkA-3k28A:
13.29
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.
4B7Q_A_ZMRA601_2
(NEURAMINIDASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		3 / 3 ARG A 130
ARG A 127
ILE A 138
 None
 0.75A 4b7qA-3k28A:
undetectable		 4b7qA-3k28A:
20.80
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.
4B7Q_C_ZMRC601_2
(NEURAMINIDASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		3 / 3 ARG A 130
ARG A 127
ILE A 138
 None
 0.84A 4b7qC-3k28A:
undetectable		 4b7qC-3k28A:
20.80
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.
4CAP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 PHE A 222
GLU A 188
SER A 189
VAL A 182
 None
 1.38A 4capA-3k28A:
undetectable
4capB-3k28A:
undetectable		 4capA-3k28A:
21.01
4capB-3k28A:
21.01
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.
4D32_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 PHE A 222
GLU A 188
SER A 189
VAL A 182
 None
 1.37A 4d32A-3k28A:
undetectable
4d32B-3k28A:
undetectable		 4d32A-3k28A:
21.01
4d32B-3k28A:
21.01
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.
4EM2_A_SALA502_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 LEU A 315
VAL A 102
VAL A 106
GLN A 254
 None
 0.82A 4em2A-3k28A:
undetectable		 4em2A-3k28A:
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.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 GLY A 358
GLY A 401
LEU A 394
ILE A 350
LEU A 333
 None
 1.14A 4fr0A-3k28A:
undetectable		 4fr0A-3k28A:
23.31
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.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		6 / 12 ILE A 350
ALA A 335
ASP A 410
ARG A 328
LEU A 404
ILE A 357
 None
 1.48A 4m2xE-3k28A:
undetectable		 4m2xE-3k28A:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 SER A 117
THR A 122
SER A 124
TYR A 279
GLY A 147
 PLP  A 900 (-4.0A)
PLP  A 900 ( 4.8A)
None
None
PLP  A 900 (-3.8A)
 1.18A 4qb9E-3k28A:
undetectable		 4qb9E-3k28A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 SER A 117
THR A 122
SER A 124
TYR A 279
TYR A 145
 PLP  A 900 (-4.0A)
PLP  A 900 ( 4.8A)
None
None
None
 1.44A 4qb9E-3k28A:
undetectable		 4qb9E-3k28A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3Y_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 PHE A 222
GLU A 188
SER A 189
VAL A 182
 None
 1.36A 4v3yA-3k28A:
undetectable
4v3yB-3k28A:
undetectable		 4v3yA-3k28A:
21.01
4v3yB-3k28A:
21.01
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.
4XV2_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 4 GLY A 336
LEU A 427
PHE A 379
ILE A 346
 None
 0.94A 4xv2A-3k28A:
undetectable		 4xv2A-3k28A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 ALA A 249
VAL A 248
GLU A 241
TYR A 256
ALA A 278
 None
 0.98A 5n5dA-3k28A:
3.2		 5n5dA-3k28A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 ALA A 249
VAL A 248
GLU A 241
TYR A 256
GLU A 104
 None
 1.06A 5n5dA-3k28A:
3.2		 5n5dA-3k28A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 ALA A 249
VAL A 248
GLU A 241
TYR A 256
ALA A 278
 None
 0.98A 5n5dB-3k28A:
3.2		 5n5dB-3k28A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 ALA A 249
VAL A 248
GLU A 241
TYR A 256
GLU A 104
 None
 1.02A 5n5dB-3k28A:
3.2		 5n5dB-3k28A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 9 VAL A 112
LEU A 266
PHE A 246
VAL A 106
ILE A 109
 None
None
None
None
CA  A 430 (-4.9A)
 1.19A 5om2A-3k28A:
undetectable
5om2B-3k28A:
undetectable		 5om2A-3k28A:
9.77
5om2B-3k28A:
7.90
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.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		3 / 3 GLY A 147
LEU A 152
HIS A 146
 PLP  A 900 (-3.8A)
None
None
 0.65A 5u63A-3k28A:
undetectable		 5u63A-3k28A:
21.92
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.
5U63_B_ACTB405_0
(THIOREDOXIN
REDUCTASE)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		3 / 3 GLY A 147
LEU A 152
HIS A 146
 PLP  A 900 (-3.8A)
None
None
 0.67A 5u63B-3k28A:
1.7		 5u63B-3k28A:
21.92
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.
5UO7_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		4 / 8 SER A 189
VAL A 182
PHE A 222
GLU A 188
 None
 1.30A 5uo7A-3k28A:
undetectable
5uo7B-3k28A:
undetectable		 5uo7A-3k28A:
22.15
5uo7B-3k28A:
22.15
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.
6GNF_C_QPSC602_2
(-)		 3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2
(Bacillus
anthracis) 		5 / 12 VAL A 242
ASN A 116
GLU A  95
PRO A 275
GLY A 271
 PLP  A 900 (-4.1A)
None
None
None
None
 1.27A 6gnfC-3k28A:
undetectable		 6gnfC-3k28A:
21.99