SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2pyx'

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.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 ILE A 349
ILE A 367
MET A  65
LEU A 180
ILE A  72
 None
 1.07A 1bsxA-2pyxA:
undetectable		 1bsxA-2pyxA:
18.75
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.
1BSX_B_T3B2_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 ILE A 349
ILE A 367
MET A  65
LEU A 180
ILE A  72
 None
 1.07A 1bsxB-2pyxA:
undetectable		 1bsxB-2pyxA:
18.75
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.92A 1hpvA-2pyxA:
undetectable		 1hpvA-2pyxA:
10.65
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.
1HRK_A_CHDA1501_0
(FERROCHELATASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 MET A  65
LEU A 364
LEU A 171
ILE A 349
LEU A 179
 None
 1.09A 1hrkA-2pyxA:
undetectable		 1hrkA-2pyxA:
21.28
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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 6 HIS A 410
LEU A 359
PHE A  93
VAL A 467
 None
 1.18A 1ibgH-2pyxA:
undetectable		 1ibgH-2pyxA:
17.84
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.
1JG2_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 ILE A   9
LEU A 223
GLY A  18
THR A 370
ALA A 371
 None
 0.91A 1jg2A-2pyxA:
3.3		 1jg2A-2pyxA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 ILE A 349
LEU A  25
GLY A 350
THR A  21
LEU A 374
 None
None
TLA  A 527 (-3.3A)
None
None
 0.99A 1liiA-2pyxA:
3.9		 1liiA-2pyxA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.96A 1ohrB-2pyxA:
undetectable		 1ohrB-2pyxA:
10.65
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.
1WU8_C_ADNC502_1
(HYPOTHETICAL PROTEIN
PH0463)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 7 PHE A 251
ASN A 252
TYR A 421
ASN A 280
 None
 1.38A 1wu8A-2pyxA:
3.0
1wu8C-2pyxA:
2.8		 1wu8A-2pyxA:
19.77
1wu8C-2pyxA:
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.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 SER A 155
THR A 147
GLN A  89
 None
 0.67A 2fk8A-2pyxA:
2.8		 2fk8A-2pyxA:
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.
2HTQ_A_ZMRA472_2
(NEURAMINIDASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 4 ASP A 386
TRP A 342
ILE A 388
ARG A 391
 None
 1.45A 2htqA-2pyxA:
undetectable		 2htqA-2pyxA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_2
(PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.96A 2o4pB-2pyxA:
undetectable		 2o4pB-2pyxA:
10.65
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.
2OA1_A_TRPA2002_0
(TRYPTOPHAN
HALOGENASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 PRO A  63
LYS A  88
HIS A 110
PHE A 112
GLU A 360
 None
 0.55A 2oa1A-2pyxA:
43.9		 2oa1A-2pyxA:
27.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 LEU A 374
THR A 370
LEU A  24
ILE A  11
GLY A  18
 None
None
PG4  A 529 (-3.8A)
None
None
 0.86A 2ouzA-2pyxA:
undetectable		 2ouzA-2pyxA:
17.38
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.
3CKZ_A_ZMRA469_2
(NEURAMINIDASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 6 ASP A 386
TRP A 342
ILE A 388
ARG A 391
 None
 1.36A 3ckzA-2pyxA:
undetectable		 3ckzA-2pyxA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKP_B_478B200_2
(PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 10 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.95A 3ekpB-2pyxA:
undetectable		 3ekpB-2pyxA:
10.78
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.
3EKP_C_478C200_1
(PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 10 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.95A 3ekpC-2pyxA:
undetectable		 3ekpC-2pyxA:
10.78
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.
3EKQ_A_ROCA100_2
(PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.90A 3ekqB-2pyxA:
undetectable		 3ekqB-2pyxA:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		6 / 12 CYH A 227
ILE A 225
ILE A 349
PHE A 176
LEU A 180
LEU A  46
 None
 1.40A 3em0B-2pyxA:
undetectable		 3em0B-2pyxA:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK6_B_HCZB262_1
(GLUTAMATE RECEPTOR 2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 10 ILE A 356
PRO A 335
SER A 245
GLY A 336
LEU A 407
 None
 1.19A 3ik6B-2pyxA:
undetectable
3ik6E-2pyxA:
undetectable		 3ik6B-2pyxA:
19.88
3ik6E-2pyxA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK6_B_HCZB262_1
(GLUTAMATE RECEPTOR 2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 10 ILE A 356
PRO A 335
SER A 245
GLY A 336
SER A 248
 None
 1.35A 3ik6B-2pyxA:
undetectable
3ik6E-2pyxA:
undetectable		 3ik6B-2pyxA:
19.88
3ik6E-2pyxA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ILT_H_TRUH800_1
(GLUTAMATE RECEPTOR 2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 ILE A 286
SER A  91
SER A 275
 None
 0.54A 3iltH-2pyxA:
undetectable		 3iltH-2pyxA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_A_SAMA301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 SER A 301
ASP A 253
ASP A 424
 None
TLA  A 528 (-4.1A)
None
 0.86A 3iv6A-2pyxA:
3.3		 3iv6A-2pyxA:
19.20
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.
3IV6_C_SAMC301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 SER A 301
ASP A 253
ASP A 424
 None
TLA  A 528 (-4.1A)
None
 0.86A 3iv6C-2pyxA:
undetectable		 3iv6C-2pyxA:
19.20
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 ASP A 253
ASN A 334
SER A 301
 TLA  A 528 (-4.1A)
TLA  A 528 (-4.1A)
None
 0.95A 3lslA-2pyxA:
undetectable
3lslD-2pyxA:
undetectable		 3lslA-2pyxA:
19.48
3lslD-2pyxA:
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.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 SER A 301
ASP A 253
ASN A 334
 None
TLA  A 528 (-4.1A)
TLA  A 528 (-4.1A)
 0.96A 3lslA-2pyxA:
undetectable
3lslD-2pyxA:
undetectable		 3lslA-2pyxA:
19.48
3lslD-2pyxA:
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 6 ILE A 347
ALA A 348
ALA A  17
THR A  21
 None
None
TLA  A 527 (-3.3A)
None
 0.98A 3mdrB-2pyxA:
undetectable		 3mdrB-2pyxA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 11 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.95A 3oy4A-2pyxA:
undetectable		 3oy4A-2pyxA:
11.03
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.
3UJ7_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 SER A 430
ASP A 405
ASP A 451
 None
 0.86A 3uj7A-2pyxA:
2.6		 3uj7A-2pyxA:
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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 SER A  91
LEU A 458
PHE A 406
HIS A 410
TYR A 108
 None
 1.37A 3vn2A-2pyxA:
undetectable		 3vn2A-2pyxA:
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.
3WXO_A_NIZA802_1
(CATALASE-PEROXIDASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 8 TRP A  96
LEU A 359
GLY A 295
ILE A 283
 None
 0.90A 3wxoA-2pyxA:
undetectable		 3wxoA-2pyxA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 11 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.99A 4dqhA-2pyxA:
undetectable		 4dqhA-2pyxA:
9.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 ILE A 347
ALA A 348
ALA A  17
GLY A  15
THR A  21
 None
None
TLA  A 527 (-3.3A)
TLA  A 527 (-3.2A)
None
 1.08A 4enhA-2pyxA:
undetectable		 4enhA-2pyxA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 7 ASN A 393
ASP A 386
ILE A 208
THR A 370
 None
 0.98A 4eyrA-2pyxA:
undetectable		 4eyrA-2pyxA:
10.84
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.
4FE1_B_PQNB840_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 MET A  65
SER A  64
ILE A 349
ALA A 371
LEU A  24
 None
None
None
None
PG4  A 529 (-3.8A)
 1.41A 4fe1B-2pyxA:
0.0		 4fe1B-2pyxA:
22.60
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 PHE A  87
TYR A 161
TYR A 169
 None
 0.94A 4ffwA-2pyxA:
undetectable		 4ffwA-2pyxA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 11 LEU A 121
LEU A 128
MET A 485
GLN A 486
ALA A 489
 None
 1.20A 4hwkB-2pyxA:
0.0		 4hwkB-2pyxA:
20.08
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 LEU A 121
LEU A 128
MET A 485
GLN A 486
ALA A 489
 None
 1.20A 4hwkC-2pyxA:
0.0		 4hwkC-2pyxA:
20.08
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.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 11 LEU A 121
LEU A 128
MET A 485
GLN A 486
ALA A 489
 None
 1.22A 4hwkD-2pyxA:
0.0		 4hwkD-2pyxA:
20.08
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.
4K50_I_ACTI507_0
(RNA POLYMERASE
3D-POL)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 LYS A 482
PRO A 483
SER A 484
 None
 0.32A 4k50I-2pyxA:
undetectable		 4k50I-2pyxA:
21.29
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.
4KFB_A_T27A607_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H,
EXORIBONUCLEA P66 RT)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 PRO A 478
LEU A 128
VAL A 140
TYR A 126
PRO A 115
 None
 1.43A 4kfbA-2pyxA:
2.1		 4kfbA-2pyxA:
23.10
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 10 PHE A 459
TYR A 466
TYR A 108
GLY A 470
PHE A 406
 None
 1.34A 4kouA-2pyxA:
0.0		 4kouA-2pyxA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 TYR A 466
TYR A 108
GLY A 470
ILE A 413
PHE A 406
 None
 1.34A 4kovA-2pyxA:
undetectable		 4kovA-2pyxA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 ARG A  92
HIS A 274
SER A 107
 None
 0.97A 4mjwA-2pyxA:
10.0
4mjwB-2pyxA:
10.0		 4mjwA-2pyxA:
21.50
4mjwB-2pyxA:
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.
4MJW_B_ACTB603_0
(CHOLINE OXIDASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 SER A 107
ARG A  92
HIS A 274
 None
 1.01A 4mjwA-2pyxA:
10.0
4mjwB-2pyxA:
10.0		 4mjwA-2pyxA:
21.50
4mjwB-2pyxA:
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.
4NJU_A_TPVA500_2
(PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 10 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.97A 4njuB-2pyxA:
undetectable		 4njuB-2pyxA:
10.27
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.
4NJU_C_TPVC500_2
(PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 10 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.96A 4njuD-2pyxA:
undetectable		 4njuD-2pyxA:
10.27
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.
4QGI_A_ROCA101_2
(PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 11 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.87A 4qgiB-2pyxA:
undetectable		 4qgiB-2pyxA:
10.52
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.
4YOA_A_017A100_1
(HIV-1 PROTEASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 6 ASN A 393
ASP A 386
THR A 373
VAL A 392
 None
 1.07A 4yoaA-2pyxA:
undetectable		 4yoaA-2pyxA:
10.84
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.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 7 ILE A  72
GLY A  73
PHE A 163
PHE A 522
 None
 0.86A 5hieA-2pyxA:
undetectable		 5hieA-2pyxA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 7 ILE A  72
GLY A  73
PHE A 163
PHE A 522
 None
 0.86A 5hieB-2pyxA:
undetectable		 5hieB-2pyxA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 8 ILE A  72
GLY A  73
PHE A 163
PHE A 522
 None
 0.87A 5hieD-2pyxA:
undetectable		 5hieD-2pyxA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 7 ILE A  74
LEU A  24
ALA A  27
HIS A 183
 None
PG4  A 529 (-3.8A)
None
None
 0.91A 5hrqE-2pyxA:
undetectable
5hrqF-2pyxA:
undetectable
5hrqJ-2pyxA:
undetectable		 5hrqE-2pyxA:
4.19
5hrqF-2pyxA:
5.37
5hrqJ-2pyxA:
5.37
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.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.91A 5kqxB-2pyxA:
undetectable		 5kqxB-2pyxA:
11.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N8J_E_DVAE7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 TYR A 469
SER A 472
TRP A 127
 None
 1.00A 5n8jB-2pyxA:
undetectable		 5n8jB-2pyxA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N8J_O_DVAO7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 TYR A 469
SER A 472
TRP A 127
 None
 0.92A 5n8jA-2pyxA:
undetectable		 5n8jA-2pyxA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N8J_P_DVAP5_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 TYR A 469
SER A 472
TRP A 127
 None
 0.93A 5n8jD-2pyxA:
undetectable		 5n8jD-2pyxA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE8_C_08JC602_1
(CYTOCHROME P450 3A4)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 7 SER A  91
ALA A 361
ILE A 403
LEU A 458
 None
 0.90A 5te8C-2pyxA:
undetectable		 5te8C-2pyxA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 LEU A 223
ASN A 393
LEU A 235
 None
 0.73A 6exiD-2pyxA:
2.9		 6exiD-2pyxA:
10.15
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.
6G2P_A_TRPA502_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 7 TYR A 169
LEU A 514
TYR A 167
VAL A 517
 None
 1.23A 6g2pA-2pyxA:
10.2		 6g2pA-2pyxA:
24.68
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.
6HQB_B_PQNB2002_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 MET A  65
SER A  64
ILE A 349
ALA A 371
LEU A  24
 None
None
None
None
PG4  A 529 (-3.8A)
 1.39A 6hqbB-2pyxA:
0.0		 6hqbB-2pyxA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NM4_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 ILE A 269
GLY A 150
LEU A 151
GLY A  90
ASN A 510
 None
 1.13A 6nm4B-2pyxA:
undetectable		 6nm4B-2pyxA:
17.45