SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4xr9'

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.
1C4D_B_DVAB6_0
(GRAMICIDIN A)		 4xr9 CALS8
(Micromonospora
echinospora) 		3 / 3 TRP A 285
ALA A 303
VAL A 298
 None
 0.89A 1c4dA-4xr9A:
undetectable
1c4dB-4xr9A:
undetectable		 1c4dA-4xr9A:
5.36
1c4dB-4xr9A:
5.36
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.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 ASP A 369
ALA A 372
THR A 349
PRO A 350
VAL A 351
 None
 0.78A 1fb7A-4xr9A:
undetectable		 1fb7A-4xr9A:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GMK_D_DVAD8_0
(GRAMICIDIN A)		 4xr9 CALS8
(Micromonospora
echinospora) 		3 / 3 TRP A 223
VAL A 229
TRP A 224
 None
TMP  A 503 (-4.4A)
None
 1.42A 1gmkC-4xr9A:
undetectable
1gmkD-4xr9A:
undetectable		 1gmkC-4xr9A:
5.36
1gmkD-4xr9A:
5.36
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.
1GTN_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 GLY A  54
ALA A  78
THR A  47
THR A  25
ALA A  40
 None
None
NAD  A 501 ( 4.5A)
None
None
 1.32A 1gtnO-4xr9A:
undetectable
1gtnP-4xr9A:
undetectable		 1gtnO-4xr9A:
10.07
1gtnP-4xr9A:
10.07
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 ALA A 400
VAL A 355
ILE A 367
GLY A 336
PRO A 350
 None
 1.03A 1k6cA-4xr9A:
undetectable		 1k6cA-4xr9A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUI_B_AB1B100_1
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.95A 1muiA-4xr9A:
undetectable		 1muiA-4xr9A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_5
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		4 / 4 LEU A 441
VAL A 426
CYH A 424
ALA A 396
 None
 1.28A 1mz9E-4xr9A:
undetectable		 1mz9E-4xr9A:
7.78
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.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		4 / 4 THR A  47
LEU A  51
VAL A  67
LEU A  70
 NAD  A 501 ( 4.5A)
None
None
None
 0.85A 1mz9D-4xr9A:
undetectable		 1mz9D-4xr9A:
7.78
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.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 GLY A 336
VAL A 346
ALA A 400
PHE A 408
LEU A 411
 None
 1.15A 1nw3A-4xr9A:
3.9		 1nw3A-4xr9A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 11 ASP A 369
ALA A 372
THR A 349
PRO A 350
VAL A 351
 None
 0.88A 1ohrA-4xr9A:
undetectable		 1ohrA-4xr9A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		4 / 5 TRP A 282
PRO A 281
LEU A 277
GLY A 273
 None
None
TMP  A 503 (-4.6A)
TMP  A 503 (-3.7A)
 1.32A 1ya4C-4xr9A:
undetectable		 1ya4C-4xr9A:
22.45
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.
2AVD_B_SAMB601_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 MET A 431
GLY A 336
ALA A 372
ALA A 338
ARG A 430
 None
None
None
None
TMP  A 503 (-3.2A)
 1.37A 2avdB-4xr9A:
4.7		 2avdB-4xr9A:
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.
2NNP_A_ROCA401_1
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		6 / 11 ASP A 369
ALA A 372
ASP A 373
THR A 349
PRO A 350
VAL A 351
 None
 1.23A 2nnpA-4xr9A:
undetectable		 2nnpA-4xr9A:
14.50
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.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 ALA A  20
THR A  25
ALA A  32
ALA A  36
ILE A  92
 None
 0.95A 2nyrA-4xr9A:
4.1		 2nyrA-4xr9A:
22.61
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.
2O4P_A_TPVA300_1
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 11 ASP A 369
ALA A 372
ASP A 373
PRO A 350
VAL A 351
 None
 1.07A 2o4pA-4xr9A:
undetectable		 2o4pA-4xr9A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 11 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.94A 2qhcA-4xr9A:
undetectable		 2qhcA-4xr9A:
11.30
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.
2VDY_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 SER A 394
VAL A 420
PHE A 444
ARG A 419
PHE A 446
 None
 1.44A 2vdyB-4xr9A:
undetectable		 2vdyB-4xr9A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 ALA A 403
PHE A 381
ALA A 400
VAL A 354
GLY A 353
 None
 0.98A 2ve3B-4xr9A:
undetectable		 2ve3B-4xr9A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.82A 2z54B-4xr9A:
undetectable		 2z54B-4xr9A:
14.08
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.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		6 / 12 ASP A 369
ALA A 372
ASP A 373
THR A 349
PRO A 350
VAL A 351
 None
 1.33A 3d1xA-4xr9A:
undetectable		 3d1xA-4xr9A:
14.25
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.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		6 / 12 ASP A 369
ALA A 372
ASP A 373
THR A 349
PRO A 350
VAL A 351
 None
 1.34A 3d1yA-4xr9A:
undetectable		 3d1yA-4xr9A:
14.50
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.
3EKP_B_478B200_2
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.95A 3ekpB-4xr9A:
undetectable		 3ekpB-4xr9A:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.98A 3ekpC-4xr9A:
undetectable		 3ekpC-4xr9A:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKT_B_017B200_2
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 9 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.98A 3ektB-4xr9A:
undetectable		 3ektB-4xr9A:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKV_A_478A200_2
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 9 ASP A 369
ALA A 372
ASP A 373
PRO A 350
VAL A 351
 None
 0.96A 3ekvB-4xr9A:
undetectable		 3ekvB-4xr9A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKX_B_1UNB201_1
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 11 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.81A 3ekxA-4xr9A:
undetectable		 3ekxA-4xr9A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKX_B_1UNB201_2
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 11 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.83A 3ekxB-4xr9A:
undetectable		 3ekxB-4xr9A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL4_A_ROCA100_2
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 9 ALA A 400
VAL A 355
ILE A 367
GLY A 336
PRO A 350
 None
 0.98A 3el4B-4xr9A:
undetectable		 3el4B-4xr9A:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_A_DR7A100_2
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 9 ASP A 369
ALA A 372
ASP A 373
PRO A 350
VAL A 351
 None
 1.02A 3em4B-4xr9A:
undetectable		 3em4B-4xr9A:
11.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_Q_TRPQ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		4 / 8 GLY A  86
ILE A 117
VAL A  91
VAL A  16
 None
 0.76A 3fi0Q-4xr9A:
undetectable		 3fi0Q-4xr9A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IB1_A_IMNA701_1
(LACTOTRANSFERRIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		4 / 4 PRO A  98
THR A  97
GLY A  24
THR A  25
 None
NAD  A 501 (-3.2A)
None
None
 1.02A 3ib1A-4xr9A:
undetectable		 3ib1A-4xr9A:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 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_M_TFPM201_1
(PROTEIN S100-A4)		 4xr9 CALS8
(Micromonospora
echinospora) 		4 / 7 GLY A 184
CYH A 114
GLY A 158
PHE A 157
 None
 0.96A 3ko0M-4xr9A:
undetectable
3ko0P-4xr9A:
undetectable		 3ko0M-4xr9A:
12.99
3ko0P-4xr9A:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU6_B_478B401_1
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 ASP A 369
ALA A 372
ASP A 373
PRO A 350
VAL A 351
 None
 0.87A 3nu6A-4xr9A:
undetectable		 3nu6A-4xr9A:
14.25
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.
3NU9_A_478A401_1
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		4 / 8 ASP A 369
ALA A 372
PRO A 350
VAL A 351
 None
 0.61A 3nu9A-4xr9A:
undetectable		 3nu9A-4xr9A:
14.50
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.
3NUJ_B_478B401_2
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 9 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.92A 3nujB-4xr9A:
undetectable		 3nujB-4xr9A:
14.50
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.
3NUO_B_478B478_2
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 9 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.92A 3nuoB-4xr9A:
undetectable		 3nuoB-4xr9A:
14.25
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.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 ASP A 369
ALA A 372
ASP A 373
PRO A 350
VAL A 351
 None
 0.95A 3oxvB-4xr9A:
undetectable		 3oxvB-4xr9A:
12.50
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.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 11 ASP A 369
ALA A 372
ASP A 373
PRO A 350
VAL A 351
 None
 0.90A 3oy4A-4xr9A:
undetectable		 3oy4A-4xr9A:
12.02
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.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		3 / 3 ILE A 367
VAL A 355
ARG A 359
 None
 0.67A 3p73A-4xr9A:
undetectable		 3p73A-4xr9A:
22.10
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 GLY A 183
GLN A 207
LEU A 129
GLU A 194
ALA A 193
 None
 1.15A 3sxjA-4xr9A:
4.4		 3sxjA-4xr9A:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 GLY A 183
GLN A 207
LEU A 129
GLU A 194
ALA A 193
 None
 1.17A 3sxjB-4xr9A:
4.2		 3sxjB-4xr9A:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 GLY A 184
GLN A 207
PHE A 157
GLU A 194
ALA A 192
 None
 1.31A 3t7sA-4xr9A:
4.6		 3t7sA-4xr9A:
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 GLY A 184
GLN A 207
PHE A 157
GLU A 194
ALA A 192
 None
 1.32A 3t7sB-4xr9A:
5.3		 3t7sB-4xr9A:
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 GLY A 184
GLN A 207
PHE A 157
GLU A 194
ALA A 192
 None
 1.32A 3t7sD-4xr9A:
5.0		 3t7sD-4xr9A:
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.
3TKG_C_ROCC901_1
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 ASP A 369
ALA A 372
THR A 349
PRO A 350
VAL A 351
 None
 0.85A 3tkgC-4xr9A:
undetectable		 3tkgC-4xr9A:
14.36
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.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 SER A 394
VAL A 420
PHE A 444
ARG A 419
PHE A 446
 None
 1.46A 4c49D-4xr9A:
undetectable		 4c49D-4xr9A:
21.30
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.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 1.03A 4dqcA-4xr9A:
undetectable		 4dqcA-4xr9A:
14.00
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.
4DTZ_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 4xr9 CALS8
(Micromonospora
echinospora) 		4 / 6 PHE A 196
ALA A 200
LEU A  31
THR A  30
 None
 1.13A 4dtzB-4xr9A:
undetectable		 4dtzB-4xr9A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 VAL A  15
PHE A 196
LEU A  31
VAL A  38
LEU A  27
 None
 1.02A 4e3hA-4xr9A:
undetectable		 4e3hA-4xr9A:
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.
4M6T_A_SAMA201_0
(RNA POLYMERASE
II-ASSOCIATED FACTOR
1 HOMOLOG, LINKER,
RNA
POLYMERASE-ASSOCIATE
D PROTEIN LEO1)		 4xr9 CALS8
(Micromonospora
echinospora) 		4 / 4 ILE A 117
VAL A  90
VAL A  85
ARG A 120
 None
 1.02A 4m6tA-4xr9A:
undetectable		 4m6tA-4xr9A:
15.78
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.
4NJU_A_TPVA500_1
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 ALA A 400
VAL A 355
ILE A 367
GLY A 336
PRO A 350
 None
 1.02A 4njuA-4xr9A:
undetectable		 4njuA-4xr9A:
14.32
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.
4NJU_C_TPVC500_1
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 ALA A 400
VAL A 355
ILE A 367
GLY A 336
PRO A 350
 None
 1.04A 4njuC-4xr9A:
undetectable		 4njuC-4xr9A:
14.32
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.
4NJV_A_RITA500_2
(PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 11 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.93A 4njvB-4xr9A:
undetectable		 4njvB-4xr9A:
14.75
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.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 10 ASP A 369
ALA A 372
ASP A 373
PRO A 350
VAL A 351
 None
 0.97A 4q1wB-4xr9A:
undetectable		 4q1wB-4xr9A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 9 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.91A 4rvjB-4xr9A:
undetectable		 4rvjB-4xr9A:
14.32
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.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 9 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.90A 4rvjD-4xr9A:
undetectable		 4rvjD-4xr9A:
14.32
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.
5NJV_D_SAMD301_0
(NS5)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 GLY A  96
GLY A  24
GLY A  21
THR A  25
ILE A  17
 NAD  A 501 ( 4.1A)
None
NAD  A 501 (-3.4A)
None
None
 0.96A 5njvD-4xr9A:
undetectable		 5njvD-4xr9A:
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.
5YK2_A_ERYA501_0
(PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 11 GLU A 194
ARG A 195
GLY A 158
ALA A 160
ILE A 128
 None
 1.21A 5yk2A-4xr9A:
undetectable		 5yk2A-4xr9A:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BKL_C_EU7C101_0
(MATRIX PROTEIN 2)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 9 ALA A  78
VAL A  67
ALA A  71
VAL A  29
GLY A  74
 None
 1.27A 6bklA-4xr9A:
undetectable
6bklB-4xr9A:
undetectable
6bklC-4xr9A:
undetectable
6bklD-4xr9A:
undetectable		 6bklA-4xr9A:
6.17
6bklB-4xr9A:
6.17
6bklC-4xr9A:
6.17
6bklD-4xr9A:
6.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 GLY A  62
ALA A  66
LEU A 172
ALA A 171
CYH A  26
 None
 0.79A 6bq4A-4xr9A:
5.3		 6bq4A-4xr9A:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4xr9 CALS8
(Micromonospora
echinospora) 		5 / 12 GLY A  62
ALA A  66
LEU A 172
ALA A 171
CYH A  26
 None
 0.75A 6bq4B-4xr9A:
5.8		 6bq4B-4xr9A:
10.93