SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DKA'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 5 ARG A 209
LYS A 212
ALA A 213
ASP A 324
GLY A 328
 DKA  A1001 ( 4.6A)
None
DKA  A1001 ( 4.0A)
DKA  A1001 (-4.7A)
DKA  A1001 ( 4.1A)
 0.66A 1e7bA-1tf0A:
47.7		 1e7bA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7B_A_HLTA4002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 4 ARG A 209
ALA A 213
ALA A 350
GLU A 354
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
DKA  A1002 ( 3.8A)
DKA  A1002 ( 4.4A)
 0.35A 1e7bA-1tf0A:
47.7		 1e7bA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7B_B_HLTB4001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 4 ARG A 209
LYS A 212
ASP A 324
GLY A 328
 DKA  A1001 ( 4.6A)
None
DKA  A1001 (-4.7A)
DKA  A1001 ( 4.1A)
 0.52A 1e7bB-1tf0A:
47.7		 1e7bB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7B_B_HLTB4002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 4 ARG A 209
ALA A 213
ALA A 350
GLU A 354
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
DKA  A1002 ( 3.8A)
DKA  A1002 ( 4.4A)
 0.36A 1e7bB-1tf0A:
47.7		 1e7bB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 5 ARG A 209
LYS A 212
ALA A 213
ASP A 324
GLY A 328
 DKA  A1001 ( 4.6A)
None
DKA  A1001 ( 4.0A)
DKA  A1001 (-4.7A)
DKA  A1001 ( 4.1A)
 0.40A 1e7cA-1tf0A:
36.9		 1e7cA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7C_A_HLTA4002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 5 ARG A 209
ALA A 213
ALA A 350
GLU A 354
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
DKA  A1002 ( 3.8A)
DKA  A1002 ( 4.4A)
 0.19A 1e7cA-1tf0A:
36.9		 1e7cA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7C_A_HLTA4002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 5 ARG A 209
ALA A 350
LYS A 351
GLU A 354
 DKA  A1001 ( 4.6A)
DKA  A1002 ( 3.8A)
DKA  A1002 (-2.6A)
DKA  A1002 ( 4.4A)
 0.97A 1e7cA-1tf0A:
36.9		 1e7cA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7C_A_HLTA4004_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 4 VAL A 216
PHE A 228
SER A 232
VAL A 235
 None
DKA  A1001 (-4.4A)
DKA  A1001 (-3.5A)
DKA  A1001 ( 4.9A)
 0.49A 1e7cA-1tf0A:
36.9		 1e7cA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 8 ALA A 213
LEU A 327
LEU A 331
ALA A 350
LYS A 351
 DKA  A1001 ( 4.0A)
DKA  A1001 (-4.1A)
None
DKA  A1002 ( 3.8A)
DKA  A1002 (-2.6A)
 0.81A 1e7cA-1tf0A:
36.9		 1e7cA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 8 ALA A 213
LEU A 327
LEU A 331
LEU A 347
ALA A 350
 DKA  A1001 ( 4.0A)
DKA  A1001 (-4.1A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
 0.86A 1e7cA-1tf0A:
36.9		 1e7cA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B
(Sorghum
bicolor;
Sorghum
bicolor) 		4 / 7 GLY A  63
ASP A 126
HIS A 160
TRP B 330
 DKA  A 701 (-4.0A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.0A)
 0.86A 1gxsA-1gxsA:
41.5
1gxsB-1gxsA:
0.8		 1gxsA-1gxsA:
100.00
1gxsB-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 11 PHE A 211
ALA A 215
LEU A 219
ARG A 222
LEU A 238
HIS A 242
ARG A 257
LEU A 260
SER A 287
ALA A 291
 None
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
CIT  A2001 ( 3.9A)
 0.74A 1h9zA-1tf0A:
38.2		 1h9zA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 11 PHE A 211
TRP A 214
ALA A 215
LEU A 219
ARG A 222
HIS A 242
ARG A 257
LEU A 260
SER A 287
ALA A 291
 None
None
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
CIT  A2001 ( 3.9A)
 0.83A 1h9zA-1tf0A:
38.2		 1h9zA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 11 ALA A 215
LEU A 219
ARG A 222
LEU A 238
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
 None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.72A 1ha2A-1tf0A:
38.8		 1ha2A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 11 PHE A 211
ALA A 215
LEU A 219
LEU A 238
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
 None
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.60A 1ha2A-1tf0A:
38.8		 1ha2A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 11 PHE A 211
TRP A 214
ALA A 215
LEU A 219
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
 None
None
None
None
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.69A 1ha2A-1tf0A:
38.8		 1ha2A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 11 TRP A 214
ALA A 215
LEU A 219
ARG A 222
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
 None
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.79A 1ha2A-1tf0A:
38.8		 1ha2A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 11 LYS A 199
TRP A 214
LEU A 219
HIS A 242
ALA A 291
 CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-3.7A)
CIT  A2001 ( 3.9A)
 0.77A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 11 TYR A 150
LEU A 219
ARG A 218
LEU A 238
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.27A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 11 TYR A 150
LYS A 199
ARG A 218
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.10A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 11 TYR A 150
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.30A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK2_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 LEU A 219
ARG A 218
LEU A 238
ARG A 257
ALA A 291
 None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.50A 1hk2A-1tf0A:
48.4		 1hk2A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK2_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 TYR A 150
LYS A 199
LEU A 219
ARG A 222
HIS A 242
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
 0.98A 1hk2A-1tf0A:
48.4		 1hk2A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK2_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 9 TYR A 150
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.51A 1hk2A-1tf0A:
48.4		 1hk2A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 11 TYR A 150
LEU A 219
ARG A 218
LEU A 238
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.33A 1hk3A-1tf0A:
48.1		 1hk3A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 11 TYR A 150
LYS A 195
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 (-4.1A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.61A 1hk3A-1tf0A:
48.1		 1hk3A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 11 TYR A 150
LYS A 195
LYS A 199
TRP A 214
LEU A 219
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 (-4.1A)
CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.77A 1hk3A-1tf0A:
48.1		 1hk3A-1tf0A:
99.83
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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		 3stt METHYLKETONE
SYNTHASE I
(Solanum
habrochaites) 		4 / 7 THR A  18
HIS A  86
SER A 111
LEU A 223
 DKA  A 266 (-2.9A)
None
None
None
 0.98A 1ibgL-3sttA:
undetectable		 1ibgL-3sttA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OQ5_A_CELA701_2
(CARBONIC ANHYDRASE
II)		 1w66 LIPOYLTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 4 HIS A  83
VAL A  89
THR A  74
LEU A 156
 DKA  A 301 ( 4.9A)
None
None
None
 1.13A 1oq5A-1w66A:
undetectable		 1oq5A-1w66A:
21.11
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3stt METHYLKETONE
SYNTHASE I
(Solanum
habrochaites) 		5 / 12 ALA A  87
LEU A  88
VAL A 132
LYS A 127
ALA A 131
 DKA  A 266 (-3.4A)
DKA  A 266 (-4.2A)
None
None
None
 1.15A 1sa1A-3sttA:
3.0
1sa1B-3sttA:
3.1		 1sa1A-3sttA:
21.75
1sa1B-3sttA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3stt METHYLKETONE
SYNTHASE I
(Solanum
habrochaites) 		5 / 12 ALA A  87
LEU A  88
VAL A 132
LYS A 127
ALA A 131
 DKA  A 266 (-3.4A)
DKA  A 266 (-4.2A)
None
None
None
 1.16A 1sa1C-3sttA:
3.5
1sa1D-3sttA:
3.3		 1sa1C-3sttA:
21.75
1sa1D-3sttA:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 TYR A 150
SER A 192
GLN A 196
HIS A 242
ALA A 258
 DKA  A1003 (-4.4A)
None
None
DKA  A1003 (-3.7A)
None
 0.91A 2bxcA-1tf0A:
47.4		 2bxcA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		12 / 12 TYR A 150
SER A 192
GLN A 196
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 261
ILE A 264
ILE A 290
ALA A 291
 DKA  A1003 (-4.4A)
None
None
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.45A 2bxcA-1tf0A:
47.4		 2bxcA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_B_P1ZB2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 9 TYR A 150
GLU A 153
LEU A 219
ARG A 222
LEU A 238
HIS A 242
ARG A 257
ALA A 261
ALA A 291
 DKA  A1003 (-4.4A)
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.45A 2bxcB-1tf0A:
47.4		 2bxcB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_A_RWFA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 9 TYR A 150
LYS A 199
PHE A 211
ARG A 222
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.38A 2bxdA-1tf0A:
47.8		 2bxdA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_B_RWFB2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 10 TYR A 150
LYS A 199
PHE A 211
ARG A 222
LEU A 238
HIS A 242
ILE A 290
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.31A 2bxdB-1tf0A:
47.7		 2bxdB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_B_RWFB2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 10 TYR A 150
LYS A 199
PHE A 211
TRP A 214
ARG A 222
HIS A 242
ILE A 290
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.64A 2bxdB-1tf0A:
47.7		 2bxdB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_A_1FLA2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 10 PHE A 206
ALA A 210
ALA A 213
LEU A 331
LEU A 347
ALA A 350
GLU A 354
SER A 480
LEU A 481
VAL A 482
 None
DKA  A1002 (-3.3A)
DKA  A1001 ( 4.0A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
DKA  A1002 ( 4.4A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.46A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 LEU A 219
ARG A 218
LEU A 238
HIS A 242
LEU A 260
 None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
 1.37A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 9 TYR A 150
ARG A 222
PHE A 223
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.9A)
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.85A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 9 TYR A 150
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ALA A 291
 DKA  A1003 (-4.4A)
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.31A 2bxeA-1tf0A:
47.5		 2bxeA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 11 PHE A 206
ALA A 210
ALA A 213
LEU A 347
ALA A 350
LYS A 351
GLU A 354
SER A 480
LEU A 481
VAL A 482
 None
DKA  A1002 (-3.3A)
DKA  A1001 ( 4.0A)
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
DKA  A1002 (-2.6A)
DKA  A1002 ( 4.4A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.58A 2bxeB-1tf0A:
47.7		 2bxeB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 11 PHE A 206
ARG A 209
ALA A 210
ALA A 213
LEU A 347
ALA A 350
GLU A 354
SER A 480
LEU A 481
VAL A 482
 None
DKA  A1001 ( 4.6A)
DKA  A1002 (-3.3A)
DKA  A1001 ( 4.0A)
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
DKA  A1002 ( 4.4A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.45A 2bxeB-1tf0A:
47.7		 2bxeB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 10 TYR A 150
LEU A 219
ARG A 222
PHE A 223
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
None
CIT  A2001 ( 2.9A)
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.82A 2bxeB-1tf0A:
47.7		 2bxeB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 10 TYR A 150
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ILE A 264
ALA A 291
 DKA  A1003 (-4.4A)
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
CIT  A2001 ( 3.9A)
 0.34A 2bxeB-1tf0A:
47.7		 2bxeB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 8 ARG A 209
ALA A 213
ALA A 350
GLU A 354
SER A 480
LEU A 481
VAL A 482
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
DKA  A1002 ( 3.8A)
DKA  A1002 ( 4.4A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.48A 2bxgA-1tf0A:
47.3		 2bxgA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXG_B_IBPB2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 10 ARG A 209
ALA A 210
ALA A 213
LEU A 331
LEU A 347
ALA A 350
SER A 480
LEU A 481
VAL A 482
 DKA  A1001 ( 4.6A)
DKA  A1002 (-3.3A)
DKA  A1001 ( 4.0A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.40A 2bxgB-1tf0A:
47.3		 2bxgB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXG_B_IBPB2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 10 LEU A 347
LYS A 351
SER A 480
LEU A 481
VAL A 482
 DKA  A1002 ( 4.3A)
DKA  A1002 (-2.6A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.90A 2bxgB-1tf0A:
47.3		 2bxgB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 8 PHE A 211
ALA A 215
ARG A 218
LEU A 238
 None
None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
 1.00A 2bxkA-1tf0A:
38.5		 2bxkA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 8 ALA A 210
PHE A 211
ALA A 215
LEU A 238
 DKA  A1002 (-3.3A)
None
None
DKA  A1003 (-4.3A)
 0.24A 2bxmA-1tf0A:
38.4		 2bxmA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 12 PHE A 211
TRP A 214
LEU A 219
PHE A 223
LEU A 238
HIS A 242
LEU A 260
ALA A 261
ILE A 264
ALA A 291
 None
None
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
None
CIT  A2001 ( 3.9A)
 0.44A 2bxpA-1tf0A:
38.2		 2bxpA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		9 / 12 PHE A 211
TRP A 214
LEU A 219
PHE A 223
LEU A 238
HIS A 242
LEU A 260
SER A 287
ALA A 291
 None
None
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
CIT  A2001 ( 3.9A)
 0.62A 2bxpA-1tf0A:
38.2		 2bxpA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 10 ALA A 210
PHE A 211
ALA A 215
ARG A 218
LEU A 219
LEU A 238
LEU A 481
 DKA  A1002 (-3.3A)
None
None
CIT  A2001 (-4.0A)
None
DKA  A1003 (-4.3A)
None
 0.43A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 10 LYS A 199
ARG A 218
LEU A 219
LEU A 238
LEU A 481
 CIT  A2001 ( 2.7A)
CIT  A2001 (-4.0A)
None
DKA  A1003 (-4.3A)
None
 1.01A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 12 LEU A 219
ARG A 222
PHE A 223
LEU A 238
HIS A 242
ILE A 264
 None
CIT  A2001 ( 2.9A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
 1.45A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		10 / 12 LYS A 199
LEU A 219
ARG A 222
PHE A 223
LEU A 238
HIS A 242
ILE A 264
SER A 287
ILE A 290
ALA A 291
 CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.82A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		11 / 12 LYS A 199
LEU A 219
PHE A 223
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ILE A 264
SER A 287
ILE A 290
ALA A 291
 CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.83A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 5 LEU A 219
LEU A 260
ILE A 264
ILE A 290
ALA A 291
 None
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.39A 2i2zA-1tf0A:
38.1		 2i2zA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 4 LEU A 219
ILE A 264
ILE A 290
ALA A 291
 None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.31A 2i30A-1tf0A:
38.3		 2i30A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B9M_A_AZZA1009_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 LYS A 195
LYS A 199
VAL A 241
HIS A 242
ARG A 257
 CIT  A2001 (-4.1A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
 0.92A 3b9mA-1tf0A:
38.0		 3b9mA-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B9M_A_SALA1100_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 4 LEU A 219
ARG A 257
LEU A 260
ALA A 291
 None
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.57A 3b9mA-1tf0A:
38.0		 3b9mA-1tf0A:
100.00
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.
3S56_A_ROCA201_2
(PROTEASE)		 1w66 LIPOYLTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 9 LEU A  96
GLY A 147
ILE A 146
PRO A  92
ILE A  94
 None
DKA  A 301 (-4.0A)
None
None
None
 1.04A 3s56B-1w66A:
undetectable		 3s56B-1w66A:
17.17
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.
3U9F_J_CLMJ221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3stt METHYLKETONE
SYNTHASE I
(Solanum
habrochaites) 		5 / 12 SER A 168
TYR A 165
SER A 241
LEU A 110
HIS A 243
 None
None
None
None
DKA  A 266 (-3.8A)
 1.39A 3u9fJ-3sttA:
undetectable
3u9fK-3sttA:
undetectable		 3u9fJ-3sttA:
21.79
3u9fK-3sttA:
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.
3U9F_S_CLMS221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3stt METHYLKETONE
SYNTHASE I
(Solanum
habrochaites) 		5 / 12 HIS A 243
SER A 168
TYR A 165
SER A 241
LEU A 110
 DKA  A 266 (-3.8A)
None
None
None
None
 1.43A 3u9fP-3sttA:
undetectable
3u9fS-3sttA:
undetectable		 3u9fP-3sttA:
21.79
3u9fS-3sttA:
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.
3V4T_E_ACTE502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		3 / 3 LYS A 199
ARG A 222
LEU A 238
 CIT  A2001 ( 2.7A)
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
 1.08A 3v4tE-1tf0A:
undetectable		 3v4tE-1tf0A:
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.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B
(Sorghum
bicolor;
Sorghum
bicolor) 		3 / 3 HIS B 414
GLU A  76
ASN A  61
 DKA  A 701 (-4.0A)
None
DKA  A 701 (-3.8A)
 0.98A 4bupB-1gxsB:
0.0		 4bupB-1gxsB:
19.12
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
(Acidovorax
sp.
MR-S7) 		3 / 3 TYR A 157
GLN C 256
TRP C 189
 None
None
DKA  C 601 (-3.8A)
 1.11A 4kn2C-4yfaA:
undetectable		 4kn2C-4yfaA:
17.92
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
(Acidovorax
sp.
MR-S7) 		3 / 3 TYR A 165
GLN C 256
TRP C 189
 None
None
DKA  C 601 (-3.8A)
 1.16A 4kn2C-4yfaA:
undetectable		 4kn2C-4yfaA:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 9 ARG A 209
ALA A 210
ALA A 213
LEU A 327
SER A 480
LEU A 481
VAL A 482
 DKA  A1001 ( 4.6A)
DKA  A1002 (-3.3A)
DKA  A1001 ( 4.0A)
DKA  A1001 (-4.1A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.70A 4or0A-1tf0A:
45.0		 4or0A-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 9 ARG A 209
ALA A 210
LEU A 327
LYS A 351
SER A 480
LEU A 481
VAL A 482
 DKA  A1001 ( 4.6A)
DKA  A1002 (-3.3A)
DKA  A1001 (-4.1A)
DKA  A1002 (-2.6A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.93A 4or0A-1tf0A:
45.0		 4or0A-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 9 PHE A 206
ALA A 210
ALA A 213
SER A 480
LEU A 481
VAL A 482
 None
DKA  A1002 (-3.3A)
DKA  A1001 ( 4.0A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.85A 4or0A-1tf0A:
45.0		 4or0A-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_A_NPSA603_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 11 LEU A 198
SER A 202
LEU A 347
ASP A 451
LEU A 481
 None
None
DKA  A1002 ( 4.3A)
CIT  A2001 ( 4.6A)
None
 0.82A 4or0A-1tf0A:
45.0		 4or0A-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_A_NPSA603_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 11 LEU A 198
SER A 202
TRP A 214
LEU A 347
ASP A 451
 None
None
None
DKA  A1002 ( 4.3A)
CIT  A2001 ( 4.6A)
 0.93A 4or0A-1tf0A:
45.0		 4or0A-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 9 ALA A 210
LEU A 327
LYS A 351
SER A 480
LEU A 481
VAL A 482
 DKA  A1002 (-3.3A)
DKA  A1001 (-4.1A)
DKA  A1002 (-2.6A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 1.01A 4or0B-1tf0A:
44.7		 4or0B-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 9 ARG A 209
ALA A 210
ALA A 213
LEU A 327
LEU A 347
SER A 480
LEU A 481
VAL A 482
 DKA  A1001 ( 4.6A)
DKA  A1002 (-3.3A)
DKA  A1001 ( 4.0A)
DKA  A1001 (-4.1A)
DKA  A1002 ( 4.3A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.73A 4or0B-1tf0A:
44.7		 4or0B-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 11 LEU A 198
SER A 202
TRP A 214
VAL A 343
LEU A 347
 None
None
None
None
DKA  A1002 ( 4.3A)
 0.80A 4or0B-1tf0A:
44.7		 4or0B-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 11 LEU A 198
SER A 202
VAL A 343
LEU A 347
LEU A 481
 None
None
None
DKA  A1002 ( 4.3A)
None
 0.79A 4or0B-1tf0A:
44.7		 4or0B-1tf0A:
76.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OT2_A_NPSA602_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 6 ARG A 209
ALA A 213
ASP A 324
LEU A 347
SER A 480
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
DKA  A1001 (-4.7A)
DKA  A1002 ( 4.3A)
DKA  A1002 (-3.4A)
 0.54A 4ot2A-1tf0A:
46.8		 4ot2A-1tf0A:
76.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		4 / 8 ARG A 209
ALA A 213
GLY A 328
LEU A 331
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
DKA  A1001 ( 4.1A)
None
 0.68A 4po0A-1tf0A:
46.3		 4po0A-1tf0A:
74.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 8 LYS A 212
ALA A 213
GLY A 328
LEU A 331
LEU A 347
GLU A 354
 None
DKA  A1001 ( 4.0A)
DKA  A1001 ( 4.1A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 ( 4.4A)
 0.90A 4po0A-1tf0A:
46.3		 4po0A-1tf0A:
74.65
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.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		 3stt METHYLKETONE
SYNTHASE I
(Solanum
habrochaites) 		5 / 12 ASN A 163
LEU A  88
LEU A 153
ASN A 138
GLY A 129
 None
DKA  A 266 (-4.2A)
None
None
DKA  A 266 ( 3.7A)
 1.12A 4qckA-3sttA:
undetectable		 4qckA-3sttA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		 4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
(Acidovorax
sp.
MR-S7) 		12 / 12 SER C   1
PRO C  22
TRP C  24
PHE C  32
PHE C  50
GLN C  57
ILE C  58
HIS C  68
VAL C  70
TRP C 165
TRP C 189
VAL C 190
 DKA  C 601 (-2.5A)
None
DKA  C 601 (-4.3A)
None
DKA  C 601 ( 4.5A)
DKA  C 601 (-4.3A)
None
DKA  C 601 (-4.8A)
DKA  C 601 (-4.6A)
DKA  C 601 (-4.8A)
DKA  C 601 (-3.8A)
DKA  C 601 ( 4.8A)
 0.17A 4yfbC-4yfaC:
66.2		 4yfbC-4yfaC:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		 4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
(Acidovorax
sp.
MR-S7) 		12 / 12 SER C   1
PRO C  22
TRP C  24
PHE C  32
PHE C  50
GLN C  57
ILE C  58
HIS C  68
VAL C  70
TRP C 165
TRP C 189
VAL C 190
 DKA  C 601 (-2.5A)
None
DKA  C 601 (-4.3A)
None
DKA  C 601 ( 4.5A)
DKA  C 601 (-4.3A)
None
DKA  C 601 (-4.8A)
DKA  C 601 (-4.6A)
DKA  C 601 (-4.8A)
DKA  C 601 (-3.8A)
DKA  C 601 ( 4.8A)
 0.19A 4yfbF-4yfaC:
66.4		 4yfbF-4yfaC:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		 4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
(Acidovorax
sp.
MR-S7) 		12 / 12 SER C   1
PRO C  22
TRP C  24
PHE C  32
PHE C  50
GLN C  57
ILE C  58
HIS C  68
VAL C  70
TRP C 165
TRP C 189
VAL C 190
 DKA  C 601 (-2.5A)
None
DKA  C 601 (-4.3A)
None
DKA  C 601 ( 4.5A)
DKA  C 601 (-4.3A)
None
DKA  C 601 (-4.8A)
DKA  C 601 (-4.6A)
DKA  C 601 (-4.8A)
DKA  C 601 (-3.8A)
DKA  C 601 ( 4.8A)
 0.21A 4yfbI-4yfaC:
64.9		 4yfbI-4yfaC:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		 4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
(Acidovorax
sp.
MR-S7) 		12 / 12 SER C   1
PRO C  22
TRP C  24
PHE C  32
PHE C  50
GLN C  57
ILE C  58
HIS C  68
VAL C  70
TRP C 165
TRP C 189
VAL C 190
 DKA  C 601 (-2.5A)
None
DKA  C 601 (-4.3A)
None
DKA  C 601 ( 4.5A)
DKA  C 601 (-4.3A)
None
DKA  C 601 (-4.8A)
DKA  C 601 (-4.6A)
DKA  C 601 (-4.8A)
DKA  C 601 (-3.8A)
DKA  C 601 ( 4.8A)
 0.18A 4yfbL-4yfaC:
66.0		 4yfbL-4yfaC:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1008_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 9 PHE A 206
ALA A 210
PHE A 211
TRP A 214
VAL A 344
VAL A 482
 None
DKA  A1002 (-3.3A)
None
None
None
DKA  A1002 (-4.2A)
 0.61A 4z69A-1tf0A:
37.7		 4z69A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1008_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 PHE A 206
ALA A 210
VAL A 344
SER A 480
VAL A 482
 None
DKA  A1002 (-3.3A)
None
DKA  A1002 (-3.4A)
DKA  A1002 (-4.2A)
 0.82A 4z69A-1tf0A:
37.7		 4z69A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1008_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 9 SER A 202
ALA A 213
PHE A 211
TRP A 214
VAL A 344
LEU A 481
VAL A 482
 None
DKA  A1001 ( 4.0A)
None
None
None
None
DKA  A1002 (-4.2A)
 1.40A 4z69A-1tf0A:
37.7		 4z69A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1008_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 9 SER A 202
PHE A 206
PHE A 211
TRP A 214
VAL A 344
LEU A 481
VAL A 482
 None
None
None
None
None
None
DKA  A1002 (-4.2A)
 1.32A 4z69A-1tf0A:
37.7		 4z69A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1008_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 9 SER A 202
PHE A 206
VAL A 344
SER A 480
LEU A 481
VAL A 482
 None
None
None
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 1.46A 4z69A-1tf0A:
37.7		 4z69A-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_I_DIFI1006_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 10 LYS A 199
TRP A 214
PHE A 223
ARG A 257
LEU A 260
ILE A 264
SER A 287
ALA A 291
 CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-4.1A)
None
None
None
CIT  A2001 ( 3.9A)
 0.65A 4z69I-1tf0A:
37.7		 4z69I-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 10 ARG A 209
ALA A 213
ASP A 324
LEU A 327
LEU A 347
ALA A 350
SER A 480
LEU A 481
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
DKA  A1001 (-4.7A)
DKA  A1001 (-4.1A)
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
DKA  A1002 (-3.4A)
None
 0.48A 4zbrA-1tf0A:
46.9		 4zbrA-1tf0A:
76.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 10 ARG A 209
ALA A 213
LEU A 327
LEU A 347
ALA A 350
LYS A 351
SER A 480
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
DKA  A1001 (-4.1A)
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
DKA  A1002 (-2.6A)
DKA  A1002 (-3.4A)
 0.78A 4zbrA-1tf0A:
46.9		 4zbrA-1tf0A:
76.75
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		 4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
(Acidovorax
sp.
MR-S7) 		4 / 8 ALA A 159
HIS A  90
ARG A 155
THR A  77
 DKA  C 601 (-3.9A)
None
None
None
 1.01A 5db5A-4yfaA:
undetectable
5db5B-4yfaA:
undetectable		 5db5A-4yfaA:
19.21
5db5B-4yfaA:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		8 / 9 ALA A 213
ASP A 324
LEU A 327
GLY A 328
LEU A 331
LEU A 347
LYS A 351
GLU A 354
 DKA  A1001 ( 4.0A)
DKA  A1001 (-4.7A)
DKA  A1001 (-4.1A)
DKA  A1001 ( 4.1A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 (-2.6A)
DKA  A1002 ( 4.4A)
 0.54A 5dqfA-1tf0A:
46.5		 5dqfA-1tf0A:
76.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 9 ARG A 209
ALA A 213
LEU A 331
LEU A 347
LYS A 351
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 (-2.6A)
 0.98A 5dqfA-1tf0A:
46.5		 5dqfA-1tf0A:
76.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 9 LYS A 212
ASP A 324
LEU A 327
GLY A 328
LEU A 331
LEU A 347
ALA A 350
 None
DKA  A1001 (-4.7A)
DKA  A1001 (-4.1A)
DKA  A1001 ( 4.1A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
 0.74A 5dqfA-1tf0A:
46.5		 5dqfA-1tf0A:
76.63
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.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1w66 LIPOYLTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 6 TYR A  91
HIS A 157
ILE A 146
TYR A 105
 DKA  A 301 (-4.9A)
None
None
None
 1.28A 5ih0A-1w66A:
undetectable		 5ih0A-1w66A:
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.
5UAC_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 1w66 LIPOYLTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  87
PHE A 159
HIS A  83
LEU A 167
PRO A 175
 None
None
DKA  A 301 ( 4.9A)
None
None
 1.47A 5uacC-1w66A:
undetectable		 5uacC-1w66A:
11.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 ARG A 257
LEU A 260
ILE A 290
ALA A 291
GLU A 292
 DKA  A1003 (-4.1A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
None
 1.08A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 HIS A 242
LEU A 260
ILE A 290
ALA A 291
GLU A 292
 DKA  A1003 (-3.7A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
None
 0.96A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 12 LEU A 219
LEU A 238
ARG A 257
LEU A 260
ILE A 290
ALA A 291
 None
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.57A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 12 LEU A 219
LEU A 238
HIS A 242
LEU A 260
ILE A 290
ALA A 291
 None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
 0.60A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 LYS A 195
LEU A 219
LEU A 238
ARG A 257
LEU A 260
 CIT  A2001 (-4.1A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
None
 0.90A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 LYS A 195
LEU A 219
LEU A 238
HIS A 242
LEU A 260
 CIT  A2001 (-4.1A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
 1.03A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		5 / 12 LYS A 199
LEU A 219
LEU A 238
HIS A 242
LEU A 260
 CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
 1.10A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 8 ARG A 209
ALA A 213
VAL A 216
PHE A 228
SER A 232
THR A 236
GLY A 328
 DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
None
DKA  A1001 (-4.4A)
DKA  A1001 (-3.5A)
None
DKA  A1001 ( 4.1A)
 0.93A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		7 / 8 LYS A 212
ALA A 213
VAL A 216
PHE A 228
SER A 232
THR A 236
GLY A 328
 None
DKA  A1001 ( 4.0A)
None
DKA  A1001 (-4.4A)
DKA  A1001 (-3.5A)
None
DKA  A1001 ( 4.1A)
 0.50A 5v0vA-1tf0A:
46.0		 5v0vA-1tf0A:
76.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B
(Sorghum
bicolor;
Sorghum
bicolor) 		3 / 3 HIS B 414
GLU A  76
ASN A  61
 DKA  A 701 (-4.0A)
None
DKA  A 701 (-3.8A)
 0.95A 5wbvA-1gxsB:
0.0		 5wbvA-1gxsB:
19.32
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.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B
(Sorghum
bicolor;
Sorghum
bicolor) 		3 / 3 HIS B 414
GLU A  76
ASN A  61
 DKA  A 701 (-4.0A)
None
DKA  A 701 (-3.8A)
 0.96A 5wbvB-1gxsB:
0.0		 5wbvB-1gxsB:
19.32
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.
5WGG_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 1w66 LIPOYLTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 TYR A  22
ARG A  76
THR A  74
VAL A  72
VAL A  71
 None
DKA  A 301 (-3.7A)
None
None
None
 1.47A 5wggA-1w66A:
undetectable		 5wggA-1w66A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WHY_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 1w66 LIPOYLTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 TYR A  22
ARG A  76
THR A  74
VAL A  72
VAL A  71
 None
DKA  A 301 (-3.7A)
None
None
None
 1.31A 5whyA-1w66A:
undetectable		 5whyA-1w66A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WHY_B_SAMB504_0
(RADICAL SAM DOMAIN
PROTEIN)		 1w66 LIPOYLTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 10 TYR A  22
ARG A  76
THR A  74
VAL A  72
VAL A  71
 None
DKA  A 301 (-3.7A)
None
None
None
 1.48A 5whyB-1w66A:
0.2		 5whyB-1w66A:
19.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MDQ_A_TESA604_0
(SERUM ALBUMIN)		 1tf0 SERUM ALBUMIN
(Homo
sapiens) 		6 / 8 LYS A 212
ALA A 213
GLY A 328
LEU A 331
ALA A 350
GLU A 354
 None
DKA  A1001 ( 4.0A)
DKA  A1001 ( 4.1A)
None
DKA  A1002 ( 3.8A)
DKA  A1002 ( 4.4A)
 0.50A 6mdqA-1tf0A:
46.5		 6mdqA-1tf0A:
87.50