SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ce6'

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.
1A4G_B_ZMRB466_2
(NEURAMINIDASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		3 / 3 ASP A 365
ARG A 406
ILE A  95
 None
 0.83A 1a4gB-3ce6A:
undetectable		 1a4gB-3ce6A:
22.20
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.
1AFS_A_TESA325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 7 LEU A  81
THR A 437
TRP A 436
ASN A 151
 None
 1.10A 1afsA-3ce6A:
undetectable		 1afsA-3ce6A:
19.72
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.
1AFS_B_TESB325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 7 LEU A  81
THR A 437
TRP A 436
ASN A 151
 None
 1.09A 1afsB-3ce6A:
undetectable		 1afsB-3ce6A:
19.72
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.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  49
LEU A  46
ALA A 426
THR A 216
MET A 152
 None
 1.04A 1crbA-3ce6A:
undetectable		 1crbA-3ce6A:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
ASP A 156
LYS A 248
ASP A 252
LEU A 410
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
 1.35A 1d4fA-3ce6A:
54.9		 1d4fA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.49A 1d4fA-3ce6A:
54.9		 1d4fA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_A_ADNA601_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 THR A  74
GLU A 218
THR A 219
HIS A 363
HIS A 416
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
 0.76A 1d4fA-3ce6A:
54.9		 1d4fA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_B_ADNB602_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
ASP A 156
LYS A 248
ASP A 252
LEU A 410
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
 1.44A 1d4fB-3ce6A:
55.0		 1d4fB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_B_ADNB602_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 LEU A  68
HIS A  69
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 407
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.55A 1d4fB-3ce6A:
55.0		 1d4fB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_B_ADNB602_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 THR A  71
THR A  74
GLU A 218
THR A 219
HIS A 416
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.6A)
 0.80A 1d4fB-3ce6A:
55.0		 1d4fB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.45A 1d4fC-3ce6A:
54.8		 1d4fC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 407
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 1d4fC-3ce6A:
54.8		 1d4fC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_C_ADNC603_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 THR A  74
GLU A 218
THR A 219
HIS A 363
LEU A 410
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
 0.73A 1d4fC-3ce6A:
54.8		 1d4fC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_D_ADND604_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
ASP A 156
LYS A 248
ASP A 252
LEU A 410
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
 1.45A 1d4fD-3ce6A:
54.7		 1d4fD-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_D_ADND604_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.54A 1d4fD-3ce6A:
54.7		 1d4fD-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_D_ADND604_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 THR A  74
GLU A 218
THR A 219
HIS A 363
HIS A 416
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
 0.78A 1d4fD-3ce6A:
54.7		 1d4fD-3ce6A:
54.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 357
THR A 336
ILE A 361
ASN A 409
LEU A 261
 None
None
NAD  A 550 (-4.4A)
NAD  A 550 (-3.0A)
None
 1.20A 1dhfB-3ce6A:
3.5		 1dhfB-3ce6A:
17.36
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.
1FBY_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 104
ALA A 102
PHE A  31
LEU A  28
ALA A  29
 None
 1.08A 1fbyA-3ce6A:
undetectable		 1fbyA-3ce6A:
20.55
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.
1FBY_B_9CRB1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 104
ALA A 102
PHE A  31
LEU A  28
ALA A  29
 None
 1.06A 1fbyB-3ce6A:
undetectable		 1fbyB-3ce6A:
20.55
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.
1FM6_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 104
ALA A 102
PHE A  31
LEU A  28
ALA A  29
 None
 1.03A 1fm6A-3ce6A:
undetectable		 1fm6A-3ce6A:
18.88
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.
1HRK_A_CHDA1503_0
(FERROCHELATASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 449
PRO A 450
LEU A 453
 None
 0.50A 1hrkA-3ce6A:
4.7		 1hrkA-3ce6A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 9 ALA A 160
ASP A 155
ILE A  78
ILE A  64
THR A 161
 None
 1.34A 1j3jB-3ce6A:
undetectable		 1j3jB-3ce6A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_B_NOVB444_2
(DNA GYRASE SUBUNIT B)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		3 / 3 ASP A 155
PHE A 237
VAL A 164
 None
 0.78A 1kijB-3ce6A:
undetectable		 1kijB-3ce6A:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_J_FUAJ711_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 ALA A 103
VAL A 107
ALA A 104
HIS A 101
 None
 1.21A 1q23K-3ce6A:
undetectable		 1q23K-3ce6A:
17.22
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.
1V54_B_CHDB4085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.27A 1v54A-3ce6A:
0.0
1v54B-3ce6A:
0.0
1v54T-3ce6A:
0.0		 1v54A-3ce6A:
22.59
1v54B-3ce6A:
18.09
1v54T-3ce6A:
12.00
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.
1V54_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.32A 1v54G-3ce6A:
0.0
1v54N-3ce6A:
0.0
1v54O-3ce6A:
0.0		 1v54G-3ce6A:
12.00
1v54N-3ce6A:
22.59
1v54O-3ce6A:
18.09
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.
1V55_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.32A 1v55G-3ce6A:
undetectable
1v55N-3ce6A:
0.0
1v55O-3ce6A:
undetectable		 1v55G-3ce6A:
12.00
1v55N-3ce6A:
22.59
1v55O-3ce6A:
18.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.08A 1v8bA-3ce6A:
59.4		 1v8bA-3ce6A:
54.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.30A 1v8bA-3ce6A:
59.4		 1v8bA-3ce6A:
54.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.16A 1v8bB-3ce6A:
58.9		 1v8bB-3ce6A:
54.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.30A 1v8bB-3ce6A:
58.9		 1v8bB-3ce6A:
54.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_C_ADNC2502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.29A 1v8bC-3ce6A:
59.4		 1v8bC-3ce6A:
54.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.13A 1v8bD-3ce6A:
56.4		 1v8bD-3ce6A:
54.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.32A 1v8bD-3ce6A:
56.4		 1v8bD-3ce6A:
54.58
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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 PRO A 121
GLY A  66
ASP A 155
PHE A 425
SER A  67
 None
None
None
ADN  A 500 (-4.8A)
None
 1.22A 1wg8A-3ce6A:
3.9		 1wg8A-3ce6A:
22.63
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.
1XDK_E_9CRE1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 104
ALA A 102
PHE A  31
LEU A  28
ALA A  29
 None
 1.04A 1xdkE-3ce6A:
undetectable		 1xdkE-3ce6A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.04A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 363
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.78A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 363
LEU A 410
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.76A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 407
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 (-4.8A)
 1.40A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.95A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
ASP A 252
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.79A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 THR A  71
HIS A 363
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 (-2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.84A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.08A 1xwfB-3ce6A:
50.4		 1xwfB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 363
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.78A 1xwfB-3ce6A:
50.4		 1xwfB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 363
LEU A 410
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.75A 1xwfB-3ce6A:
50.4		 1xwfB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 407
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 (-4.8A)
 1.38A 1xwfB-3ce6A:
50.4		 1xwfB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.99A 1xwfB-3ce6A:
50.4		 1xwfB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
ASP A 252
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.80A 1xwfB-3ce6A:
50.4		 1xwfB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 THR A  71
HIS A 363
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 (-2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.80A 1xwfB-3ce6A:
50.4		 1xwfB-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.05A 1xwfC-3ce6A:
50.2		 1xwfC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 363
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.81A 1xwfC-3ce6A:
50.2		 1xwfC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 363
LEU A 410
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.77A 1xwfC-3ce6A:
50.2		 1xwfC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 407
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 (-4.8A)
 1.36A 1xwfC-3ce6A:
50.2		 1xwfC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.98A 1xwfC-3ce6A:
50.2		 1xwfC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
ASP A 252
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.80A 1xwfC-3ce6A:
50.2		 1xwfC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 THR A  71
HIS A 363
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 (-2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.87A 1xwfC-3ce6A:
50.2		 1xwfC-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.06A 1xwfD-3ce6A:
50.2		 1xwfD-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 363
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.83A 1xwfD-3ce6A:
50.2		 1xwfD-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 363
LEU A 410
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.80A 1xwfD-3ce6A:
50.2		 1xwfD-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 407
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 (-4.8A)
 1.37A 1xwfD-3ce6A:
50.2		 1xwfD-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 1.02A 1xwfD-3ce6A:
50.2		 1xwfD-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
ASP A 252
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.82A 1xwfD-3ce6A:
50.2		 1xwfD-3ce6A:
54.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DCF_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 MET A 352
ALA A 351
PHE A 392
GLY A 329
ILE A 328
 None
 1.33A 2dcfA-3ce6A:
undetectable		 2dcfA-3ce6A:
23.84
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.
2DYR_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.34A 2dyrG-3ce6A:
0.0
2dyrN-3ce6A:
0.0
2dyrO-3ce6A:
0.0		 2dyrG-3ce6A:
12.00
2dyrN-3ce6A:
22.59
2dyrO-3ce6A:
18.09
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.
2EIJ_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.30A 2eijG-3ce6A:
undetectable
2eijN-3ce6A:
0.0
2eijO-3ce6A:
undetectable		 2eijG-3ce6A:
12.00
2eijN-3ce6A:
22.59
2eijO-3ce6A:
18.09
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.
2EIK_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.32A 2eikG-3ce6A:
undetectable
2eikN-3ce6A:
0.0
2eikO-3ce6A:
undetectable		 2eikG-3ce6A:
12.00
2eikN-3ce6A:
22.59
2eikO-3ce6A:
18.09
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.
2EIL_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.32A 2eilG-3ce6A:
undetectable
2eilN-3ce6A:
0.0
2eilO-3ce6A:
undetectable		 2eilG-3ce6A:
12.00
2eilN-3ce6A:
22.59
2eilO-3ce6A:
18.09
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.
2EIM_N_CHDN1604_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.33A 2eimG-3ce6A:
undetectable
2eimN-3ce6A:
0.0
2eimO-3ce6A:
undetectable		 2eimG-3ce6A:
12.00
2eimN-3ce6A:
22.59
2eimO-3ce6A:
18.09
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.
2IYF_B_ERYB1399_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 301
ILE A 357
LEU A 408
ALA A 331
ASP A 263
 None
 1.43A 2iyfB-3ce6A:
undetectable		 2iyfB-3ce6A:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VN1_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 6 LEU A  68
SER A 245
ASP A 454
GLU A 218
 None
None
None
ADN  A 500 (-2.6A)
 1.34A 2vn1B-3ce6A:
undetectable		 2vn1B-3ce6A:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_G_CHDG1085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.28A 2y69G-3ce6A:
0.0
2y69N-3ce6A:
0.0
2y69O-3ce6A:
0.0		 2y69G-3ce6A:
12.61
2y69N-3ce6A:
22.59
2y69O-3ce6A:
18.09
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.
2Y69_T_CHDT1085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.28A 2y69A-3ce6A:
0.0
2y69B-3ce6A:
0.0
2y69T-3ce6A:
0.0		 2y69A-3ce6A:
22.59
2y69B-3ce6A:
18.09
2y69T-3ce6A:
12.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
 1.27A 2zj0A-3ce6A:
66.8		 2zj0A-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.18A 2zj0A-3ce6A:
66.8		 2zj0A-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
HIS A 363
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
 0.21A 2zj0A-3ce6A:
66.8		 2zj0A-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.23A 2zj0B-3ce6A:
66.7		 2zj0B-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
LEU A 407
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.42A 2zj0B-3ce6A:
66.7		 2zj0B-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 LEU A  68
GLN A  73
THR A  74
THR A 219
HIS A 363
 None
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.29A 2zj0B-3ce6A:
66.7		 2zj0B-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.31A 2zj0C-3ce6A:
66.1		 2zj0C-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.25A 2zj0C-3ce6A:
66.1		 2zj0C-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
LEU A 407
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.38A 2zj0C-3ce6A:
66.1		 2zj0C-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 LEU A  68
GLN A  73
THR A  74
THR A 219
HIS A 363
 None
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.19A 2zj0C-3ce6A:
66.1		 2zj0C-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.24A 2zj0D-3ce6A:
66.0		 2zj0D-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
 1.27A 2zj0D-3ce6A:
66.0		 2zj0D-3ce6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 LEU A  68
GLN A  73
THR A  74
THR A 219
 None
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
 0.25A 2zj0D-3ce6A:
66.0		 2zj0D-3ce6A:
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.
2ZM7_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 MET A 352
ALA A 351
PHE A 392
GLY A 329
ILE A 328
 None
 1.32A 2zm7A-3ce6A:
0.0		 2zm7A-3ce6A:
23.84
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.
2ZM8_A_ACAA512_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 MET A 352
ALA A 351
PHE A 392
GLY A 329
ILE A 328
 None
 1.33A 2zm8A-3ce6A:
undetectable		 2zm8A-3ce6A:
24.03
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.
2ZMA_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 MET A 352
ALA A 351
PHE A 392
GLY A 329
ILE A 328
 None
 1.35A 2zmaA-3ce6A:
undetectable		 2zmaA-3ce6A:
24.22
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.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 GLY A 268
GLY A 264
ASP A 263
LEU A 408
ASP A 388
ASN A 382
 None
 1.44A 2zw9B-3ce6A:
2.5		 2zw9B-3ce6A:
20.59
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.
2ZXW_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.30A 2zxwA-3ce6A:
0.0
2zxwB-3ce6A:
0.0
2zxwT-3ce6A:
0.0		 2zxwA-3ce6A:
22.59
2zxwB-3ce6A:
18.09
2zxwT-3ce6A:
12.00
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.
2ZXW_G_CHDG86_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.29A 2zxwG-3ce6A:
0.0
2zxwN-3ce6A:
0.2
2zxwO-3ce6A:
0.0		 2zxwG-3ce6A:
12.00
2zxwN-3ce6A:
22.59
2zxwO-3ce6A:
18.09
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.
3ABK_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.24A 3abkA-3ce6A:
0.4
3abkB-3ce6A:
undetectable
3abkT-3ce6A:
undetectable		 3abkA-3ce6A:
22.59
3abkB-3ce6A:
18.09
3abkT-3ce6A:
12.00
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.
3ABK_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.31A 3abkG-3ce6A:
0.0
3abkN-3ce6A:
0.0
3abkO-3ce6A:
0.0		 3abkG-3ce6A:
12.00
3abkN-3ce6A:
22.59
3abkO-3ce6A:
18.09
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.
3ABL_B_CHDB1086_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.26A 3ablA-3ce6A:
0.0
3ablB-3ce6A:
undetectable
3ablT-3ce6A:
undetectable		 3ablA-3ce6A:
22.59
3ablB-3ce6A:
18.09
3ablT-3ce6A:
12.00
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.
3ABL_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.27A 3ablG-3ce6A:
0.0
3ablN-3ce6A:
0.0
3ablO-3ce6A:
0.0		 3ablG-3ce6A:
12.00
3ablN-3ce6A:
22.59
3ablO-3ce6A:
18.09
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.
3ABM_B_CHDB1086_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.28A 3abmA-3ce6A:
0.0
3abmB-3ce6A:
undetectable
3abmT-3ce6A:
undetectable		 3abmA-3ce6A:
22.59
3abmB-3ce6A:
18.09
3abmT-3ce6A:
12.00
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.
3ABM_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.27A 3abmG-3ce6A:
0.0
3abmN-3ce6A:
0.0
3abmO-3ce6A:
0.0		 3abmG-3ce6A:
12.00
3abmN-3ce6A:
22.59
3abmO-3ce6A:
18.09
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.
3AG1_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.24A 3ag1A-3ce6A:
undetectable
3ag1B-3ce6A:
undetectable
3ag1T-3ce6A:
undetectable		 3ag1A-3ce6A:
22.59
3ag1B-3ce6A:
18.09
3ag1T-3ce6A:
12.00
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.
3AG2_G_CHDG86_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.31A 3ag2G-3ce6A:
0.0
3ag2N-3ce6A:
0.0
3ag2O-3ce6A:
0.0		 3ag2G-3ce6A:
12.00
3ag2N-3ce6A:
22.59
3ag2O-3ce6A:
18.09
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.
3AG3_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.23A 3ag3A-3ce6A:
0.0
3ag3B-3ce6A:
0.0
3ag3T-3ce6A:
0.0		 3ag3A-3ce6A:
22.59
3ag3B-3ce6A:
18.09
3ag3T-3ce6A:
12.00
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.
3AG3_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.28A 3ag3G-3ce6A:
undetectable
3ag3N-3ce6A:
undetectable
3ag3O-3ce6A:
undetectable		 3ag3G-3ce6A:
12.00
3ag3N-3ce6A:
22.59
3ag3O-3ce6A:
18.09
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.
3AG4_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.24A 3ag4A-3ce6A:
undetectable
3ag4B-3ce6A:
undetectable
3ag4T-3ce6A:
undetectable		 3ag4A-3ce6A:
22.59
3ag4B-3ce6A:
18.09
3ag4T-3ce6A:
12.00
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.
3AG4_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.30A 3ag4G-3ce6A:
0.0
3ag4N-3ce6A:
0.0
3ag4O-3ce6A:
0.0		 3ag4G-3ce6A:
12.00
3ag4N-3ce6A:
22.59
3ag4O-3ce6A:
18.09
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.
3AOD_A_MIYA2001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 8 GLY A 282
GLU A 367
ASN A 340
ILE A 306
 NAD  A 550 ( 3.7A)
None
NAD  A 550 (-3.9A)
NAD  A 550 (-4.0A)
 0.96A 3aodA-3ce6A:
undetectable		 3aodA-3ce6A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.30A 3asnA-3ce6A:
0.0
3asnB-3ce6A:
undetectable
3asnT-3ce6A:
undetectable		 3asnA-3ce6A:
22.59
3asnB-3ce6A:
18.09
3asnT-3ce6A:
12.00
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.
3ASN_G_CHDG229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.36A 3asnG-3ce6A:
0.0
3asnN-3ce6A:
0.0
3asnO-3ce6A:
0.0		 3asnG-3ce6A:
12.00
3asnN-3ce6A:
22.59
3asnO-3ce6A:
18.09
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.
3ASO_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.27A 3asoA-3ce6A:
undetectable
3asoB-3ce6A:
undetectable
3asoT-3ce6A:
undetectable		 3asoA-3ce6A:
22.59
3asoB-3ce6A:
18.09
3asoT-3ce6A:
12.00
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.
3ASO_G_CHDG229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.32A 3asoG-3ce6A:
0.0
3asoN-3ce6A:
0.0
3asoO-3ce6A:
0.0		 3asoG-3ce6A:
12.00
3asoN-3ce6A:
22.59
3asoO-3ce6A:
18.09
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.
3FAL_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ALA A 104
ALA A 102
PHE A  31
LEU A  28
ALA A  29
 None
 1.05A 3falC-3ce6A:
undetectable		 3falC-3ce6A:
19.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
ASN A 253
LEU A 407
LEU A 410
GLY A 415
HIS A 416
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 (-3.5A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-4.8A)
 0.82A 3g1uA-3ce6A:
55.4		 3g1uA-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.66A 3g1uA-3ce6A:
55.4		 3g1uA-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_A_ADNA438_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.17A 3g1uA-3ce6A:
55.4		 3g1uA-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
GLN A  73
ASP A 156
THR A 219
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.18A 3g1uB-3ce6A:
55.7		 3g1uB-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.16A 3g1uC-3ce6A:
55.5		 3g1uC-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 410
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
 1.07A 3g1uC-3ce6A:
55.5		 3g1uC-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 3g1uC-3ce6A:
55.5		 3g1uC-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
HIS A 363
HIS A 416
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
 0.12A 3g1uC-3ce6A:
55.5		 3g1uC-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
THR A 219
ASP A 252
LEU A 407
HIS A 416
 ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
 1.28A 3g1uD-3ce6A:
55.9		 3g1uD-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
ASP A 252
LEU A 410
HIS A 416
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.32A 3g1uD-3ce6A:
55.9		 3g1uD-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
THR A 219
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.24A 3g1uD-3ce6A:
55.9		 3g1uD-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_D_ADND438_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
GLU A 218
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
ADN  A 500 ( 3.7A)
 0.79A 3g1uD-3ce6A:
55.9		 3g1uD-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.31A 3glqA-3ce6A:
59.0		 3glqA-3ce6A:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.22A 3glqA-3ce6A:
59.0		 3glqA-3ce6A:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
GLU A 218
THR A 219
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.67A 3glqA-3ce6A:
59.0		 3glqA-3ce6A:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.29A 3glqB-3ce6A:
59.2		 3glqB-3ce6A:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.21A 3glqB-3ce6A:
59.2		 3glqB-3ce6A:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
GLU A 218
THR A 219
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.75A 3glqB-3ce6A:
59.2		 3glqB-3ce6A:
57.09
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 11 GLY A 282
GLY A 284
GLU A 305
ILE A 306
ASP A 307
ILE A 343
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
NAD  A 550 (-4.0A)
None
NAD  A 550 (-4.7A)
 1.15A 3grvA-3ce6A:
undetectable		 3grvA-3ce6A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 282
GLY A 284
GLU A 305
ILE A 306
ASP A 307
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
NAD  A 550 (-4.0A)
None
 0.58A 3gryA-3ce6A:
3.3		 3gryA-3ce6A:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_A_ADNA439_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		10 / 10 LEU A  68
HIS A  69
THR A  71
GLN A  73
THR A  74
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.20A 3h9uA-3ce6A:
55.8		 3h9uA-3ce6A:
56.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		10 / 10 HIS A  69
THR A  71
GLN A  73
THR A  74
ASN A 409
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.19A 3h9uB-3ce6A:
55.6		 3h9uB-3ce6A:
56.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		10 / 10 LEU A  68
HIS A  69
THR A  71
GLN A  73
THR A  74
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.14A 3h9uC-3ce6A:
56.1		 3h9uC-3ce6A:
56.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		10 / 10 LEU A  68
HIS A  69
THR A  71
GLN A  73
THR A  74
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.17A 3h9uD-3ce6A:
56.1		 3h9uD-3ce6A:
56.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB2_A_SAMA1101_1
(STRUCTURAL PROTEIN
VP3)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		3 / 3 GLU A 374
ASP A 388
ASP A 365
 None
 0.63A 3jb2A-3ce6A:
undetectable		 3jb2A-3ce6A:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A  15
ARG A  89
VAL A 107
PHE A 123
 None
 1.44A 3jx4A-3ce6A:
0.0
3jx4B-3ce6A:
0.0		 3jx4A-3ce6A:
20.78
3jx4B-3ce6A:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.31A 3n58A-3ce6A:
59.0		 3n58A-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.24A 3n58A-3ce6A:
59.0		 3n58A-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
GLU A 218
THR A 219
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.75A 3n58A-3ce6A:
59.0		 3n58A-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.37A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.15A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.22A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 (-3.7A)
 1.36A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 LEU A  68
GLN A  73
THR A  74
GLU A 218
HIS A 363
 None
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
ADN  A 500 ( 3.7A)
 0.77A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.35A 3n58D-3ce6A:
61.9		 3n58D-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.13A 3n58D-3ce6A:
61.9		 3n58D-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.33A 3n58D-3ce6A:
61.9		 3n58D-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
LEU A 410
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.26A 3n58D-3ce6A:
61.9		 3n58D-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
GLU A 218
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
ADN  A 500 ( 3.7A)
 0.85A 3n58D-3ce6A:
61.9		 3n58D-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.24A 3ondA-3ce6A:
59.7		 3ondA-3ce6A:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.50A 3ondA-3ce6A:
59.7		 3ondA-3ce6A:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.32A 3ondA-3ce6A:
59.7		 3ondA-3ce6A:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_A_ADNA506_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		3 / 3 GLN A  73
THR A  74
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 (-4.2A)
 0.73A 3ondA-3ce6A:
59.7		 3ondA-3ce6A:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.25A 3ondB-3ce6A:
57.5		 3ondB-3ce6A:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.50A 3ondB-3ce6A:
57.5		 3ondB-3ce6A:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.31A 3ondB-3ce6A:
57.5		 3ondB-3ce6A:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_B_ADNB507_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		3 / 3 GLN A  73
THR A  74
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 (-4.2A)
 0.75A 3ondB-3ce6A:
57.5		 3ondB-3ce6A:
59.52
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 368
LEU A 358
LEU A 373
ILE A 262
GLY A 264
 None
 1.14A 3ozwB-3ce6A:
4.4		 3ozwB-3ce6A:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ALA A  83
LEU A  49
ALA A 426
VAL A 242
THR A 216
 None
 1.30A 3r9cA-3ce6A:
undetectable		 3r9cA-3ce6A:
21.83
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.
3R9S_A_BEZA264_0
(CARNITINYL-COA
DEHYDRATASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 6 ALA A 160
ILE A 153
LEU A 141
ALA A  91
 None
 0.88A 3r9sA-3ce6A:
undetectable		 3r9sA-3ce6A:
19.84
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.
3R9S_C_BEZC264_0
(CARNITINYL-COA
DEHYDRATASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 6 ALA A 160
ILE A 153
LEU A 141
ALA A  91
 None
 0.81A 3r9sC-3ce6A:
undetectable		 3r9sC-3ce6A:
19.84
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.
3R9T_A_BEZA264_0
(ECHA1_1)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 8 ALA A 160
ILE A 153
LEU A 141
ALA A  91
 None
 0.72A 3r9tA-3ce6A:
undetectable		 3r9tA-3ce6A:
21.17
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.
3S43_A_478A401_2
(PROTEASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 282
ILE A 344
VAL A 334
ILE A 361
ILE A 343
 NAD  A 550 ( 3.7A)
None
None
NAD  A 550 (-4.4A)
NAD  A 550 (-4.7A)
 0.96A 3s43B-3ce6A:
undetectable		 3s43B-3ce6A:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  45
TYR A  53
LEU A  59
GLN A 428
ALA A 431
 None
 1.22A 3t7vA-3ce6A:
undetectable		 3t7vA-3ce6A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VWQ_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 MET A 352
ALA A 351
PHE A 392
GLY A 329
ILE A 328
 None
 1.36A 3vwqA-3ce6A:
undetectable		 3vwqA-3ce6A:
24.22
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.
3VWR_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 MET A 352
ALA A 351
PHE A 392
GLY A 329
ILE A 328
 None
 1.37A 3vwrA-3ce6A:
undetectable		 3vwrA-3ce6A:
24.22
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.
3W1W_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 449
PRO A 450
LEU A 453
 None
 0.47A 3w1wB-3ce6A:
4.5		 3w1wB-3ce6A:
20.12
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 6 THR A 257
ASN A 409
GLY A 264
ILE A 333
 None
NAD  A 550 (-3.0A)
None
None
 0.85A 3w9tF-3ce6A:
undetectable		 3w9tF-3ce6A:
21.00
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.
3WG7_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.36A 3wg7A-3ce6A:
0.0
3wg7B-3ce6A:
0.0
3wg7T-3ce6A:
0.0		 3wg7A-3ce6A:
22.59
3wg7B-3ce6A:
18.09
3wg7T-3ce6A:
12.00
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.
3WG7_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.37A 3wg7G-3ce6A:
0.0
3wg7N-3ce6A:
0.0
3wg7O-3ce6A:
0.0		 3wg7G-3ce6A:
12.00
3wg7N-3ce6A:
22.59
3wg7O-3ce6A:
18.09
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.
3X2Q_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.40A 3x2qA-3ce6A:
0.0
3x2qB-3ce6A:
undetectable
3x2qT-3ce6A:
undetectable		 3x2qA-3ce6A:
22.59
3x2qB-3ce6A:
18.09
3x2qT-3ce6A:
12.00
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.
3X2Q_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.42A 3x2qG-3ce6A:
0.0
3x2qN-3ce6A:
0.0
3x2qO-3ce6A:
0.0		 3x2qG-3ce6A:
12.00
3x2qN-3ce6A:
22.59
3x2qO-3ce6A:
18.09
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.
4C9P_B_CAMB423_0
(CYTOCHROME P450)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 THR A 269
LEU A 402
LEU A 408
GLY A 359
VAL A 278
 None
 1.21A 4c9pB-3ce6A:
undetectable		 4c9pB-3ce6A:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.11A 4lvcA-3ce6A:
61.1		 4lvcA-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.51A 4lvcA-3ce6A:
61.1		 4lvcA-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_A_ADNA501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
HIS A 363
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
 0.59A 4lvcA-3ce6A:
61.1		 4lvcA-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_B_ADNB501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
 1.26A 4lvcB-3ce6A:
59.2		 4lvcB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_B_ADNB501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
HIS A 363
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 4lvcB-3ce6A:
59.2		 4lvcB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
LEU A 407
LEU A 410
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
 0.61A 4lvcB-3ce6A:
59.2		 4lvcB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.16A 4lvcC-3ce6A:
61.0		 4lvcC-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.51A 4lvcC-3ce6A:
61.0		 4lvcC-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_C_ADNC501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
HIS A 363
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
 0.61A 4lvcC-3ce6A:
61.0		 4lvcC-3ce6A:
58.92
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.
4MM8_A_RFXA603_1
(TRANSPORTER)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 365
TYR A 133
GLY A 362
GLY A 411
ASP A 159
 None
None
NAD  A 550 (-3.5A)
None
None
 1.19A 4mm8A-3ce6A:
undetectable		 4mm8A-3ce6A:
22.63
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.
4O4D_A_ACTA406_0
(INOSITOL
HEXAKISPHOSPHATE
KINASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 7 TRP A 390
THR A 379
PHE A 392
SER A 398
 None
 1.49A 4o4dA-3ce6A:
undetectable		 4o4dA-3ce6A:
18.46
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.
4P6X_A_HCYA900_1
(GLUCOCORTICOID
RECEPTOR)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 358
GLY A 405
LEU A 373
THR A 269
ILE A 265
 None
 1.41A 4p6xA-3ce6A:
undetectable		 4p6xA-3ce6A:
19.47
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.
4P6X_E_HCYE900_1
(GLUCOCORTICOID
RECEPTOR)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 358
GLY A 405
LEU A 373
THR A 269
ILE A 265
 None
 1.36A 4p6xE-3ce6A:
undetectable		 4p6xE-3ce6A:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
 1.45A 4pfjA-3ce6A:
57.9		 4pfjA-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.55A 4pfjA-3ce6A:
57.9		 4pfjA-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 7 THR A  74
THR A 219
HIS A 363
LEU A 407
ASN A 409
SER A 424
 ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.5A)
 0.23A 4pfjA-3ce6A:
57.9		 4pfjA-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 218
LYS A 248
ASP A 252
LEU A 407
HIS A 416
 ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
 1.32A 4pfjB-3ce6A:
56.0		 4pfjB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.53A 4pfjB-3ce6A:
56.0		 4pfjB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		10 / 12 HIS A  69
THR A  71
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.59A 4pfjB-3ce6A:
56.0		 4pfjB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 6 THR A  74
GLN A  99
THR A 219
HIS A 363
ASN A 409
 ADN  A 500 (-4.5A)
None
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-3.0A)
 0.24A 4pfjB-3ce6A:
56.0		 4pfjB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
ASN A 409
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.57A 4pgfA-3ce6A:
57.4		 4pgfA-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 6 THR A  71
THR A  74
THR A 219
HIS A 363
LEU A 410
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
 0.23A 4pgfA-3ce6A:
57.4		 4pgfA-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 218
LYS A 248
ASP A 252
LEU A 407
HIS A 416
 ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
 1.35A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		10 / 12 HIS A  69
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.57A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 HIS A  69
GLU A 218
LYS A 248
ASP A 252
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.67A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 THR A  71
THR A  74
THR A 219
HIS A 363
ASN A 409
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-3.0A)
 0.32A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A 219
THR A 220
THR A 336
ASN A 409
 NAD  A 550 ( 2.8A)
NAD  A 550 (-3.1A)
None
NAD  A 550 (-3.0A)
 1.36A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A 221
THR A 219
THR A 257
ASN A 360
 NAD  A 550 (-3.7A)
NAD  A 550 ( 2.8A)
None
None
 1.31A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A 257
THR A 221
HIS A 363
ASN A 360
 None
NAD  A 550 (-3.7A)
ADN  A 500 ( 3.7A)
None
 1.06A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
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.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 6 TRP A  90
LEU A  59
THR A 216
VAL A 242
 None
 1.11A 4udaA-3ce6A:
undetectable		 4udaA-3ce6A:
18.35
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.
5ADD_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A  15
ARG A  89
VAL A 107
PHE A 123
 None
 1.39A 5addA-3ce6A:
undetectable
5addB-3ce6A:
undetectable		 5addA-3ce6A:
20.78
5addB-3ce6A:
20.78
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.
5ADE_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A  15
ARG A  89
VAL A 107
PHE A 123
 None
 1.42A 5adeA-3ce6A:
undetectable
5adeB-3ce6A:
undetectable		 5adeA-3ce6A:
20.78
5adeB-3ce6A:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXA_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.13A 5axaA-3ce6A:
56.4		 5axaA-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXA_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.50A 5axaA-3ce6A:
56.4		 5axaA-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXA_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.14A 5axaC-3ce6A:
56.3		 5axaC-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXA_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.51A 5axaC-3ce6A:
56.3		 5axaC-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.23A 5axdA-3ce6A:
56.4		 5axdA-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.52A 5axdA-3ce6A:
56.4		 5axdA-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.31A 5axdA-3ce6A:
56.4		 5axdA-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
THR A 219
LYS A 248
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
NAD  A 550 (-4.2A)
 1.23A 5axdC-3ce6A:
56.3		 5axdC-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.52A 5axdC-3ce6A:
56.3		 5axdC-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.32A 5axdC-3ce6A:
56.3		 5axdC-3ce6A:
55.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.37A 5b1aA-3ce6A:
0.0
5b1aB-3ce6A:
undetectable
5b1aT-3ce6A:
undetectable		 5b1aA-3ce6A:
22.59
5b1aB-3ce6A:
18.09
5b1aT-3ce6A:
12.00
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.
5B1A_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.38A 5b1aG-3ce6A:
0.0
5b1aN-3ce6A:
0.0
5b1aO-3ce6A:
0.0		 5b1aG-3ce6A:
12.00
5b1aN-3ce6A:
22.59
5b1aO-3ce6A:
18.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 (-3.7A)
 1.31A 5hm8A-3ce6A:
53.6		 5hm8A-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.05A 5hm8A-3ce6A:
53.6		 5hm8A-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.23A 5hm8A-3ce6A:
53.6		 5hm8A-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A  74
GLU A 218
THR A 219
LEU A 407
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 1.02A 5hm8A-3ce6A:
53.6		 5hm8A-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_B_ADNB501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 (-3.7A)
 1.31A 5hm8B-3ce6A:
53.7		 5hm8B-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_B_ADNB501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.06A 5hm8B-3ce6A:
53.7		 5hm8B-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_B_ADNB501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.22A 5hm8B-3ce6A:
53.7		 5hm8B-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_B_ADNB501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A  74
GLU A 218
THR A 219
LEU A 407
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 1.02A 5hm8B-3ce6A:
53.7		 5hm8B-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_C_ADNC501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 (-3.7A)
 1.31A 5hm8C-3ce6A:
54.3		 5hm8C-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_C_ADNC501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.06A 5hm8C-3ce6A:
54.3		 5hm8C-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_C_ADNC501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.22A 5hm8C-3ce6A:
54.3		 5hm8C-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_C_ADNC501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A  74
GLU A 218
THR A 219
LEU A 407
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 1.01A 5hm8C-3ce6A:
54.3		 5hm8C-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_D_ADND501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 (-3.7A)
 1.31A 5hm8D-3ce6A:
53.8		 5hm8D-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_D_ADND501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.05A 5hm8D-3ce6A:
53.8		 5hm8D-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_D_ADND501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.23A 5hm8D-3ce6A:
53.8		 5hm8D-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_D_ADND501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A  74
GLU A 218
THR A 219
LEU A 407
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 1.02A 5hm8D-3ce6A:
53.8		 5hm8D-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_E_ADNE501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 (-3.7A)
 1.31A 5hm8E-3ce6A:
51.9		 5hm8E-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_E_ADNE501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.05A 5hm8E-3ce6A:
51.9		 5hm8E-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_E_ADNE501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.22A 5hm8E-3ce6A:
51.9		 5hm8E-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_E_ADNE501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A  74
GLU A 218
THR A 219
LEU A 407
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 1.02A 5hm8E-3ce6A:
51.9		 5hm8E-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_F_ADNF501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 (-3.7A)
 1.31A 5hm8F-3ce6A:
36.7		 5hm8F-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_F_ADNF501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.05A 5hm8F-3ce6A:
36.7		 5hm8F-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_F_ADNF501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.22A 5hm8F-3ce6A:
36.7		 5hm8F-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_F_ADNF501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A  74
GLU A 218
THR A 219
LEU A 407
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 1.02A 5hm8F-3ce6A:
36.7		 5hm8F-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_G_ADNG501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 (-3.7A)
 1.31A 5hm8G-3ce6A:
53.6		 5hm8G-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_G_ADNG501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.05A 5hm8G-3ce6A:
53.6		 5hm8G-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_G_ADNG501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.23A 5hm8G-3ce6A:
53.6		 5hm8G-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_G_ADNG501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A  74
GLU A 218
THR A 219
LEU A 407
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 0.93A 5hm8G-3ce6A:
53.6		 5hm8G-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_H_ADNH501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 (-3.7A)
 1.31A 5hm8H-3ce6A:
54.3		 5hm8H-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_H_ADNH501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.05A 5hm8H-3ce6A:
54.3		 5hm8H-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_H_ADNH501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.23A 5hm8H-3ce6A:
54.3		 5hm8H-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_H_ADNH501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 THR A  74
GLU A 218
THR A 219
LEU A 407
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 1.02A 5hm8H-3ce6A:
54.3		 5hm8H-3ce6A:
49.14
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.
5IY5_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.25A 5iy5G-3ce6A:
0.0
5iy5N-3ce6A:
0.0
5iy5O-3ce6A:
0.0		 5iy5G-3ce6A:
12.30
5iy5N-3ce6A:
22.59
5iy5O-3ce6A:
18.09
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.
5IY5_T_CHDT103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.26A 5iy5A-3ce6A:
0.0
5iy5B-3ce6A:
0.0
5iy5T-3ce6A:
0.0		 5iy5A-3ce6A:
22.59
5iy5B-3ce6A:
18.09
5iy5T-3ce6A:
12.30
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.
5JW1_A_CELA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A 420
LEU A 261
SER A 260
ILE A 265
 None
None
NAD  A 550 ( 4.9A)
None
 1.06A 5jw1A-3ce6A:
undetectable		 5jw1A-3ce6A:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.12A 5m5kA-3ce6A:
60.4		 5m5kA-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.49A 5m5kA-3ce6A:
60.4		 5m5kA-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 0.69A 5m5kA-3ce6A:
60.4		 5m5kA-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.33A 5m5kB-3ce6A:
60.5		 5m5kB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.57A 5m5kB-3ce6A:
60.5		 5m5kB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
LEU A 407
LEU A 410
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
 0.65A 5m5kB-3ce6A:
60.5		 5m5kB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.14A 5m5kC-3ce6A:
57.5		 5m5kC-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.50A 5m5kC-3ce6A:
57.5		 5m5kC-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 0.68A 5m5kC-3ce6A:
57.5		 5m5kC-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.29A 5m66A-3ce6A:
60.8		 5m66A-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.21A 5m66A-3ce6A:
60.8		 5m66A-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.20A 5m66A-3ce6A:
60.8		 5m66A-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
GLU A 218
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 (-4.2A)
 1.07A 5m66A-3ce6A:
60.8		 5m66A-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.15A 5m66B-3ce6A:
60.9		 5m66B-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 5m66B-3ce6A:
60.9		 5m66B-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 0.65A 5m66B-3ce6A:
60.9		 5m66B-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.21A 5m66C-3ce6A:
61.1		 5m66C-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
GLN A  73
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.17A 5m66C-3ce6A:
61.1		 5m66C-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.30A 5m66C-3ce6A:
61.1		 5m66C-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
 1.39A 5m66D-3ce6A:
60.4		 5m66D-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
GLN A  73
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.51A 5m66D-3ce6A:
60.4		 5m66D-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 (-3.7A)
 1.33A 5m66D-3ce6A:
60.4		 5m66D-3ce6A:
58.92
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.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 8 THR A 338
ASP A 252
VAL A 223
GLY A 222
 NAD  A 550 (-4.1A)
ADN  A 500 (-2.7A)
None
None
 0.91A 5nzyA-3ce6A:
2.8		 5nzyA-3ce6A:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_F_ADNF503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 (-3.7A)
 1.31A 5utuF-3ce6A:
54.0		 5utuF-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_F_ADNF503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.27A 5utuF-3ce6A:
54.0		 5utuF-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_H_ADNH503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 (-3.7A)
 1.31A 5utuH-3ce6A:
54.3		 5utuH-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_H_ADNH503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.22A 5utuH-3ce6A:
54.3		 5utuH-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.15A 5v96A-3ce6A:
60.4		 5v96A-3ce6A:
58.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 5v96A-3ce6A:
60.4		 5v96A-3ce6A:
58.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_B_ADNB502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.17A 5v96B-3ce6A:
60.6		 5v96B-3ce6A:
58.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_B_ADNB502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.53A 5v96B-3ce6A:
60.6		 5v96B-3ce6A:
58.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_C_ADNC502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.14A 5v96C-3ce6A:
60.7		 5v96C-3ce6A:
58.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_C_ADNC502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 5v96C-3ce6A:
60.7		 5v96C-3ce6A:
58.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_D_ADND502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.13A 5v96D-3ce6A:
60.5		 5v96D-3ce6A:
58.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_D_ADND502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.53A 5v96D-3ce6A:
60.5		 5v96D-3ce6A:
58.12
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.
5WAU_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.36A 5wauA-3ce6A:
0.0
5wauB-3ce6A:
0.0
5waug-3ce6A:
0.0		 5wauA-3ce6A:
22.59
5wauB-3ce6A:
18.09
5waug-3ce6A:
12.00
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.
5WAU_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.45A 5wauG-3ce6A:
0.0
5waua-3ce6A:
0.0
5waub-3ce6A:
0.0		 5wauG-3ce6A:
12.00
5waua-3ce6A:
22.59
5waub-3ce6A:
18.09
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.
5X19_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.26A 5x19A-3ce6A:
0.0
5x19B-3ce6A:
0.0
5x19T-3ce6A:
0.0		 5x19A-3ce6A:
22.59
5x19B-3ce6A:
18.09
5x19T-3ce6A:
12.00
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.
5X19_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.30A 5x19G-3ce6A:
0.0
5x19N-3ce6A:
0.0
5x19O-3ce6A:
0.0		 5x19G-3ce6A:
12.00
5x19N-3ce6A:
22.59
5x19O-3ce6A:
18.09
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.
5X1B_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.32A 5x1bA-3ce6A:
0.2
5x1bB-3ce6A:
0.0
5x1bT-3ce6A:
0.0		 5x1bA-3ce6A:
22.59
5x1bB-3ce6A:
18.09
5x1bT-3ce6A:
12.00
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.
5X1B_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.29A 5x1bG-3ce6A:
0.0
5x1bN-3ce6A:
0.0
5x1bO-3ce6A:
0.0		 5x1bG-3ce6A:
12.00
5x1bN-3ce6A:
22.59
5x1bO-3ce6A:
18.09
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.
5X1F_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.31A 5x1fA-3ce6A:
0.2
5x1fB-3ce6A:
0.0
5x1fT-3ce6A:
0.0		 5x1fA-3ce6A:
22.59
5x1fB-3ce6A:
18.09
5x1fT-3ce6A:
12.00
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.
5X1F_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.31A 5x1fG-3ce6A:
0.0
5x1fN-3ce6A:
0.0
5x1fO-3ce6A:
0.0		 5x1fG-3ce6A:
12.00
5x1fN-3ce6A:
22.59
5x1fO-3ce6A:
18.09
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.
5XDQ_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.34A 5xdqA-3ce6A:
0.0
5xdqB-3ce6A:
0.0
5xdqT-3ce6A:
0.0		 5xdqA-3ce6A:
22.59
5xdqB-3ce6A:
18.09
5xdqT-3ce6A:
12.00
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.
5XDQ_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.35A 5xdqG-3ce6A:
0.0
5xdqN-3ce6A:
0.0
5xdqO-3ce6A:
0.0		 5xdqG-3ce6A:
12.00
5xdqN-3ce6A:
22.59
5xdqO-3ce6A:
18.09
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.
5XDX_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.35A 5xdxA-3ce6A:
0.0
5xdxB-3ce6A:
0.0
5xdxT-3ce6A:
0.0		 5xdxA-3ce6A:
22.59
5xdxB-3ce6A:
18.09
5xdxT-3ce6A:
12.00
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.
5XDX_O_CHDO301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.35A 5xdxG-3ce6A:
0.0
5xdxN-3ce6A:
0.0
5xdxO-3ce6A:
0.0		 5xdxG-3ce6A:
12.00
5xdxN-3ce6A:
22.59
5xdxO-3ce6A:
18.09
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.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 104
ALA A 102
PHE A  31
LEU A  28
ALA A  29
 None
 1.03A 5z12C-3ce6A:
undetectable		 5z12C-3ce6A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.35A 5z84A-3ce6A:
0.0
5z84B-3ce6A:
0.0
5z84T-3ce6A:
0.0		 5z84A-3ce6A:
22.59
5z84B-3ce6A:
18.09
5z84T-3ce6A:
12.00
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.
5Z84_G_CHDG101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.35A 5z84G-3ce6A:
0.0
5z84N-3ce6A:
0.0
5z84O-3ce6A:
0.0		 5z84G-3ce6A:
12.00
5z84N-3ce6A:
22.59
5z84O-3ce6A:
18.09
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.
5Z85_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.37A 5z85G-3ce6A:
0.0
5z85N-3ce6A:
0.0
5z85O-3ce6A:
0.0		 5z85G-3ce6A:
12.00
5z85N-3ce6A:
22.59
5z85O-3ce6A:
18.09
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.
5Z85_T_CHDT101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.34A 5z85A-3ce6A:
0.0
5z85B-3ce6A:
0.0
5z85T-3ce6A:
0.0		 5z85A-3ce6A:
22.59
5z85B-3ce6A:
18.09
5z85T-3ce6A:
12.00
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.
5Z86_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.34A 5z86A-3ce6A:
0.0
5z86B-3ce6A:
0.0
5z86T-3ce6A:
0.0		 5z86A-3ce6A:
22.59
5z86B-3ce6A:
18.09
5z86T-3ce6A:
12.00
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.
5Z86_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.36A 5z86G-3ce6A:
0.0
5z86N-3ce6A:
0.0
5z86O-3ce6A:
0.0		 5z86G-3ce6A:
12.00
5z86N-3ce6A:
22.59
5z86O-3ce6A:
18.09
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.
5ZCO_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.36A 5zcoA-3ce6A:
0.0
5zcoB-3ce6A:
0.0
5zcoT-3ce6A:
0.0		 5zcoA-3ce6A:
22.59
5zcoB-3ce6A:
18.09
5zcoT-3ce6A:
12.00
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.
5ZCO_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.36A 5zcoG-3ce6A:
0.0
5zcoN-3ce6A:
0.0
5zcoO-3ce6A:
0.0		 5zcoG-3ce6A:
12.00
5zcoN-3ce6A:
22.59
5zcoO-3ce6A:
18.09
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.
5ZCP_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.36A 5zcpA-3ce6A:
0.0
5zcpB-3ce6A:
0.0
5zcpT-3ce6A:
0.0		 5zcpA-3ce6A:
22.59
5zcpB-3ce6A:
18.09
5zcpT-3ce6A:
12.00
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.
5ZCP_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.35A 5zcpG-3ce6A:
0.0
5zcpN-3ce6A:
0.0
5zcpO-3ce6A:
0.0		 5zcpG-3ce6A:
12.00
5zcpN-3ce6A:
22.59
5zcpO-3ce6A:
18.09
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.
5ZCQ_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.36A 5zcqA-3ce6A:
0.0
5zcqB-3ce6A:
0.0
5zcqT-3ce6A:
0.0		 5zcqA-3ce6A:
22.59
5zcqB-3ce6A:
18.09
5zcqT-3ce6A:
12.00
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.
5ZCQ_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.38A 5zcqG-3ce6A:
0.0
5zcqN-3ce6A:
0.0
5zcqO-3ce6A:
0.0		 5zcqG-3ce6A:
12.00
5zcqN-3ce6A:
22.59
5zcqO-3ce6A:
18.09
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.
5ZWR_A_9KLA402_0
(EST-Y29)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 LYS A 456
TYR A  53
ILE A 433
GLY A  45
LEU A  77
 None
 1.22A 5zwrA-3ce6A:
undetectable		 5zwrA-3ce6A:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.36A 6aphA-3ce6A:
56.3		 6aphA-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 6aphA-3ce6A:
56.3		 6aphA-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
HIS A 363
LEU A 410
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
 0.20A 6aphA-3ce6A:
56.3		 6aphA-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 HIS A  69
THR A  71
GLN A  73
THR A  74
ASP A 252
ASN A 409
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.7A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.26A 6exiA-3ce6A:
59.6		 6exiA-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		8 / 12 HIS A  69
THR A  71
GLN A  73
THR A  74
HIS A 363
LEU A 410
GLY A 415
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-4.8A)
 1.00A 6exiA-3ce6A:
59.6		 6exiA-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		7 / 10 GLY A 282
GLY A 284
GLU A 305
ASP A 307
THR A 338
ASN A 340
ILE A 343
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
None
NAD  A 550 (-4.1A)
NAD  A 550 (-3.9A)
NAD  A 550 (-4.7A)
 0.16A 6exiA-3ce6A:
59.6		 6exiA-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_A_ADNA503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 472
GLN A 476
LYS A 489
 None
 0.35A 6exiB-3ce6A:
55.7		 6exiB-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_B_ADNB502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		7 / 12 HIS A  69
THR A  71
GLN A  73
THR A  74
HIS A 363
LEU A 410
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-4.8A)
 1.03A 6exiB-3ce6A:
55.7		 6exiB-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_B_ADNB502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 HIS A  69
THR A  71
GLN A  73
THR A  74
LYS A 248
ASP A 252
ASN A 409
LEU A 410
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.66A 6exiB-3ce6A:
55.7		 6exiB-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_B_ADNB503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 472
GLN A 476
LYS A 489
 None
 0.39A 6exiA-3ce6A:
59.6		 6exiA-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_B_ADNB503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		7 / 10 GLY A 282
GLY A 284
GLU A 305
ASP A 307
THR A 338
ASN A 340
ILE A 343
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
None
NAD  A 550 (-4.1A)
NAD  A 550 (-3.9A)
NAD  A 550 (-4.7A)
 0.19A 6exiB-3ce6A:
55.7		 6exiB-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  68
GLN A  73
THR A  74
ASP A 252
ASN A 253
MET A 421
 None
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.7A)
NAD  A 550 (-3.5A)
ADN  A 500 (-3.7A)
 0.83A 6exiC-3ce6A:
56.8		 6exiC-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		10 / 12 LEU A  68
HIS A  69
THR A  71
GLN A  73
THR A  74
ASP A 252
ASN A 409
LEU A 410
HIS A 416
MET A 421
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.7A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.27A 6exiC-3ce6A:
56.8		 6exiC-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		7 / 12 LEU A  68
HIS A  69
THR A  71
GLN A  73
THR A  74
HIS A 363
LEU A 410
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
 0.99A 6exiC-3ce6A:
56.8		 6exiC-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		7 / 12 GLY A 282
GLY A 284
GLU A 305
ASP A 307
THR A 338
ASN A 340
ILE A 343
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
None
NAD  A 550 (-4.1A)
NAD  A 550 (-3.9A)
NAD  A 550 (-4.7A)
 0.18A 6exiC-3ce6A:
56.8
6exiD-3ce6A:
55.9		 6exiC-3ce6A:
60.71
6exiD-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		11 / 12 HIS A  69
THR A  71
GLN A  73
THR A  74
ASP A 252
ASN A 409
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.7A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.33A 6exiD-3ce6A:
55.9		 6exiD-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		9 / 12 HIS A  69
THR A  71
GLN A  73
THR A  74
HIS A 363
LEU A 410
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 1.06A 6exiD-3ce6A:
55.9		 6exiD-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_D_ADND503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		7 / 12 GLY A 282
GLY A 284
GLU A 305
ASP A 307
THR A 338
ASN A 340
ILE A 343
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
None
NAD  A 550 (-4.1A)
NAD  A 550 (-3.9A)
NAD  A 550 (-4.7A)
 0.19A 6exiC-3ce6A:
56.8
6exiD-3ce6A:
55.9		 6exiC-3ce6A:
60.71
6exiD-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.27A 6f3mA-3ce6A:
52.8		 6f3mA-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
HIS A 363
LEU A 407
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.54A 6f3mA-3ce6A:
52.8		 6f3mA-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
 1.26A 6f3mA-3ce6A:
52.8		 6f3mA-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
LEU A 410
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 4.8A)
 0.11A 6f3mA-3ce6A:
52.8		 6f3mA-3ce6A:
49.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.18A 6f3mB-3ce6A:
52.2		 6f3mB-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.51A 6f3mB-3ce6A:
52.2		 6f3mB-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
 1.26A 6f3mB-3ce6A:
52.2		 6f3mB-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 0.59A 6f3mB-3ce6A:
52.2		 6f3mB-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.30A 6f3mC-3ce6A:
52.2		 6f3mC-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
HIS A 363
LEU A 407
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.54A 6f3mC-3ce6A:
52.2		 6f3mC-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
 1.25A 6f3mC-3ce6A:
52.2		 6f3mC-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
LEU A 410
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 4.8A)
 0.11A 6f3mC-3ce6A:
52.2		 6f3mC-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.19A 6f3mD-3ce6A:
52.3		 6f3mD-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
HIS A 363
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 6f3mD-3ce6A:
52.3		 6f3mD-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
 1.25A 6f3mD-3ce6A:
52.3		 6f3mD-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 GLN A  73
THR A  74
THR A 219
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
 0.60A 6f3mD-3ce6A:
52.3		 6f3mD-3ce6A:
48.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.19A 6f3nA-3ce6A:
52.3		 6f3nA-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.27A 6f3nA-3ce6A:
52.3		 6f3nA-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 6f3nA-3ce6A:
52.3		 6f3nA-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.12A 6f3nA-3ce6A:
52.3		 6f3nA-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.30A 6f3nB-3ce6A:
52.3		 6f3nB-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 6f3nB-3ce6A:
52.3		 6f3nB-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.30A 6f3nB-3ce6A:
52.3		 6f3nB-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
HIS A 363
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
 0.62A 6f3nB-3ce6A:
52.3		 6f3nB-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.19A 6f3nC-3ce6A:
52.4		 6f3nC-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		6 / 12 HIS A  69
ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.46A 6f3nC-3ce6A:
52.4		 6f3nC-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.55A 6f3nC-3ce6A:
52.4		 6f3nC-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A  69
THR A  74
ASP A 156
ASP A 252
LEU A 410
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
 1.41A 6f3nC-3ce6A:
52.4		 6f3nC-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.11A 6f3nC-3ce6A:
52.4		 6f3nC-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.18A 6f3nD-3ce6A:
52.9		 6f3nD-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.28A 6f3nD-3ce6A:
52.9		 6f3nD-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 6f3nD-3ce6A:
52.9		 6f3nD-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 4 GLN A  73
THR A  74
THR A 219
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.12A 6f3nD-3ce6A:
52.9		 6f3nD-3ce6A:
49.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.14A 6gbnA-3ce6A:
55.5		 6gbnA-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.51A 6gbnA-3ce6A:
55.5		 6gbnA-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
HIS A 363
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
 0.62A 6gbnA-3ce6A:
55.5		 6gbnA-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_B_ADNB501_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.59A 6gbnB-3ce6A:
58.1		 6gbnB-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_B_ADNB501_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
HIS A 363
LEU A 410
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
 0.18A 6gbnB-3ce6A:
58.1		 6gbnB-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.15A 6gbnC-3ce6A:
55.7		 6gbnC-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.59A 6gbnC-3ce6A:
55.7		 6gbnC-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
HIS A 363
GLY A 415
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
 0.19A 6gbnC-3ce6A:
55.7		 6gbnC-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.14A 6gbnD-3ce6A:
55.0		 6gbnD-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_1
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		12 / 12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.51A 6gbnD-3ce6A:
55.0		 6gbnD-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_2
(-)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		5 / 5 GLN A  73
THR A  74
THR A 219
HIS A 363
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
 0.61A 6gbnD-3ce6A:
55.0		 6gbnD-3ce6A:
54.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GH9_A_MIXA1003_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 3ce6 ADENOSYLHOMOCYSTEINA
SE
(Mycobacterium
tuberculosis) 		4 / 5 ASN A  94
GLY A 339
HIS A 363
ASP A 156
 None
NAD  A 550 (-3.3A)
ADN  A 500 ( 3.7A)
ADN  A 500 (-2.9A)
 1.01A 6gh9A-3ce6A:
undetectable		 6gh9A-3ce6A:
11.32