SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3n58'

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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 ASP A 339
ARG A 377
ILE A  81
 None
 0.65A 1a4gB-3n58A:
undetectable		 1a4gB-3n58A:
21.15
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.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 LEU A  70
LEU A  67
LEU A  32
LYS A 427
ILE A 404
 None
 1.03A 1crbA-3n58A:
undetectable		 1crbA-3n58A:
19.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.35A 1d4fA-3n58A:
56.9		 1d4fA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.44A 1d4fA-3n58A:
56.9		 1d4fA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 THR A  60
GLU A 192
THR A 193
HIS A 337
HIS A 387
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.4A)
 0.58A 1d4fA-3n58A:
56.9		 1d4fA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.42A 1d4fB-3n58A:
57.0		 1d4fB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 LEU A  54
HIS A  55
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.47A 1d4fB-3n58A:
57.0		 1d4fB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 THR A  57
THR A  60
GLU A 192
THR A 193
HIS A 387
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-3.4A)
 0.59A 1d4fB-3n58A:
57.0		 1d4fB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.41A 1d4fC-3n58A:
56.9		 1d4fC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 378
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.48A 1d4fC-3n58A:
56.9		 1d4fC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 THR A  60
GLU A 192
THR A 193
HIS A 337
LEU A 381
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
 0.58A 1d4fC-3n58A:
56.9		 1d4fC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.47A 1d4fD-3n58A:
56.7		 1d4fD-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 THR A  60
GLU A 192
THR A 193
HIS A 337
HIS A 387
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.4A)
 0.58A 1d4fD-3n58A:
56.7		 1d4fD-3n58A:
58.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 11 GLY A 149
ALA A 148
GLY A 143
ILE A 142
PRO A 210
 None
 0.95A 1hxwB-3n58A:
undetectable		 1hxwB-3n58A:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QKT_A_ESTA600_1
(ESTRADIOL RECEPTOR)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 10 MET A  29
LEU A  32
ALA A  35
LEU A  70
LEU A  67
 None
 1.43A 1qktA-3n58A:
undetectable		 1qktA-3n58A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.16A 1v54A-3n58A:
undetectable
1v54C-3n58A:
undetectable		 1v54A-3n58A:
21.15
1v54C-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.17A 1v54N-3n58A:
undetectable
1v54P-3n58A:
undetectable		 1v54N-3n58A:
21.15
1v54P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 1v55A-3n58A:
undetectable
1v55C-3n58A:
undetectable		 1v55A-3n58A:
21.15
1v55C-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 1v55C-3n58A:
undetectable
1v55N-3n58A:
undetectable
1v55P-3n58A:
undetectable		 1v55C-3n58A:
20.40
1v55N-3n58A:
21.15
1v55P-3n58A:
20.40
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.37A 1v8bA-3n58A:
30.0		 1v8bA-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.21A 1v8bA-3n58A:
30.0		 1v8bA-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.29A 1v8bA-3n58A:
30.0		 1v8bA-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.36A 1v8bB-3n58A:
29.8		 1v8bB-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.27A 1v8bB-3n58A:
29.8		 1v8bB-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.28A 1v8bB-3n58A:
29.8		 1v8bB-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.20A 1v8bC-3n58A:
57.8		 1v8bC-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.27A 1v8bC-3n58A:
57.8		 1v8bC-3n58A:
54.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.61A 1v8bC-3n58A:
57.8		 1v8bC-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.36A 1v8bD-3n58A:
30.3		 1v8bD-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.19A 1v8bD-3n58A:
30.3		 1v8bD-3n58A:
54.07
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.31A 1v8bD-3n58A:
30.3		 1v8bD-3n58A:
54.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 PRO A  98
GLY A  52
ASP A 131
PHE A 396
SER A  53
 None
 1.22A 1wg8A-3n58A:
4.1		 1wg8A-3n58A:
21.28
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 1.04A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
HIS A 337
LEU A 381
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 1.00A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  57
HIS A 337
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.96A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A 337
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.76A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 378
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
None
 1.33A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.89A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
ASP A 226
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.74A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
 ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
 0.96A 1xwfB-3n58A:
52.7		 1xwfB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
HIS A 337
LEU A 381
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.98A 1xwfB-3n58A:
52.7		 1xwfB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  57
HIS A 337
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.92A 1xwfB-3n58A:
52.7		 1xwfB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A 337
LEU A 378
LEU A 381
GLY A 386
MET A 392
 ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
 0.67A 1xwfB-3n58A:
52.7		 1xwfB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 378
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
None
 1.31A 1xwfB-3n58A:
52.7		 1xwfB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.93A 1xwfB-3n58A:
52.7		 1xwfB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
ASP A 226
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.76A 1xwfB-3n58A:
52.7		 1xwfB-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
 ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
 0.94A 1xwfC-3n58A:
52.5		 1xwfC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
HIS A 337
LEU A 381
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 1.02A 1xwfC-3n58A:
52.5		 1xwfC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  57
HIS A 337
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.97A 1xwfC-3n58A:
52.5		 1xwfC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A 337
LEU A 378
LEU A 381
GLY A 386
MET A 392
 ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
 0.69A 1xwfC-3n58A:
52.5		 1xwfC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 378
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
None
 1.30A 1xwfC-3n58A:
52.5		 1xwfC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.92A 1xwfC-3n58A:
52.5		 1xwfC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
ASP A 226
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.76A 1xwfC-3n58A:
52.5		 1xwfC-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
 ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
 0.95A 1xwfD-3n58A:
52.5		 1xwfD-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
HIS A 337
LEU A 381
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 1.04A 1xwfD-3n58A:
52.5		 1xwfD-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  57
HIS A 337
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.98A 1xwfD-3n58A:
52.5		 1xwfD-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A 337
LEU A 378
LEU A 381
GLY A 386
MET A 392
 ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
 0.72A 1xwfD-3n58A:
52.5		 1xwfD-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 378
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
None
 1.30A 1xwfD-3n58A:
52.5		 1xwfD-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.96A 1xwfD-3n58A:
52.5		 1xwfD-3n58A:
58.89
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
ASP A 226
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.78A 1xwfD-3n58A:
52.5		 1xwfD-3n58A:
58.89
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.15A 2dyrA-3n58A:
undetectable
2dyrC-3n58A:
undetectable		 2dyrA-3n58A:
21.15
2dyrC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.17A 2dyrN-3n58A:
undetectable
2dyrP-3n58A:
undetectable		 2dyrN-3n58A:
21.15
2dyrP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 2dysA-3n58A:
undetectable
2dysC-3n58A:
undetectable		 2dysA-3n58A:
21.15
2dysC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.15A 2dysN-3n58A:
undetectable
2dysP-3n58A:
undetectable		 2dysN-3n58A:
21.15
2dysP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 2eijA-3n58A:
undetectable
2eijC-3n58A:
undetectable		 2eijA-3n58A:
21.15
2eijC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 2eijN-3n58A:
undetectable
2eijP-3n58A:
undetectable		 2eijN-3n58A:
21.15
2eijP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 2eikA-3n58A:
undetectable
2eikC-3n58A:
undetectable		 2eikA-3n58A:
21.15
2eikC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 2eikN-3n58A:
undetectable
2eikP-3n58A:
undetectable		 2eikN-3n58A:
21.15
2eikP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 2eilA-3n58A:
undetectable
2eilC-3n58A:
undetectable		 2eilA-3n58A:
21.15
2eilC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.17A 2eilN-3n58A:
undetectable
2eilP-3n58A:
undetectable		 2eilN-3n58A:
21.15
2eilP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.24A 2eimA-3n58A:
undetectable
2eimC-3n58A:
undetectable		 2eimA-3n58A:
21.15
2eimC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 2eimN-3n58A:
undetectable
2eimP-3n58A:
undetectable		 2eimN-3n58A:
21.15
2eimP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.17A 2einA-3n58A:
0.1
2einC-3n58A:
undetectable		 2einA-3n58A:
21.15
2einC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.27A 2einN-3n58A:
undetectable
2einP-3n58A:
undetectable		 2einN-3n58A:
21.15
2einP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 SER A 126
THR A 190
GLN A 403
 None
 0.60A 2fk8A-3n58A:
2.9		 2fk8A-3n58A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VN1_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 LEU A  54
SER A 219
ASP A 425
GLU A 192
 None
None
None
ADN  A 500 (-3.6A)
 0.93A 2vn1B-3n58A:
undetectable		 2vn1B-3n58A:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 2y69A-3n58A:
undetectable
2y69C-3n58A:
undetectable		 2y69A-3n58A:
21.15
2y69C-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 2y69C-3n58A:
undetectable
2y69N-3n58A:
undetectable
2y69P-3n58A:
undetectable		 2y69C-3n58A:
20.40
2y69N-3n58A:
21.15
2y69P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7W_C_SALC1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 THR A 311
ILE A 335
GLY A 336
HIS A 387
 None
NAD  A 550 (-4.3A)
NAD  A 550 (-3.4A)
ADN  A 500 (-3.4A)
 0.81A 2y7wC-3n58A:
undetectable		 2y7wC-3n58A:
18.18
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.31A 2zj0A-3n58A:
58.6		 2zj0A-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.50A 2zj0A-3n58A:
58.6		 2zj0A-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.32A 2zj0A-3n58A:
58.6		 2zj0A-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
 1.36A 2zj0B-3n58A:
58.7		 2zj0B-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.42A 2zj0B-3n58A:
58.7		 2zj0B-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.54A 2zj0B-3n58A:
58.7		 2zj0B-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 LEU A  54
GLN A  59
THR A  60
THR A 193
HIS A 337
 None
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.42A 2zj0B-3n58A:
58.7		 2zj0B-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
 1.39A 2zj0C-3n58A:
58.7		 2zj0C-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.53A 2zj0C-3n58A:
58.7		 2zj0C-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
LEU A 378
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 1.33A 2zj0C-3n58A:
58.7		 2zj0C-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 LEU A  54
GLN A  59
THR A  60
THR A 193
HIS A 337
 None
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.26A 2zj0C-3n58A:
58.7		 2zj0C-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.36A 2zj0D-3n58A:
58.8		 2zj0D-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.49A 2zj0D-3n58A:
58.8		 2zj0D-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
 1.25A 2zj0D-3n58A:
58.8		 2zj0D-3n58A:
60.56
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 LEU A  54
GLN A  59
THR A  60
THR A 193
 None
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
 0.30A 2zj0D-3n58A:
58.8		 2zj0D-3n58A:
60.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 GLY A 242
GLY A 238
ASP A 237
LEU A 379
ASP A 360
ASN A 354
 None
 1.43A 2zw9B-3n58A:
2.2		 2zw9B-3n58A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.22A 2zxwA-3n58A:
undetectable
2zxwC-3n58A:
undetectable		 2zxwA-3n58A:
21.15
2zxwC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 2zxwN-3n58A:
undetectable
2zxwP-3n58A:
undetectable		 2zxwN-3n58A:
21.15
2zxwP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.22A 3abkA-3n58A:
undetectable
3abkC-3n58A:
undetectable		 3abkA-3n58A:
21.15
3abkC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 3abkN-3n58A:
undetectable
3abkP-3n58A:
undetectable		 3abkN-3n58A:
21.15
3abkP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.16A 3ablA-3n58A:
undetectable
3ablC-3n58A:
undetectable
3ablP-3n58A:
undetectable		 3ablA-3n58A:
21.15
3ablC-3n58A:
20.40
3ablP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.12A 3ablC-3n58A:
undetectable
3ablN-3n58A:
undetectable
3ablP-3n58A:
undetectable		 3ablC-3n58A:
20.40
3ablN-3n58A:
21.15
3ablP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 3abmA-3n58A:
undetectable
3abmC-3n58A:
undetectable
3abmP-3n58A:
undetectable		 3abmA-3n58A:
21.15
3abmC-3n58A:
20.40
3abmP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.15A 3abmN-3n58A:
undetectable
3abmP-3n58A:
undetectable		 3abmN-3n58A:
21.15
3abmP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.25A 3ag1A-3n58A:
undetectable
3ag1C-3n58A:
undetectable		 3ag1A-3n58A:
21.15
3ag1C-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 3ag1N-3n58A:
undetectable
3ag1P-3n58A:
undetectable		 3ag1N-3n58A:
21.15
3ag1P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.24A 3ag2A-3n58A:
undetectable
3ag2C-3n58A:
undetectable		 3ag2A-3n58A:
21.15
3ag2C-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 3ag2N-3n58A:
undetectable
3ag2P-3n58A:
undetectable		 3ag2N-3n58A:
21.15
3ag2P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 3ag3A-3n58A:
undetectable
3ag3C-3n58A:
undetectable		 3ag3A-3n58A:
21.15
3ag3C-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 3ag3N-3n58A:
undetectable
3ag3P-3n58A:
undetectable		 3ag3N-3n58A:
21.15
3ag3P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.23A 3ag4A-3n58A:
undetectable
3ag4C-3n58A:
undetectable		 3ag4A-3n58A:
21.15
3ag4C-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 3ag4N-3n58A:
undetectable
3ag4P-3n58A:
undetectable		 3ag4N-3n58A:
21.15
3ag4P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 3asnA-3n58A:
undetectable
3asnC-3n58A:
undetectable		 3asnA-3n58A:
21.15
3asnC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 3asnC-3n58A:
undetectable
3asnN-3n58A:
undetectable
3asnP-3n58A:
undetectable		 3asnC-3n58A:
20.40
3asnN-3n58A:
21.15
3asnP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.22A 3asoA-3n58A:
undetectable
3asoC-3n58A:
undetectable
3asoP-3n58A:
undetectable		 3asoA-3n58A:
21.15
3asoC-3n58A:
20.40
3asoP-3n58A:
20.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.31A 3ce6A-3n58A:
59.0		 3ce6A-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.52A 3ce6A-3n58A:
59.0		 3ce6A-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.23A 3ce6A-3n58A:
59.0		 3ce6A-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.14A 3ce6B-3n58A:
59.1		 3ce6B-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.34A 3ce6B-3n58A:
59.1		 3ce6B-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.52A 3ce6B-3n58A:
59.1		 3ce6B-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 LEU A  54
GLN A  59
THR A  60
THR A 193
HIS A 337
 None
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.24A 3ce6B-3n58A:
59.1		 3ce6B-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.37A 3ce6C-3n58A:
59.2		 3ce6C-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.52A 3ce6C-3n58A:
59.2		 3ce6C-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.27A 3ce6C-3n58A:
59.2		 3ce6C-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.42A 3ce6D-3n58A:
59.1		 3ce6D-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.51A 3ce6D-3n58A:
59.1		 3ce6D-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.26A 3ce6D-3n58A:
59.1		 3ce6D-3n58A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 LEU A  54
GLN A  59
THR A  60
HIS A 337
LEU A 378
 None
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.35A 3ce6D-3n58A:
59.1		 3ce6D-3n58A:
60.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ILE A 186
LEU A 141
ASN A 415
THR A 410
 None
 0.75A 3dcjB-3n58A:
4.8		 3dcjB-3n58A:
20.35
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.
3ELZ_B_CHDB200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 PRO A 388
VAL A 391
THR A 311
GLY A 261
 K  A   2 ( 4.8A)
None
None
None
 0.93A 3elzB-3n58A:
undetectable		 3elzB-3n58A:
17.06
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		9 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
ASN A 227
LEU A 378
LEU A 381
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 (-3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
None
 0.73A 3g1uA-3n58A:
31.6		 3g1uA-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.50A 3g1uA-3n58A:
31.6		 3g1uA-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
HIS A 337
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.11A 3g1uA-3n58A:
31.6		 3g1uA-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-3.4A)
 1.37A 3g1uB-3n58A:
55.8		 3g1uB-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
HIS A  55
ASP A 132
THR A 193
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.48A 3g1uB-3n58A:
55.8		 3g1uB-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
GLN A  59
ASP A 132
THR A 193
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.23A 3g1uB-3n58A:
55.8		 3g1uB-3n58A:
58.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_B_ADNB438_2
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 THR A  60
GLU A 192
HIS A 337
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
ADN  A 500 ( 3.6A)
 0.16A 3g1uB-3n58A:
55.8		 3g1uB-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 0.90A 3g1uC-3n58A:
56.6		 3g1uC-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 1.26A 3g1uC-3n58A:
56.6		 3g1uC-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.30A 3g1uC-3n58A:
56.6		 3g1uC-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
HIS A 387
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.4A)
 0.17A 3g1uC-3n58A:
56.6		 3g1uC-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.32A 3g1uD-3n58A:
56.4		 3g1uD-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
HIS A  55
ASP A 132
THR A 193
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.36A 3g1uD-3n58A:
56.4		 3g1uD-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
THR A 193
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.24A 3g1uD-3n58A:
56.4		 3g1uD-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
GLU A 192
HIS A 337
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
ADN  A 500 ( 3.6A)
 0.20A 3g1uD-3n58A:
56.4		 3g1uD-3n58A:
58.65
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.30A 3glqA-3n58A:
62.4		 3glqA-3n58A:
67.51
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.20A 3glqA-3n58A:
62.4		 3glqA-3n58A:
67.51
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
GLU A 192
THR A 193
HIS A 337
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.49A 3glqA-3n58A:
62.4		 3glqA-3n58A:
67.51
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 ASP A 132
LYS A 222
ASP A 226
LEU A 381
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
 1.33A 3glqB-3n58A:
62.5		 3glqB-3n58A:
67.51
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 0.99A 3glqB-3n58A:
62.5		 3glqB-3n58A:
67.51
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.22A 3glqB-3n58A:
62.5		 3glqB-3n58A:
67.51
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
GLU A 192
THR A 193
HIS A 337
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.20A 3glqB-3n58A:
62.5		 3glqB-3n58A:
67.51
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		10 / 10 LEU A  54
HIS A  55
THR A  57
GLN A  59
THR A  60
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.19A 3h9uA-3n58A:
19.6		 3h9uA-3n58A:
61.02
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		10 / 10 HIS A  55
THR A  57
GLN A  59
THR A  60
ASN A 380
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.16A 3h9uB-3n58A:
58.3		 3h9uB-3n58A:
61.02
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		10 / 10 LEU A  54
HIS A  55
THR A  57
GLN A  59
THR A  60
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.21A 3h9uC-3n58A:
58.4		 3h9uC-3n58A:
61.02
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		10 / 10 LEU A  54
HIS A  55
THR A  57
GLN A  59
THR A  60
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.21A 3h9uD-3n58A:
58.6		 3h9uD-3n58A:
61.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 10 LEU A 268
SER A 267
ILE A 239
SER A 234
GLY A 238
 None
 1.05A 3ijxB-3n58A:
undetectable
3ijxD-3n58A:
undetectable		 3ijxB-3n58A:
22.51
3ijxD-3n58A:
22.51
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.24A 3ondA-3n58A:
57.7		 3ondA-3n58A:
60.12
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.17A 3ondA-3n58A:
57.7		 3ondA-3n58A:
60.12
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.30A 3ondA-3n58A:
57.7		 3ondA-3n58A:
60.12
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 GLN A  59
THR A  60
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 (-4.3A)
 0.56A 3ondA-3n58A:
57.7		 3ondA-3n58A:
60.12
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.24A 3ondB-3n58A:
57.2		 3ondB-3n58A:
60.12
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.19A 3ondB-3n58A:
57.2		 3ondB-3n58A:
60.12
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.30A 3ondB-3n58A:
57.2		 3ondB-3n58A:
60.12
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 GLN A  59
THR A  60
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 (-4.3A)
 0.58A 3ondB-3n58A:
57.2		 3ondB-3n58A:
60.12
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.
3PS9_A_SAMA670_1
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 GLY A 196
THR A 195
GLU A 191
ASP A 135
 None
NAD  A 550 (-3.7A)
None
None
 1.01A 3ps9A-3n58A:
3.2		 3ps9A-3n58A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 SER A 158
ASP A 316
ASP A 321
ILE A 320
 None
 1.39A 3uj7B-3n58A:
2.9		 3uj7B-3n58A:
19.52
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.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 3wg7A-3n58A:
undetectable
3wg7C-3n58A:
undetectable
3wg7P-3n58A:
undetectable		 3wg7A-3n58A:
21.15
3wg7C-3n58A:
20.40
3wg7P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 3wg7C-3n58A:
undetectable
3wg7N-3n58A:
undetectable
3wg7P-3n58A:
undetectable		 3wg7C-3n58A:
20.40
3wg7N-3n58A:
21.15
3wg7P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 3x2qA-3n58A:
undetectable
3x2qC-3n58A:
undetectable
3x2qP-3n58A:
undetectable		 3x2qA-3n58A:
21.15
3x2qC-3n58A:
20.40
3x2qP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.14A 3x2qC-3n58A:
undetectable
3x2qN-3n58A:
undetectable
3x2qP-3n58A:
undetectable		 3x2qC-3n58A:
20.40
3x2qN-3n58A:
21.15
3x2qP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYS_A_ACTA402_0
(MCCC FAMILY PROTEIN)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 SER A 219
ASP A 218
SER A 223
GLU A 192
 None
None
None
ADN  A 500 (-3.6A)
 1.18A 4eysA-3n58A:
2.9		 4eysA-3n58A:
22.34
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))		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.27A 4lvcA-3n58A:
62.7		 4lvcA-3n58A:
69.73
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))		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.22A 4lvcA-3n58A:
62.7		 4lvcA-3n58A:
69.73
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))		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.50A 4lvcA-3n58A:
62.7		 4lvcA-3n58A:
69.73
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))		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
 1.24A 4lvcB-3n58A:
62.6		 4lvcB-3n58A:
69.73
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))		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
HIS A 337
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.20A 4lvcB-3n58A:
62.6		 4lvcB-3n58A:
69.73
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))		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
LEU A 378
LEU A 381
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
 0.50A 4lvcB-3n58A:
62.6		 4lvcB-3n58A:
69.73
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))		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 1.15A 4lvcC-3n58A:
62.6		 4lvcC-3n58A:
69.73
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))		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.19A 4lvcC-3n58A:
62.6		 4lvcC-3n58A:
69.73
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))		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.50A 4lvcC-3n58A:
62.6		 4lvcC-3n58A:
69.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 PRO A  44
LEU A  70
GLN A 403
 None
 0.71A 4pevB-3n58A:
3.4		 4pevB-3n58A:
24.40
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.33A 4pfjA-3n58A:
30.1		 4pfjA-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.22A 4pfjA-3n58A:
30.1		 4pfjA-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 7 THR A  60
THR A 193
HIS A 337
LEU A 378
ASN A 380
SER A 395
 ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.4A)
 0.33A 4pfjA-3n58A:
30.1		 4pfjA-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.50A 4pfjB-3n58A:
58.5		 4pfjB-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.56A 4pfjB-3n58A:
58.5		 4pfjB-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 6 THR A  60
GLN A  85
THR A 193
HIS A 337
ASN A 380
 ADN  A 500 (-4.6A)
None
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-3.0A)
 0.52A 4pfjB-3n58A:
58.5		 4pfjB-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
ASN A 380
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
NAD  A 550 (-3.0A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.35A 4pgfA-3n58A:
58.8		 4pgfA-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 6 THR A  57
THR A  60
THR A 193
HIS A 337
LEU A 381
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
 0.21A 4pgfA-3n58A:
58.8		 4pgfA-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		10 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.61A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.46A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		10 / 12 HIS A  55
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.33A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 THR A  57
THR A  60
THR A 193
HIS A 337
ASN A 380
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-3.0A)
 0.32A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A 193
THR A 194
THR A 310
ASN A 380
 NAD  A 550 ( 3.0A)
NAD  A 550 (-3.0A)
None
NAD  A 550 (-3.0A)
 1.35A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
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.
4QWP_B_GCSB307_1
(CHITOSANASE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 7 GLU A 279
THR A 312
GLY A 256
THR A 310
VAL A 277
 NAD  A 550 (-2.8A)
NAD  A 550 (-4.0A)
NAD  A 550 (-3.6A)
None
None
 1.42A 4qwpB-3n58A:
undetectable		 4qwpB-3n58A:
20.59
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.23A 5axaA-3n58A:
58.8		 5axaA-3n58A:
58.97
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.21A 5axaA-3n58A:
58.8		 5axaA-3n58A:
58.97
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.24A 5axaC-3n58A:
58.8		 5axaC-3n58A:
58.97
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.20A 5axaC-3n58A:
58.8		 5axaC-3n58A:
58.97
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.29A 5axdA-3n58A:
58.8		 5axdA-3n58A:
58.97
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
 0.20A 5axdA-3n58A:
58.8		 5axdA-3n58A:
58.97
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.29A 5axdA-3n58A:
58.8		 5axdA-3n58A:
58.97
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
 ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 1.12A 5axdC-3n58A:
58.8		 5axdC-3n58A:
58.97
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
 0.18A 5axdC-3n58A:
58.8		 5axdC-3n58A:
58.97
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.30A 5axdC-3n58A:
58.8		 5axdC-3n58A:
58.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 5b1aA-3n58A:
undetectable
5b1aC-3n58A:
undetectable
5b1aP-3n58A:
undetectable		 5b1aA-3n58A:
21.15
5b1aC-3n58A:
20.40
5b1aP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 5b1aN-3n58A:
undetectable
5b1aP-3n58A:
undetectable		 5b1aN-3n58A:
21.15
5b1aP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 5b1bN-3n58A:
undetectable
5b1bP-3n58A:
undetectable		 5b1bN-3n58A:
21.15
5b1bP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.22A 5b3sA-3n58A:
undetectable
5b3sC-3n58A:
undetectable
5b3sP-3n58A:
undetectable		 5b3sA-3n58A:
21.15
5b3sC-3n58A:
20.40
5b3sP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 5b3sN-3n58A:
undetectable
5b3sP-3n58A:
undetectable		 5b3sN-3n58A:
21.15
5b3sP-3n58A:
20.40
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.31A 5hm8A-3n58A:
55.1		 5hm8A-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.22A 5hm8A-3n58A:
55.1		 5hm8A-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.25A 5hm8A-3n58A:
55.1		 5hm8A-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A  60
GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.49A 5hm8A-3n58A:
55.1		 5hm8A-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.31A 5hm8B-3n58A:
55.1		 5hm8B-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.23A 5hm8B-3n58A:
55.1		 5hm8B-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.25A 5hm8B-3n58A:
55.1		 5hm8B-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A  60
GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.49A 5hm8B-3n58A:
55.1		 5hm8B-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.31A 5hm8C-3n58A:
55.7		 5hm8C-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.22A 5hm8C-3n58A:
55.7		 5hm8C-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.24A 5hm8C-3n58A:
55.7		 5hm8C-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A  60
GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.49A 5hm8C-3n58A:
55.7		 5hm8C-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.31A 5hm8D-3n58A:
55.3		 5hm8D-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.22A 5hm8D-3n58A:
55.3		 5hm8D-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.25A 5hm8D-3n58A:
55.3		 5hm8D-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A  60
GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.50A 5hm8D-3n58A:
55.3		 5hm8D-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.31A 5hm8E-3n58A:
55.6		 5hm8E-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.22A 5hm8E-3n58A:
55.6		 5hm8E-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.25A 5hm8E-3n58A:
55.6		 5hm8E-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A  60
GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.49A 5hm8E-3n58A:
55.6		 5hm8E-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.31A 5hm8F-3n58A:
55.2		 5hm8F-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.22A 5hm8F-3n58A:
55.2		 5hm8F-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.24A 5hm8F-3n58A:
55.2		 5hm8F-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A  60
GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.49A 5hm8F-3n58A:
55.2		 5hm8F-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.31A 5hm8G-3n58A:
55.0		 5hm8G-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.22A 5hm8G-3n58A:
55.0		 5hm8G-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.24A 5hm8G-3n58A:
55.0		 5hm8G-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A  60
GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.68A 5hm8G-3n58A:
55.0		 5hm8G-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.31A 5hm8H-3n58A:
55.8		 5hm8H-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.22A 5hm8H-3n58A:
55.8		 5hm8H-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.25A 5hm8H-3n58A:
55.8		 5hm8H-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A  60
GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.49A 5hm8H-3n58A:
55.8		 5hm8H-3n58A:
52.30
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.
5IY5_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 5iy5A-3n58A:
undetectable
5iy5C-3n58A:
undetectable		 5iy5A-3n58A:
21.15
5iy5C-3n58A:
19.96
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.18A 5m5kA-3n58A:
62.2		 5m5kA-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.22A 5m5kA-3n58A:
62.2		 5m5kA-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.55A 5m5kA-3n58A:
62.2		 5m5kA-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.32A 5m5kB-3n58A:
62.1		 5m5kB-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.37A 5m5kB-3n58A:
62.1		 5m5kB-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
LEU A 378
LEU A 381
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
 0.50A 5m5kB-3n58A:
62.1		 5m5kB-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.21A 5m5kC-3n58A:
61.9		 5m5kC-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.22A 5m5kC-3n58A:
61.9		 5m5kC-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.55A 5m5kC-3n58A:
61.9		 5m5kC-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.27A 5m66A-3n58A:
62.2		 5m66A-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.27A 5m66A-3n58A:
62.2		 5m66A-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.22A 5m66A-3n58A:
62.2		 5m66A-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
GLU A 192
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 (-4.3A)
 0.56A 5m66A-3n58A:
62.2		 5m66A-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.26A 5m66B-3n58A:
62.3		 5m66B-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.24A 5m66B-3n58A:
62.3		 5m66B-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.50A 5m66B-3n58A:
62.3		 5m66B-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.35A 5m66C-3n58A:
62.3		 5m66C-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
GLN A  59
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.15A 5m66C-3n58A:
62.3		 5m66C-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.28A 5m66C-3n58A:
62.3		 5m66C-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.34A 5m66D-3n58A:
61.9		 5m66D-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
GLN A  59
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.18A 5m66D-3n58A:
61.9		 5m66D-3n58A:
69.73
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
 1.33A 5m66D-3n58A:
61.9		 5m66D-3n58A:
69.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 THR A  60
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.67A 5m66D-3n58A:
61.9		 5m66D-3n58A:
69.73
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 THR A 312
ASP A 226
VAL A 197
GLY A 196
 NAD  A 550 (-4.0A)
ADN  A 500 ( 2.6A)
None
None
 0.90A 5nzyA-3n58A:
2.5		 5nzyA-3n58A:
20.34
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
 1.30A 5utuF-3n58A:
55.3		 5utuF-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 1.00A 5utuF-3n58A:
55.3		 5utuF-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.26A 5utuF-3n58A:
55.3		 5utuF-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
 1.30A 5utuH-3n58A:
27.6		 5utuH-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 LEU A  54
ASP A 132
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 1.00A 5utuH-3n58A:
27.6		 5utuH-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.21A 5utuH-3n58A:
27.6		 5utuH-3n58A:
52.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_H_ADNH503_2
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 THR A  60
GLU A 192
THR A 193
LEU A 378
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.54A 5utuH-3n58A:
27.4		 5utuH-3n58A:
52.30
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 0.96A 5v96A-3n58A:
59.3		 5v96A-3n58A:
60.04
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.22A 5v96A-3n58A:
59.3		 5v96A-3n58A:
60.04
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 0.99A 5v96B-3n58A:
59.5		 5v96B-3n58A:
60.04
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.22A 5v96B-3n58A:
59.5		 5v96B-3n58A:
60.04
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 0.96A 5v96C-3n58A:
59.5		 5v96C-3n58A:
60.04
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.21A 5v96C-3n58A:
59.5		 5v96C-3n58A:
60.04
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 0.94A 5v96D-3n58A:
59.5		 5v96D-3n58A:
60.04
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.23A 5v96D-3n58A:
59.5		 5v96D-3n58A:
60.04
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.
5W97_C_CHDC302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.22A 5w97C-3n58A:
undetectable
5w97a-3n58A:
undetectable
5w97c-3n58A:
undetectable		 5w97C-3n58A:
20.40
5w97a-3n58A:
21.15
5w97c-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.17A 5wauC-3n58A:
undetectable
5waua-3n58A:
undetectable
5wauc-3n58A:
undetectable		 5wauC-3n58A:
20.40
5waua-3n58A:
21.15
5wauc-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.23A 5x19N-3n58A:
undetectable
5x19P-3n58A:
undetectable		 5x19N-3n58A:
21.15
5x19P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.24A 5x1bN-3n58A:
undetectable
5x1bP-3n58A:
undetectable		 5x1bN-3n58A:
21.15
5x1bP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.25A 5x1fN-3n58A:
undetectable
5x1fP-3n58A:
undetectable		 5x1fN-3n58A:
21.15
5x1fP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 5xdqA-3n58A:
0.0
5xdqC-3n58A:
undetectable
5xdqP-3n58A:
undetectable		 5xdqA-3n58A:
21.15
5xdqC-3n58A:
20.40
5xdqP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 5xdqC-3n58A:
undetectable
5xdqN-3n58A:
undetectable
5xdqP-3n58A:
undetectable		 5xdqC-3n58A:
20.40
5xdqN-3n58A:
21.15
5xdqP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 5z84A-3n58A:
undetectable
5z84C-3n58A:
undetectable
5z84P-3n58A:
undetectable		 5z84A-3n58A:
21.15
5z84C-3n58A:
20.40
5z84P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 5z84C-3n58A:
undetectable
5z84N-3n58A:
undetectable
5z84P-3n58A:
undetectable		 5z84C-3n58A:
20.40
5z84N-3n58A:
21.15
5z84P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 5z85A-3n58A:
undetectable
5z85C-3n58A:
undetectable
5z85P-3n58A:
undetectable		 5z85A-3n58A:
21.15
5z85C-3n58A:
20.40
5z85P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 5z85C-3n58A:
undetectable
5z85N-3n58A:
undetectable
5z85P-3n58A:
undetectable		 5z85C-3n58A:
20.40
5z85N-3n58A:
21.15
5z85P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 5z86A-3n58A:
undetectable
5z86C-3n58A:
undetectable
5z86P-3n58A:
undetectable		 5z86A-3n58A:
21.15
5z86C-3n58A:
20.40
5z86P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 5z86C-3n58A:
undetectable
5z86N-3n58A:
undetectable
5z86P-3n58A:
undetectable		 5z86C-3n58A:
20.40
5z86N-3n58A:
21.15
5z86P-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 5zcoA-3n58A:
undetectable
5zcoC-3n58A:
undetectable
5zcoP-3n58A:
undetectable		 5zcoA-3n58A:
21.15
5zcoC-3n58A:
20.40
5zcoP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 5zcoC-3n58A:
undetectable
5zcoN-3n58A:
undetectable
5zcoP-3n58A:
undetectable		 5zcoC-3n58A:
20.40
5zcoN-3n58A:
21.15
5zcoP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 5zcpA-3n58A:
undetectable
5zcpC-3n58A:
undetectable
5zcpP-3n58A:
undetectable		 5zcpA-3n58A:
21.15
5zcpC-3n58A:
20.40
5zcpP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 5zcpC-3n58A:
undetectable
5zcpN-3n58A:
undetectable
5zcpP-3n58A:
undetectable		 5zcpC-3n58A:
20.40
5zcpN-3n58A:
21.15
5zcpP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 8 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 5zcqA-3n58A:
undetectable
5zcqC-3n58A:
undetectable
5zcqP-3n58A:
undetectable		 5zcqA-3n58A:
21.15
5zcqC-3n58A:
20.40
5zcqP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.19A 5zcqN-3n58A:
undetectable
5zcqP-3n58A:
undetectable		 5zcqN-3n58A:
21.15
5zcqP-3n58A:
20.40
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
 1.25A 6aphA-3n58A:
23.8		 6aphA-3n58A:
59.04
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.26A 6aphA-3n58A:
23.8		 6aphA-3n58A:
59.04
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)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 381
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
 0.13A 6aphA-3n58A:
23.8		 6aphA-3n58A:
59.04
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.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 HIS A  55
THR A  57
GLN A  59
THR A  60
ASP A 226
ASN A 380
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.23A 6exiA-3n58A:
61.1		 6exiA-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 HIS A  55
THR A  57
GLN A  59
THR A  60
HIS A 337
LEU A 381
GLY A 386
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
None
 1.01A 6exiA-3n58A:
61.1		 6exiA-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 10 GLY A 256
GLY A 258
GLU A 279
VAL A 280
ASP A 281
CYH A 284
THR A 312
ASN A 314
 NAD  A 550 (-3.6A)
NAD  A 550 (-3.3A)
NAD  A 550 (-2.8A)
NAD  A 550 (-4.2A)
None
NAD  A 550 (-3.5A)
NAD  A 550 (-4.0A)
NAD  A 550 (-4.1A)
 0.20A 6exiA-3n58A:
61.1		 6exiA-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 LEU A 443
GLN A 447
LYS A 460
 None
 0.20A 6exiB-3n58A:
60.1		 6exiB-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
THR A  57
GLN A  59
THR A  60
HIS A 337
LEU A 381
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
None
 1.04A 6exiB-3n58A:
60.1		 6exiB-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 HIS A  55
THR A  57
GLN A  59
THR A  60
LYS A 222
ASP A 226
ASN A 380
LEU A 381
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.65A 6exiB-3n58A:
60.1		 6exiB-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		3 / 3 LEU A 443
GLN A 447
LYS A 460
 None
 0.20A 6exiA-3n58A:
61.1		 6exiA-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 10 GLY A 256
GLY A 258
GLU A 279
VAL A 280
ASP A 281
CYH A 284
THR A 312
ASN A 314
 NAD  A 550 (-3.6A)
NAD  A 550 (-3.3A)
NAD  A 550 (-2.8A)
NAD  A 550 (-4.2A)
None
NAD  A 550 (-3.5A)
NAD  A 550 (-4.0A)
NAD  A 550 (-4.1A)
 0.20A 6exiB-3n58A:
60.1		 6exiB-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 LEU A  54
GLN A  59
THR A  60
ASP A 226
ASN A 227
MET A 392
 None
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-3.6A)
ADN  A 500 (-3.7A)
 0.91A 6exiC-3n58A:
32.3		 6exiC-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		10 / 12 LEU A  54
HIS A  55
THR A  57
GLN A  59
THR A  60
ASP A 226
ASN A 380
LEU A 381
HIS A 387
MET A 392
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
 0.26A 6exiC-3n58A:
32.3		 6exiC-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
HIS A  55
THR A  57
GLN A  59
THR A  60
HIS A 337
LEU A 381
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
 1.00A 6exiC-3n58A:
32.3		 6exiC-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 GLY A 256
GLY A 258
GLU A 279
VAL A 280
ASP A 281
CYH A 284
THR A 312
ASN A 314
 NAD  A 550 (-3.6A)
NAD  A 550 (-3.3A)
NAD  A 550 (-2.8A)
NAD  A 550 (-4.2A)
None
NAD  A 550 (-3.5A)
NAD  A 550 (-4.0A)
NAD  A 550 (-4.1A)
 0.21A 6exiC-3n58A:
32.3
6exiD-3n58A:
59.9		 6exiC-3n58A:
14.32
6exiD-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		11 / 12 HIS A  55
THR A  57
GLN A  59
THR A  60
ASP A 226
ASN A 380
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.30A 6exiD-3n58A:
59.9		 6exiD-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 HIS A  55
THR A  57
GLN A  59
THR A  60
HIS A 337
LEU A 381
GLY A 386
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
None
 1.05A 6exiD-3n58A:
59.9		 6exiD-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 GLY A 256
GLY A 258
GLU A 279
VAL A 280
ASP A 281
CYH A 284
THR A 312
ASN A 314
 NAD  A 550 (-3.6A)
NAD  A 550 (-3.3A)
NAD  A 550 (-2.8A)
NAD  A 550 (-4.2A)
None
NAD  A 550 (-3.5A)
NAD  A 550 (-4.0A)
NAD  A 550 (-4.1A)
 0.24A 6exiC-3n58A:
32.3
6exiD-3n58A:
59.9		 6exiC-3n58A:
14.32
6exiD-3n58A:
14.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
 1.35A 6f3mA-3n58A:
54.2		 6f3mA-3n58A:
53.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
HIS A 337
LEU A 378
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.20A 6f3mA-3n58A:
54.2		 6f3mA-3n58A:
53.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
 1.25A 6f3mA-3n58A:
54.2		 6f3mA-3n58A:
53.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
LEU A 381
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.40A 6f3mA-3n58A:
54.2		 6f3mA-3n58A:
53.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
LEU A 381
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 4.8A)
 0.08A 6f3mA-3n58A:
54.2		 6f3mA-3n58A:
53.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.35A 6f3mB-3n58A:
54.2		 6f3mB-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.18A 6f3mB-3n58A:
54.2		 6f3mB-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
 1.25A 6f3mB-3n58A:
54.2		 6f3mB-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.47A 6f3mB-3n58A:
54.2		 6f3mB-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
 1.36A 6f3mC-3n58A:
54.3		 6f3mC-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
HIS A 337
LEU A 378
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.20A 6f3mC-3n58A:
54.3		 6f3mC-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
 1.24A 6f3mC-3n58A:
54.3		 6f3mC-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
LEU A 381
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.40A 6f3mC-3n58A:
54.3		 6f3mC-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
LEU A 381
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 4.8A)
 0.08A 6f3mC-3n58A:
54.3		 6f3mC-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.36A 6f3mD-3n58A:
54.4		 6f3mD-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
HIS A 337
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.18A 6f3mD-3n58A:
54.4		 6f3mD-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
 1.24A 6f3mD-3n58A:
54.4		 6f3mD-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 GLN A  59
THR A  60
THR A 193
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
 0.49A 6f3mD-3n58A:
54.4		 6f3mD-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.37A 6f3nA-3n58A:
54.4		 6f3nA-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.18A 6f3nA-3n58A:
54.4		 6f3nA-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
HIS A 337
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.15A 6f3nA-3n58A:
54.4		 6f3nA-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.28A 6f3nB-3n58A:
54.5		 6f3nB-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.16A 6f3nB-3n58A:
54.5		 6f3nB-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.27A 6f3nB-3n58A:
54.5		 6f3nB-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
HIS A 337
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.51A 6f3nB-3n58A:
54.5		 6f3nB-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.18A 6f3nC-3n58A:
54.5		 6f3nC-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 12 HIS A  55
THR A  60
ASP A 132
ASP A 226
LEU A 381
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.39A 6f3nC-3n58A:
54.5		 6f3nC-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
HIS A 337
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.15A 6f3nC-3n58A:
54.5		 6f3nC-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.36A 6f3nD-3n58A:
54.3		 6f3nD-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.18A 6f3nD-3n58A:
54.3		 6f3nD-3n58A:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 4 GLN A  59
THR A  60
THR A 193
HIS A 337
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.15A 6f3nD-3n58A:
54.3		 6f3nD-3n58A:
52.36
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.
6G9B_B_IXXB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 5 ARG A  49
ALA A  48
GLN A 182
ILE A 186
 None
 1.24A 6g9bA-3n58A:
0.0
6g9bB-3n58A:
undetectable		 6g9bA-3n58A:
10.18
6g9bB-3n58A:
11.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		7 / 12 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.22A 6gbnA-3n58A:
59.1		 6gbnA-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.20A 6gbnA-3n58A:
59.1		 6gbnA-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.53A 6gbnA-3n58A:
59.1		 6gbnA-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_B_ADNB501_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		6 / 12 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.32A 6gbnB-3n58A:
58.8		 6gbnB-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_B_ADNB501_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.28A 6gbnB-3n58A:
58.8		 6gbnB-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_B_ADNB501_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 381
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
 0.16A 6gbnB-3n58A:
58.8		 6gbnB-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.31A 6gbnC-3n58A:
59.3		 6gbnC-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.27A 6gbnC-3n58A:
59.3		 6gbnC-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
GLY A 386
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.17A 6gbnC-3n58A:
59.3		 6gbnC-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		8 / 12 LEU A  54
HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.29A 6gbnD-3n58A:
58.4		 6gbnD-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_1
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		12 / 12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.21A 6gbnD-3n58A:
58.4		 6gbnD-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_2
(-)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		5 / 5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.52A 6gbnD-3n58A:
58.4		 6gbnD-3n58A:
60.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.18A 6nknA-3n58A:
undetectable
6nknC-3n58A:
undetectable		 6nknA-3n58A:
21.15
6nknC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.28A 6nmfN-3n58A:
0.1
6nmfP-3n58A:
undetectable		 6nmfN-3n58A:
21.15
6nmfP-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 6 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 6nmpA-3n58A:
undetectable
6nmpC-3n58A:
undetectable		 6nmpA-3n58A:
21.15
6nmpC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3n58 ADENOSYLHOMOCYSTEINA
SE
(Brucella
abortus) 		4 / 7 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.23A 6nmpN-3n58A:
undetectable
6nmpP-3n58A:
undetectable		 6nmpN-3n58A:
21.15
6nmpP-3n58A:
20.40