SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4pvv'

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.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLN A 172
GLY A  47
GLY A  48
ASN A  52
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.3A)
 0.97A 1bx4A-4pvvA:
27.5		 1bx4A-4pvvA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
ALA A 100
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
None
HO4  A 401 (-3.3A)
 1.18A 1bx4A-4pvvA:
27.5		 1bx4A-4pvvA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
VAL A 243
GLY A 256
ALA A 284
 None
 0.58A 1bx4A-4pvvA:
27.5		 1bx4A-4pvvA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 10 THR A  99
ALA A 100
PHE A 116
ALA A  70
LEU A  66
VAL A   5
 None
None
HO4  A 401 (-3.6A)
None
None
None
 1.25A 1claA-4pvvA:
undetectable		 1claA-4pvvA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 11 ALA A 303
VAL A  59
LEU A  60
ALA A  56
ALA A 258
LEU A 282
 None
 1.21A 1jinA-4pvvA:
undetectable		 1jinA-4pvvA:
21.65
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 303
VAL A  59
LEU A  60
ALA A  56
LEU A 282
 None
 1.16A 1jipA-4pvvA:
undetectable		 1jipA-4pvvA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.3A)
 0.46A 1liiA-4pvvA:
29.1		 1liiA-4pvvA:
26.52
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.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.3A)
 0.42A 1likA-4pvvA:
28.6		 1likA-4pvvA:
26.52
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.
1YAJ_G_BEZG3385_0
(CES1 PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		3 / 3 SER A 276
VAL A 221
LEU A 231
 None
 0.74A 1yajG-4pvvA:
undetectable		 1yajG-4pvvA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ARG A  78
GLY A  51
ALA A  54
ILE A   3
VAL A  86
 None
 0.95A 2b7zA-4pvvA:
undetectable		 2b7zA-4pvvA:
16.36
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.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		8 / 12 ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 116
GLN A 172
ASP A 257
 HO4  A 401 (-3.3A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.3A)
 0.79A 2c49A-4pvvA:
35.7		 2c49A-4pvvA:
28.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ALA A  10
GLY A  48
ASN A  52
PHE A 116
GLN A 172
ASP A 257
 HO4  A 401 (-3.3A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.3A)
 1.48A 2c49A-4pvvA:
35.7		 2c49A-4pvvA:
28.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 7 ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 116
 HO4  A 401 (-3.3A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
 0.50A 2c49B-4pvvA:
35.1		 2c49B-4pvvA:
28.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		10 / 12 SER A   8
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 116
MET A 121
ALA A 146
GLY A 254
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
HO4  A 401 ( 3.9A)
HO4  A 401 (-4.3A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.60A 2pkkA-4pvvA:
47.9		 2pkkA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		8 / 12 SER A   8
ASP A  12
GLY A  47
GLY A  48
PHE A 116
ALA A 146
GLN A 172
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.6A)
HO4  A 401 (-4.3A)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.3A)
 0.91A 2pkkA-4pvvA:
47.9		 2pkkA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ALA A  10
GLY A  48
ASN A  52
PHE A 116
GLY A 254
ASP A 257
 HO4  A 401 (-3.3A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 1.25A 2pkmA-4pvvA:
47.6		 2pkmA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		10 / 12 SER A   8
ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 116
ALA A 146
GLY A 254
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-3.3A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
HO4  A 401 (-4.3A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.59A 2pkmA-4pvvA:
47.6		 2pkmA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		8 / 12 SER A   8
ALA A  10
ASP A  12
GLY A  48
PHE A 116
ALA A 146
GLN A 172
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-3.3A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.6A)
HO4  A 401 (-4.3A)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.3A)
 0.86A 2pkmA-4pvvA:
47.6		 2pkmA-4pvvA:
99.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  66
ALA A 151
ALA A  50
VAL A  49
LEU A 174
 None
None
None
HO4  A 401 (-4.5A)
None
 1.25A 3b0wA-4pvvA:
undetectable		 3b0wA-4pvvA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  66
ALA A 151
ALA A  50
VAL A  49
LEU A 174
 None
None
None
HO4  A 401 (-4.5A)
None
 1.28A 3b0wB-4pvvA:
undetectable		 3b0wB-4pvvA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
ASP A 196
GLY A 280
ASN A 195
 None
 1.05A 3eeyA-4pvvA:
3.7		 3eeyA-4pvvA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
ASP A 196
GLY A 280
ASN A 195
 None
 1.05A 3eeyB-4pvvA:
3.7		 3eeyB-4pvvA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
ASP A 196
GLY A 280
ASN A 195
 None
 1.05A 3eeyC-4pvvA:
4.2		 3eeyC-4pvvA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
ASP A 196
GLY A 280
ASN A 195
 None
 1.06A 3eeyD-4pvvA:
3.7		 3eeyD-4pvvA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
ASP A 196
GLY A 280
ASN A 195
 None
 1.07A 3eeyE-4pvvA:
3.7		 3eeyE-4pvvA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
ASP A 196
GLY A 280
ASN A 195
 None
 1.05A 3eeyF-4pvvA:
4.0		 3eeyF-4pvvA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_H_SAMH300_0
(PUTATIVE RRNA
METHYLASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
ASP A 196
GLY A 280
ASN A 195
 None
 1.06A 3eeyH-4pvvA:
3.7		 3eeyH-4pvvA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
ASP A 196
GLY A 280
ASN A 195
 None
 1.06A 3eeyI-4pvvA:
3.7		 3eeyI-4pvvA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
ASP A 196
GLY A 280
ASN A 195
 None
 1.06A 3eeyJ-4pvvA:
3.6		 3eeyJ-4pvvA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 145
GLY A  48
SER A   8
ALA A  69
ALA A  70
 None
HO4  A 401 (-3.5A)
HO4  A 401 (-2.8A)
None
None
 1.16A 3sueB-4pvvA:
undetectable		 3sueB-4pvvA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.50A 3uboA-4pvvA:
28.8		 3uboA-4pvvA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 3uboB-4pvvA:
29.6		 3uboB-4pvvA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 127
GLY A   7
GLY A  68
ILE A 143
ASP A 148
 None
 1.22A 3uj7B-4pvvA:
2.8		 3uj7B-4pvvA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.60A 3uq6A-4pvvA:
28.2		 3uq6A-4pvvA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A  12
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.66A 3uq6B-4pvvA:
27.0		 3uq6B-4pvvA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.61A 3vaqA-4pvvA:
28.0		 3vaqA-4pvvA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A  12
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.61A 3vaqB-4pvvA:
27.2		 3vaqB-4pvvA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.61A 3vasA-4pvvA:
28.0		 3vasA-4pvvA:
23.15
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.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.56A 3vasB-4pvvA:
19.6		 3vasB-4pvvA:
23.15
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		4 / 8 VAL A   5
CYH A 159
VAL A  67
ILE A 144
 None
 1.05A 4aftD-4pvvA:
undetectable
4aftE-4pvvA:
undetectable		 4aftD-4pvvA:
20.19
4aftE-4pvvA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A  12
GLY A  47
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.74A 4dc3A-4pvvA:
26.9		 4dc3A-4pvvA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.58A 4dc3B-4pvvA:
28.1		 4dc3B-4pvvA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.44A 4e3aA-4pvvA:
29.5		 4e3aA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		7 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.50A 4e3aB-4pvvA:
29.4		 4e3aB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4jksA-4pvvA:
29.6		 4jksA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4jksB-4pvvA:
29.4		 4jksB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4jkuA-4pvvA:
26.1		 4jkuA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4jkuB-4pvvA:
29.5		 4jkuB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_A_ADNA401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4k8cA-4pvvA:
26.1		 4k8cA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_B_ADNB401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4k8cB-4pvvA:
29.5		 4k8cB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4k8kA-4pvvA:
29.5		 4k8kA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_B_ADNB403_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4k8kB-4pvvA:
29.6		 4k8kB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_A_ADNA401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4k8pA-4pvvA:
29.5		 4k8pA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_B_ADNB401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4k8pB-4pvvA:
29.6		 4k8pB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_A_ADNA401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.47A 4k8tA-4pvvA:
29.5		 4k8tA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_B_ADNB401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.49A 4k8tB-4pvvA:
29.5		 4k8tB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K93_A_ADNA401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4k93A-4pvvA:
29.6		 4k93A-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K93_B_ADNB402_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.47A 4k93B-4pvvA:
29.4		 4k93B-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_A_ADNA401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4k9cA-4pvvA:
29.5		 4k9cA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_B_ADNB401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.44A 4k9cB-4pvvA:
29.5		 4k9cB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9I_A_ADNA401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4k9iA-4pvvA:
29.5		 4k9iA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9I_B_ADNB401_1
(SUGAR KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4k9iB-4pvvA:
29.5		 4k9iB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4kadA-4pvvA:
29.5		 4kadA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.47A 4kadB-4pvvA:
26.0		 4kadB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4kahA-4pvvA:
29.5		 4kahA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4kahB-4pvvA:
29.4		 4kahB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.47A 4kalA-4pvvA:
29.5		 4kalA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4kalB-4pvvA:
29.6		 4kalB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4kanA-4pvvA:
26.0		 4kanA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4kanB-4pvvA:
29.5		 4kanB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4kbeA-4pvvA:
29.6		 4kbeA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4kbeB-4pvvA:
29.5		 4kbeB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4lbgA-4pvvA:
29.5		 4lbgA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.45A 4lbgB-4pvvA:
29.6		 4lbgB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4lbxA-4pvvA:
29.6		 4lbxA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4lbxB-4pvvA:
29.6		 4lbxB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4lc4A-4pvvA:
29.6		 4lc4A-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.47A 4lc4B-4pvvA:
29.6		 4lc4B-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4lcaA-4pvvA:
29.6		 4lcaA-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4lcaB-4pvvA:
29.5		 4lcaB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 257
ALA A 146
PHE A 116
GLY A  47
ASP A  12
 HO4  A 401 (-3.3A)
HO4  A 401 (-4.3A)
HO4  A 401 (-3.6A)
HO4  A 401 (-3.5A)
HO4  A 401 (-2.4A)
 1.05A 4n09A-4pvvA:
28.2		 4n09A-4pvvA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  61
GLY A  58
ILE A 319
GLY A 266
LEU A 271
 None
 0.90A 4n48A-4pvvA:
3.3		 4n48A-4pvvA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  61
GLY A  58
ILE A 319
GLY A 266
LEU A 271
 None
 0.94A 4n48B-4pvvA:
3.3		 4n48B-4pvvA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NPT_A_017A401_1
(PROTEASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 9 ALA A   4
ILE A 136
GLY A 137
ILE A 127
VAL A  67
 None
 1.12A 4nptA-4pvvA:
undetectable		 4nptA-4pvvA:
13.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  48
ASN A  52
PHE A 102
PHE A 116
ASP A 257
 HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.9A)
HO4  A 401 (-3.6A)
HO4  A 401 (-3.3A)
 1.29A 4ubeA-4pvvA:
47.9		 4ubeA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		10 / 12 SER A   8
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 102
PHE A 116
MET A 121
ALA A 146
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.9A)
HO4  A 401 (-3.6A)
HO4  A 401 ( 3.9A)
HO4  A 401 (-4.3A)
HO4  A 401 (-3.3A)
 0.64A 4ubeA-4pvvA:
47.9		 4ubeA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		9 / 12 SER A   8
ASP A  12
GLY A  47
GLY A  48
PHE A 102
PHE A 116
ALA A 146
GLN A 172
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.9A)
HO4  A 401 (-3.6A)
HO4  A 401 (-4.3A)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.3A)
 0.90A 4ubeA-4pvvA:
47.9		 4ubeA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		4 / 4 ALA A  10
VAL A  49
GLY A 254
THR A 293
 HO4  A 401 (-3.3A)
HO4  A 401 (-4.5A)
HO4  A 401 ( 4.3A)
None
 0.70A 4ubeA-4pvvA:
47.9		 4ubeA-4pvvA:
99.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		4 / 7 ARG A 275
VAL A 320
HIS A 314
GLU A 313
 None
 1.26A 5ad9A-4pvvA:
undetectable
5ad9B-4pvvA:
undetectable		 5ad9A-4pvvA:
21.83
5ad9B-4pvvA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_3_BEZ3801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		4 / 4 LEU A  60
ILE A  57
GLY A 266
ILE A   3
 None
 0.83A 5dzk3-4pvvA:
undetectable
5dzkm-4pvvA:
undetectable		 5dzk3-4pvvA:
7.69
5dzkm-4pvvA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
ALA A 100
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
None
 0.98A 5kb5A-4pvvA:
27.5		 5kb5A-4pvvA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		6 / 12 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.55A 5kb5A-4pvvA:
27.5		 5kb5A-4pvvA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
VAL A 243
GLY A 256
ALA A 284
 None
 0.67A 5kb6A-4pvvA:
26.2		 5kb6A-4pvvA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 223
GLY A 225
VAL A 243
GLY A 256
ALA A 284
 None
 0.69A 5kb6B-4pvvA:
26.3		 5kb6B-4pvvA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSI_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 10 LEU A  81
VAL A  64
VAL A  59
GLY A  58
LEU A  66
 None
 1.26A 6bsiA-4pvvA:
undetectable		 6bsiA-4pvvA:
13.50
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.
6CZM_C_HISC402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 9 VAL A 241
LEU A 307
GLY A 280
LEU A 279
VAL A 244
 None
 1.13A 6czmB-4pvvA:
undetectable
6czmC-4pvvA:
undetectable		 6czmB-4pvvA:
23.56
6czmC-4pvvA:
23.56
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.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 9 VAL A 241
LEU A 307
GLY A 280
LEU A 279
VAL A 244
 None
 1.15A 6czmD-4pvvA:
undetectable
6czmE-4pvvA:
undetectable		 6czmD-4pvvA:
23.56
6czmE-4pvvA:
23.56
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.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 4pvv ADENOSINE KINASE
(Mycobacterium
tuberculosis) 		5 / 10 VAL A 241
LEU A 307
GLY A 280
LEU A 279
VAL A 244
 None
 1.19A 6czmE-4pvvA:
undetectable
6czmF-4pvvA:
undetectable		 6czmE-4pvvA:
23.56
6czmF-4pvvA:
23.56