SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2xkr'

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.
1HPK_A_ACAA80_1
(PLASMINOGEN)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 6 ASP A   8
ASN A  38
ASP A  36
TYR A  15
 None
 1.29A 1hpkA-2xkrA:
undetectable		 1hpkA-2xkrA:
11.40
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.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  56
PHE A  59
GLN A  55
VAL A  49
 None
 1.42A 1l2iB-2xkrA:
undetectable		 1l2iB-2xkrA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1N_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.69A 2a1nA-2xkrA:
44.6		 2a1nA-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1O_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 9 TYR A 182
THR A 186
VAL A 144
GLY A 143
ILE A 138
 None
 1.26A 2a1oB-2xkrA:
45.1		 2a1oB-2xkrA:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 7 GLY A 231
GLY A 230
VAL A 137
LEU A 345
 HEM  A1400 (-3.2A)
PG4  A1399 ( 3.2A)
None
HEM  A1400 ( 4.7A)
 0.70A 2oa1B-2xkrA:
undetectable		 2oa1B-2xkrA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_C_KLNC1499_1
(CYTOCHROME P450 3A4)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 7 PHE A 321
LEU A 239
ILE A 114
GLY A 242
 None
 0.88A 2v0mC-2xkrA:
30.1		 2v0mC-2xkrA:
23.52
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		3 / 3 ARG A  18
GLU A 269
SER A 371
 None
 0.86A 2xkkA-2xkrA:
undetectable
2xkkC-2xkrA:
undetectable		 2xkkA-2xkrA:
21.04
2xkkC-2xkrA:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 ILE A  76
LEU A 159
LEU A 226
ILE A 229
THR A 234
 HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.80A 3a50B-2xkrA:
45.0		 3a50B-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 MET A  74
ILE A  76
LEU A 159
LEU A 226
THR A 234
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
HEM  A1400 (-3.7A)
 0.76A 3a50B-2xkrA:
45.0		 3a50B-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 ILE A  76
LEU A 159
LEU A 226
ILE A 229
THR A 234
 HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.76A 3a50C-2xkrA:
44.9		 3a50C-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 MET A  74
ILE A  76
LEU A 159
LEU A 226
THR A 234
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
HEM  A1400 (-3.7A)
 0.73A 3a50C-2xkrA:
44.9		 3a50C-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_D_VD3D2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 MET A  74
ILE A  76
LEU A 159
ILE A 229
THR A 234
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.86A 3a50D-2xkrA:
45.0		 3a50D-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_E_VD3E2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		6 / 12 MET A  74
ILE A  76
LEU A 159
LEU A 226
ILE A 229
THR A 234
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.82A 3a50E-2xkrA:
45.1		 3a50E-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_A_VDYA6178_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		6 / 11 MET A  74
ILE A  76
LEU A 226
ILE A 229
THR A 234
VAL A 277
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.69A 3a51A-2xkrA:
45.4		 3a51A-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_C_VDYC6178_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 MET A  74
ILE A  76
ILE A 229
THR A 234
VAL A 277
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.71A 3a51C-2xkrA:
45.1		 3a51C-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		6 / 12 MET A  74
ILE A  76
LEU A 226
ILE A 229
THR A 234
VAL A 277
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.64A 3a51D-2xkrA:
45.0		 3a51D-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 MET A  74
ILE A  76
ILE A 229
THR A 234
VAL A 277
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.67A 3a51E-2xkrA:
45.2		 3a51E-2xkrA:
35.97
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 303
MET A 280
ILE A 138
ILE A 229
 None
HEM  A1400 ( 4.4A)
None
PG4  A1399 ( 4.5A)
 0.95A 3gcsA-2xkrA:
undetectable		 3gcsA-2xkrA:
25.17
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.
3GV1_B_BEZB303_0
(DISULFIDE
INTERCHANGE PROTEIN)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 4 LEU A 113
ALA A 136
VAL A 137
PRO A 134
 None
 1.17A 3gv1B-2xkrA:
undetectable		 3gv1B-2xkrA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_A_CAMA423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.70A 3lxiA-2xkrA:
44.2		 3lxiA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_B_CAMB423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.72A 3lxiB-2xkrA:
43.8		 3lxiB-2xkrA:
26.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 159
LEU A 163
LEU A 226
ILE A 229
THR A 234
 None
PG4  A1399 (-4.8A)
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.66A 3r9cA-2xkrA:
42.5		 3r9cA-2xkrA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 159
LEU A 226
ILE A 229
THR A 234
VAL A 277
 None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.67A 3r9cA-2xkrA:
42.5		 3r9cA-2xkrA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 MET A  74
ILE A  76
LEU A 159
LEU A 226
ILE A 229
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
 0.93A 3vrmA-2xkrA:
45.1		 3vrmA-2xkrA:
36.36
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.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 226
GLY A 230
THR A 234
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
None
 0.53A 3wriA-2xkrA:
45.2		 3wriA-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRI_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 226
GLY A 230
THR A 234
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
None
 0.53A 3wriB-2xkrA:
45.3		 3wriB-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRK_D_CAMD502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 226
GLY A 230
THR A 234
VAL A 277
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.90A 3wrkD-2xkrA:
43.6		 3wrkD-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRK_D_CAMD502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 226
GLY A 230
THR A 234
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
None
 0.42A 3wrkD-2xkrA:
43.6		 3wrkD-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9K_B_CAMB424_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 9 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.85A 4c9kB-2xkrA:
44.2		 4c9kB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  65
GLY A 231
THR A 234
VAL A 277
VAL A 381
 None
HEM  A1400 (-3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.85A 4c9lA-2xkrA:
44.5		 4c9lA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  65
LEU A 226
THR A 234
VAL A 277
VAL A 381
 None
HEM  A1400 (-4.4A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.62A 4c9lA-2xkrA:
44.5		 4c9lA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.70A 4c9lA-2xkrA:
44.5		 4c9lA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9L_B_CAMB1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  65
GLY A 231
THR A 234
VAL A 277
VAL A 381
 None
HEM  A1400 (-3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.88A 4c9lB-2xkrA:
44.3		 4c9lB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9L_B_CAMB1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  65
LEU A 226
THR A 234
VAL A 277
VAL A 381
 None
HEM  A1400 (-4.4A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.59A 4c9lB-2xkrA:
44.3		 4c9lB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9L_B_CAMB1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.74A 4c9lB-2xkrA:
44.3		 4c9lB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9N_A_CAMA1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 226
GLY A 230
THR A 234
VAL A 277
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.87A 4c9nA-2xkrA:
44.2		 4c9nA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  65
GLY A 231
THR A 234
VAL A 277
VAL A 381
 None
HEM  A1400 (-3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.83A 4c9oA-2xkrA:
44.3		 4c9oA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  65
LEU A 226
THR A 234
VAL A 277
VAL A 381
 None
HEM  A1400 (-4.4A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.67A 4c9oA-2xkrA:
44.3		 4c9oA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.74A 4c9oA-2xkrA:
44.3		 4c9oA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  65
GLY A 231
THR A 234
VAL A 277
VAL A 381
 None
HEM  A1400 (-3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.84A 4c9oB-2xkrA:
44.1		 4c9oB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  65
LEU A 226
THR A 234
VAL A 277
VAL A 381
 None
HEM  A1400 (-4.4A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.67A 4c9oB-2xkrA:
44.1		 4c9oB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.74A 4c9oB-2xkrA:
44.1		 4c9oB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 142
LEU A 215
THR A 224
ILE A 227
ARG A 214
 None
None
None
HEM  A1400 (-3.6A)
None
 1.12A 4hytA-2xkrA:
undetectable		 4hytA-2xkrA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYT_C_OBNC2004_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 142
LEU A 215
THR A 224
ILE A 227
ARG A 214
 None
None
None
HEM  A1400 (-3.6A)
None
 1.13A 4hytC-2xkrA:
undetectable		 4hytC-2xkrA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JX1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.65A 4jx1B-2xkrA:
46.0		 4jx1B-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 8 MET A 387
LEU A 361
LEU A 364
LEU A 247
ILE A 114
 None
 1.41A 4klaA-2xkrA:
undetectable		 4klaA-2xkrA:
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 7 PHE A 380
ILE A  65
PHE A 305
ARG A 282
 None
None
HEM  A1400 ( 4.3A)
HEM  A1400 (-3.1A)
 1.08A 4o7gA-2xkrA:
1.5
4o7gB-2xkrA:
1.5		 4o7gA-2xkrA:
18.00
4o7gB-2xkrA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 GLY A 139
ILE A 227
LEU A 345
LEU A 113
 None
HEM  A1400 (-3.6A)
HEM  A1400 ( 4.7A)
None
 0.74A 4o8fA-2xkrA:
undetectable		 4o8fA-2xkrA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  76
LEU A  72
LEU A 163
ILE A 229
 HEM  A1400 (-4.1A)
None
PG4  A1399 (-4.8A)
PG4  A1399 ( 4.5A)
 0.79A 4rmjA-2xkrA:
undetectable		 4rmjA-2xkrA:
22.17
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.
4XTA_B_DIFB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 8 ILE A  65
LEU A 225
LEU A 228
MET A  74
 None
None
None
PG4  A1399 ( 4.4A)
 0.96A 4xtaB-2xkrA:
undetectable		 4xtaB-2xkrA:
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.
5CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 9 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.85A 5cp4A-2xkrA:
44.7		 5cp4A-2xkrA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_3
(PROTEASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		3 / 3 ASP A 311
VAL A  49
LEU A 331
 None
 0.61A 5e5jB-2xkrA:
undetectable		 5e5jB-2xkrA:
13.03
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.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 7 GLY A 231
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.77A 5ik1A-2xkrA:
44.6		 5ik1A-2xkrA:
28.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 GLY A  64
ASN A  61
ASP A  77
ARG A  66
 None
 1.38A 6dwdB-2xkrA:
undetectable
6dwdD-2xkrA:
undetectable		 6dwdB-2xkrA:
21.34
6dwdD-2xkrA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 ARG A  66
GLY A  64
ASN A  61
ASP A  77
 None
 1.36A 6dwjB-2xkrA:
undetectable
6dwjD-2xkrA:
0.3		 6dwjB-2xkrA:
21.34
6dwjD-2xkrA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 VAL A 160
LEU A 163
SER A 164
GLY A 231
GLY A 383
 None
PG4  A1399 (-4.8A)
None
HEM  A1400 (-3.2A)
None
 0.78A 6eu9B-2xkrA:
2.0		 6eu9B-2xkrA:
9.56
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.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 VAL A 160
LEU A 163
SER A 164
GLY A 383
ARG A 236
 None
PG4  A1399 (-4.8A)
None
None
None
 0.90A 6eu9B-2xkrA:
2.0		 6eu9B-2xkrA:
9.56