SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3r9b'

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.
2EJF_A_ADNA2001_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLU A 389
ALA A 284
PRO A 388
ALA A 283
 None
 0.90A 2ejfA-3r9bA:
undetectable		 2ejfA-3r9bA:
20.05
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.
2QQC_E_AG2E671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ILE A 121
LEU A 227
LEU A 367
GLY A 368
 None
None
HEM  A 501 ( 4.3A)
HEM  A 501 (-3.4A)
 0.96A 2qqcD-3r9bA:
undetectable
2qqcE-3r9bA:
undetectable		 2qqcD-3r9bA:
13.78
2qqcE-3r9bA:
10.69
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.
2XN7_A_T44A1355_1
(THYROXINE-BINDING
GLOBULIN)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLN A  16
LEU A  19
SER A 307
LEU A 328
LEU A 190
 None
 1.14A 2xn7A-3r9bA:
undetectable
2xn7B-3r9bA:
undetectable		 2xn7A-3r9bA:
22.73
2xn7B-3r9bA:
6.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZGW_A_ADNA1301_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLU A 389
ALA A 284
PRO A 388
ALA A 283
 None
 0.84A 2zgwA-3r9bA:
undetectable		 2zgwA-3r9bA:
20.05
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.
2ZGW_B_ADNB1302_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 6 GLU A 389
ALA A 284
PRO A 388
ALA A 283
 None
 0.88A 2zgwB-3r9bA:
undetectable		 2zgwB-3r9bA:
20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 252
ILE A 255
ALA A 256
THR A 260
LEU A 184
 HEM  A 501 ( 4.5A)
D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
D12  A 509 ( 4.3A)
 0.94A 3a50A-3r9bA:
48.5		 3a50A-3r9bA:
39.73
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)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 11 LEU A 180
LEU A 252
ILE A 255
THR A 260
LEU A 184
 None
HEM  A 501 ( 4.5A)
D12  A 509 ( 4.1A)
HEM  A 501 (-3.4A)
D12  A 509 ( 4.3A)
 0.94A 3a50C-3r9bA:
49.2		 3a50C-3r9bA:
39.73
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)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 180
ILE A 255
ALA A 256
THR A 260
LEU A 184
 None
D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
D12  A 509 ( 4.3A)
 0.83A 3a50D-3r9bA:
48.9		 3a50D-3r9bA:
39.73
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)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 180
LEU A 252
ILE A 255
THR A 260
LEU A 184
 None
HEM  A 501 ( 4.5A)
D12  A 509 ( 4.1A)
HEM  A 501 (-3.4A)
D12  A 509 ( 4.3A)
 0.92A 3a50E-3r9bA:
49.0		 3a50E-3r9bA:
39.73
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.
3E4E_A_4PZA501_1
(CYTOCHROME P450 2E1)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ALA A 256
THR A 260
CYH A 366
 HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-2.3A)
 0.64A 3e4eA-3r9bA:
31.2		 3e4eA-3r9bA:
24.75
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.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ALA A 256
THR A 260
CYH A 366
 HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-2.3A)
 0.58A 3e4eB-3r9bA:
31.1		 3e4eB-3r9bA:
24.75
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.
3LTW_A_HLZA302_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 6 GLU A 295
PRO A 349
ARG A 298
HIS A 356
 None
 1.33A 3ltwA-3r9bA:
undetectable		 3ltwA-3r9bA:
24.69
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.
3ONN_A_ACTA270_0
(PROTEIN SSM1)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 5 LEU A 270
ARG A 405
LEU A 410
PRO A 396
 None
 1.37A 3onnA-3r9bA:
undetectable		 3onnA-3r9bA:
21.08
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)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A  95
ALA A 256
THR A 260
VAL A 303
THR A 403
 None
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
D12  A 509 ( 4.6A)
 1.06A 3r9cA-3r9bA:
62.5		 3r9cA-3r9bA:
100.00
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)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		9 / 10 LEU A 180
LEU A 184
LEU A 252
ILE A 255
ALA A 256
THR A 260
VAL A 303
VAL A 306
THR A 403
 None
D12  A 509 ( 4.3A)
HEM  A 501 ( 4.5A)
D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
D12  A 509 ( 4.5A)
D12  A 509 ( 4.6A)
 0.52A 3r9cA-3r9bA:
62.5		 3r9cA-3r9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA452_1
(CYTOCHROME P450
164A2)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		7 / 12 LEU A 100
LEU A 108
VAL A 112
ALA A 248
THR A 249
ASN A 251
LEU A 252
 None
None
None
None
None
None
HEM  A 501 ( 4.5A)
 0.93A 3r9cA-3r9bA:
62.5		 3r9cA-3r9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA452_1
(CYTOCHROME P450
164A2)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		8 / 12 SER A  71
LEU A 108
VAL A 112
ALA A 248
THR A 249
ASN A 251
LEU A 252
LEU A 367
 None
None
None
None
None
None
HEM  A 501 ( 4.5A)
HEM  A 501 ( 4.3A)
 0.75A 3r9cA-3r9bA:
62.5		 3r9cA-3r9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA452_1
(CYTOCHROME P450
164A2)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 SER A  71
PRO A  94
VAL A 112
THR A 249
LEU A 367
 None
None
None
None
HEM  A 501 ( 4.3A)
 0.83A 3r9cA-3r9bA:
62.5		 3r9cA-3r9bA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 255
ALA A 256
THR A 260
VAL A 303
LEU A 305
 D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
None
 0.93A 3s79A-3r9bA:
29.9		 3s79A-3r9bA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLU A 295
ASP A 348
ASP A 345
 None
 0.79A 4gc9A-3r9bA:
undetectable		 4gc9A-3r9bA:
20.36
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.
4L9Q_B_9TPB601_2
(SERUM ALBUMIN)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ARG A 209
GLU A 245
ASP A 210
ARG A 213
 None
 1.42A 4l9qB-3r9bA:
0.2		 4l9qB-3r9bA:
20.14
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.
4QVL_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.04A 4qvlK-3r9bA:
undetectable
4qvlL-3r9bA:
undetectable		 4qvlK-3r9bA:
20.39
4qvlL-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.03A 4qvlY-3r9bA:
undetectable
4qvlZ-3r9bA:
undetectable		 4qvlY-3r9bA:
20.39
4qvlZ-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.04A 4qvmK-3r9bA:
undetectable
4qvmL-3r9bA:
undetectable		 4qvmK-3r9bA:
20.39
4qvmL-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.04A 4qvmY-3r9bA:
undetectable
4qvmZ-3r9bA:
undetectable		 4qvmY-3r9bA:
20.39
4qvmZ-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.03A 4qvwK-3r9bA:
undetectable
4qvwL-3r9bA:
undetectable		 4qvwK-3r9bA:
20.39
4qvwL-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.03A 4qvwY-3r9bA:
undetectable
4qvwZ-3r9bA:
undetectable		 4qvwY-3r9bA:
20.39
4qvwZ-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.03A 4qw3K-3r9bA:
undetectable
4qw3L-3r9bA:
undetectable		 4qw3K-3r9bA:
20.64
4qw3L-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.03A 4qw3Y-3r9bA:
undetectable
4qw3Z-3r9bA:
undetectable		 4qw3Y-3r9bA:
20.64
4qw3Z-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_J_4LEJ401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		6 / 9 ALA A 382
LEU A 136
ALA A 379
LEU A 150
LEU A 146
ALA A 269
 None
 1.18A 4z91F-3r9bA:
undetectable
4z91G-3r9bA:
0.9
4z91H-3r9bA:
undetectable
4z91I-3r9bA:
undetectable
4z91J-3r9bA:
0.9		 4z91F-3r9bA:
20.09
4z91G-3r9bA:
20.09
4z91H-3r9bA:
20.09
4z91I-3r9bA:
20.09
4z91J-3r9bA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.03A 5bxnK-3r9bA:
undetectable
5bxnL-3r9bA:
undetectable		 5bxnK-3r9bA:
20.39
5bxnL-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.04A 5d0xK-3r9bA:
undetectable
5d0xL-3r9bA:
undetectable		 5d0xK-3r9bA:
20.83
5d0xL-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.03A 5d0xY-3r9bA:
undetectable
5d0xZ-3r9bA:
undetectable		 5d0xY-3r9bA:
20.83
5d0xZ-3r9bA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JKV_A_ASDA602_1
(AROMATASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 255
ALA A 256
THR A 260
VAL A 303
LEU A 305
 D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
None
 0.91A 5jkvA-3r9bA:
29.9		 5jkvA-3r9bA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JKW_A_TESA601_1
(AROMATASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 11 PHE A  99
THR A 260
VAL A 303
VAL A 306
LEU A 184
 None
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
D12  A 509 ( 4.5A)
D12  A 509 ( 4.3A)
 0.98A 5jkwA-3r9bA:
30.0		 5jkwA-3r9bA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLN A 304
THR A 403
LEU A  19
LEU A  22
 None
D12  A 509 ( 4.6A)
None
None
 1.27A 5m5kB-3r9bA:
undetectable		 5m5kB-3r9bA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLU A 294
LEU A 136
ALA A 289
THR A 129
LEU A 374
 None
 1.36A 5mm4B-3r9bA:
undetectable		 5mm4B-3r9bA:
11.11
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A 219
ARG A 221
ARG A 213
 None
 0.68A 5vcgA-3r9bA:
28.2		 5vcgA-3r9bA:
25.35
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.
6A7J_A_TESA502_0
(CYTOCHROME P450)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A  98
LEU A 252
ALA A 256
THR A 260
 HEM  A 501 (-4.1A)
HEM  A 501 ( 4.5A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
 0.74A 6a7jA-3r9bA:
44.0		 6a7jA-3r9bA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LYS A 361
LEU A 357
THR A 339
ILE A 340
ASP A  62
 None
 1.12A 6ie8A-3r9bA:
undetectable		 6ie8A-3r9bA:
21.03