SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4uy6'

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.
1DF7_A_MTXA501_2
(DIHYDROFOLATE
REDUCTASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
3 / 3 TRP A 307
ARG A  60
THR A  68
None
None
TRS  A1801 (-4.0A)
0.88A 1df7A-4uy6A:
2.0
1df7A-4uy6A:
21.05
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.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 ALA A  77
ILE A 164
LEU A  85
LEU A  82
LEU A 183
None
1.10A 1eiiA-4uy6A:
undetectable
1eiiA-4uy6A:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 11 GLU A 295
SER A 317
LEU A 191
ALA A 319
LEU A 189
None
1.08A 1hwkB-4uy6A:
undetectable
1hwkB-4uy6A:
21.53
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 11 GLU A 295
SER A 317
LEU A 191
ALA A 319
LEU A 189
None
1.11A 1hwkA-4uy6A:
undetectable
1hwkA-4uy6A:
21.53
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 11 GLU A 295
SER A 317
LEU A 191
ALA A 319
LEU A 189
None
1.09A 1hwkD-4uy6A:
undetectable
1hwkD-4uy6A:
21.53
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 11 GLU A 295
SER A 317
LEU A 191
ALA A 319
LEU A 189
None
1.08A 1hwkC-4uy6A:
undetectable
1hwkC-4uy6A:
21.53
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLU A  84
GLY A  86
GLY A  88
ASP A 115
ASP A 141
SAH  A 801 ( 4.6A)
SAH  A 801 (-3.0A)
SAH  A 801 (-3.2A)
None
SAH  A 801 (-3.7A)
0.64A 1qaoA-4uy6A:
9.1
1qaoA-4uy6A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_B_CHDB1130_0
(FATTY ACID-BINDING
PROTEIN)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 183
LEU A 296
ILE A 164
ILE A 149
LEU A 146
None
1.03A 1tw4B-4uy6A:
undetectable
1tw4B-4uy6A:
18.15
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.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 ALA A  76
LEU A 190
LEU A 318
LEU A  66
LEU A 156
None
1.01A 1xdkB-4uy6A:
undetectable
1xdkB-4uy6A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_F_9CRF1600_1
(RETINOIC ACID
RECEPTOR, BETA)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 ALA A  76
LEU A 190
LEU A 318
LEU A  66
LEU A 156
None
1.02A 1xdkF-4uy6A:
undetectable
1xdkF-4uy6A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
ASP A 141
LEU A  85
GLY A  86
None
SAH  A 801 ( 3.7A)
SAH  A 801 (-3.7A)
None
SAH  A 801 (-3.0A)
1.19A 1xwfA-4uy6A:
4.4
1xwfA-4uy6A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
ASP A 141
LEU A  85
GLY A  86
None
SAH  A 801 ( 3.7A)
SAH  A 801 (-3.7A)
None
SAH  A 801 (-3.0A)
1.17A 1xwfB-4uy6A:
4.4
1xwfB-4uy6A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
ASP A 141
LEU A  85
GLY A  86
None
SAH  A 801 ( 3.7A)
SAH  A 801 (-3.7A)
None
SAH  A 801 (-3.0A)
1.19A 1xwfC-4uy6A:
2.7
1xwfC-4uy6A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 HIS A 151
VAL A 157
LEU A  85
VAL A  83
LEU A 146
None
0.96A 2aw1A-4uy6A:
undetectable
2aw1A-4uy6A:
20.30
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.
2F8L_A_SAMA400_1
(HYPOTHETICAL PROTEIN
LMO1582)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
4 / 4 THR A  93
THR A  89
ASP A 113
ASP A 141
None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.7A)
1.29A 2f8lA-4uy6A:
11.2
2f8lA-4uy6A:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
4 / 8 HIS A 151
VAL A 157
VAL A  83
LEU A 146
None
0.87A 2gehA-4uy6A:
undetectable
2gehA-4uy6A:
20.30
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.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
4 / 6 THR A  93
THR A  89
ASP A 113
ASP A 141
None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.7A)
1.19A 2okcA-4uy6A:
9.2
2okcA-4uy6A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
4 / 6 THR A  93
ARG A  94
ASP A 113
ASP A 141
None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.7A)
0.99A 2okcB-4uy6A:
9.2
2okcB-4uy6A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
4 / 6 THR A  93
THR A  89
ASP A 113
ASP A 141
None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.7A)
1.21A 2okcB-4uy6A:
9.2
2okcB-4uy6A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.40A 2zj0A-4uy6A:
4.6
2zj0A-4uy6A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.37A 3ce6A-4uy6A:
3.5
3ce6A-4uy6A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 11 GLU A  84
GLY A  86
GLY A  88
VAL A 114
ASP A 141
SAH  A 801 ( 4.6A)
SAH  A 801 (-3.0A)
SAH  A 801 (-3.2A)
SAH  A 801 (-4.1A)
SAH  A 801 (-3.7A)
0.60A 3dxyA-4uy6A:
10.9
3dxyA-4uy6A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.08A 3g1uC-4uy6A:
4.3
3g1uC-4uy6A:
22.91
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.
3LP9_D_SPMD230_1
(LS-24)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
3 / 3 GLU A 248
GLU A 295
ASN A 291
None
0.89A 3lp9B-4uy6A:
undetectable
3lp9D-4uy6A:
undetectable
3lp9B-4uy6A:
22.22
3lp9D-4uy6A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
3 / 3 GLY A  88
ASP A 113
ASP A 141
SAH  A 801 (-3.2A)
SAH  A 801 (-3.0A)
SAH  A 801 (-3.7A)
0.30A 3ou7C-4uy6A:
15.4
3ou7C-4uy6A:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 ASP A  45
ASP A 115
ASP A 113
GLY A  86
PHE A 159
None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.0A)
None
1.13A 3prsA-4uy6A:
undetectable
3prsA-4uy6A:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLU A  84
GLY A  86
GLY A  88
THR A  89
ASP A 141
SAH  A 801 ( 4.6A)
SAH  A 801 (-3.0A)
SAH  A 801 (-3.2A)
None
SAH  A 801 (-3.7A)
0.63A 3sglA-4uy6A:
7.7
3sglA-4uy6A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SM2_A_478A126_2
(GAG-PRO-POL
POLYPROTEIN)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 11 VAL A 224
GLY A  25
ALA A  24
LEU A 221
LEU A 228
None
0.99A 3sm2B-4uy6A:
undetectable
3sm2B-4uy6A:
16.20
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.
3W68_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 267
PHE A 273
VAL A  22
LEU A  33
VAL A 220
None
1.20A 3w68A-4uy6A:
undetectable
3w68A-4uy6A:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
3 / 3 ASP A  48
ARG A  60
THR A  89
None
0.66A 4i13A-4uy6A:
2.9
4i13A-4uy6A:
19.44
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.
4K13_A_ETSA304_1
(CARBONIC ANHYDRASE 2)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 HIS A 151
VAL A 157
LEU A  85
VAL A  83
LEU A 146
None
0.99A 4k13A-4uy6A:
undetectable
4k13A-4uy6A:
20.77
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.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.12A 4lvcA-4uy6A:
2.2
4lvcA-4uy6A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.07A 4lvcC-4uy6A:
4.6
4lvcC-4uy6A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2V_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 189
HIS A 151
VAL A 157
VAL A  83
LEU A 146
None
0.97A 4m2vA-4uy6A:
undetectable
4m2vA-4uy6A:
20.88
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.
4M2W_A_ETSA302_1
(CARBONIC ANHYDRASE 2)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
6 / 12 LEU A 189
HIS A 151
VAL A 157
LEU A  85
VAL A  83
LEU A 146
None
1.08A 4m2wA-4uy6A:
undetectable
4m2wA-4uy6A:
20.77
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
3 / 3 ASP A  48
ARG A  60
THR A  89
None
0.67A 4p3rA-4uy6A:
2.0
4p3rA-4uy6A:
19.44
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.
4PFJ_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.08A 4pfjA-4uy6A:
4.1
4pfjA-4uy6A:
22.88
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.
4QWP_A_GCSA303_1
(CHITOSANASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
4 / 6 GLU A 282
TYR A 206
ILE A  50
THR A 213
HIS  A 800 (-3.0A)
HIS  A 800 (-4.4A)
HIS  A 800 ( 4.2A)
HIS  A 800 ( 4.5A)
1.43A 4qwpA-4uy6A:
undetectable
4qwpA-4uy6A:
25.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_B_GCSB302_1
(CHITOSANASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
4 / 5 GLU A 282
TYR A 206
ILE A  50
THR A 213
HIS  A 800 (-3.0A)
HIS  A 800 (-4.4A)
HIS  A 800 ( 4.2A)
HIS  A 800 ( 4.5A)
1.44A 4qwpB-4uy6A:
undetectable
4qwpB-4uy6A:
25.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A  25
LEU A 167
PHE A 159
PHE A 142
GLY A  86
None
None
None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.0A)
1.04A 4ze1A-4uy6A:
undetectable
4ze1A-4uy6A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE2_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A  25
LEU A 167
PHE A 159
PHE A 142
GLY A  86
None
None
None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.0A)
1.10A 4ze2A-4uy6A:
undetectable
4ze2A-4uy6A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXA_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.08A 5axaA-4uy6A:
4.2
5axaA-4uy6A:
21.75
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.
5AXA_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.08A 5axaC-4uy6A:
4.3
5axaC-4uy6A:
21.75
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.
5BW4_A_SAMA301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A  86
GLY A  88
THR A  93
ASP A 113
LEU A 160
SAH  A 801 (-3.0A)
SAH  A 801 (-3.2A)
None
SAH  A 801 (-3.0A)
SAH  A 801 ( 4.9A)
0.96A 5bw4A-4uy6A:
10.3
5bw4A-4uy6A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESK_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A  25
LEU A 167
PHE A 159
PHE A 142
GLY A  86
None
None
None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.0A)
1.06A 5eskA-4uy6A:
undetectable
5eskA-4uy6A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 ALA A  24
LEU A 167
PHE A 159
PHE A 142
GLY A  86
None
None
None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.0A)
1.21A 5fsaA-4uy6A:
2.1
5fsaA-4uy6A:
21.24
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.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A  25
LEU A 167
PHE A 159
PHE A 142
GLY A  86
None
None
None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.0A)
1.01A 5fsaB-4uy6A:
undetectable
5fsaB-4uy6A:
21.24
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.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.07A 5m5kA-4uy6A:
4.5
5m5kA-4uy6A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.08A 5m5kB-4uy6A:
4.4
5m5kB-4uy6A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.06A 5m66B-4uy6A:
4.2
5m66B-4uy6A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_H_SAMH501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 10 GLY A 153
VAL A 157
LEU A 156
THR A  81
ALA A  79
None
0.76A 5o96G-4uy6A:
undetectable
5o96H-4uy6A:
3.7
5o96G-4uy6A:
21.01
5o96H-4uy6A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.03A 5v96A-4uy6A:
2.6
5v96A-4uy6A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_B_ADNB502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.04A 5v96B-4uy6A:
2.3
5v96B-4uy6A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_C_ADNC502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.04A 5v96C-4uy6A:
2.6
5v96C-4uy6A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_D_ADND502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.03A 5v96D-4uy6A:
2.6
5v96D-4uy6A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.09A 6aphA-4uy6A:
4.4
6aphA-4uy6A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A  86
ASP A 113
ASP A 115
VAL A 118
ASP A 141
SAH  A 801 (-3.0A)
SAH  A 801 (-3.0A)
None
None
SAH  A 801 (-3.7A)
0.75A 6bq4A-4uy6A:
10.8
6bq4A-4uy6A:
12.34
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A  86
ASP A 113
ASP A 115
VAL A 118
ASP A 141
SAH  A 801 (-3.0A)
SAH  A 801 (-3.0A)
None
None
SAH  A 801 (-3.7A)
0.69A 6bq4B-4uy6A:
10.8
6bq4B-4uy6A:
12.34
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.
6GBN_A_ADNA501_1
(-)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.08A 6gbnA-4uy6A:
3.4
6gbnA-4uy6A:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_B_ADNB501_1
(-)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.08A 6gbnB-4uy6A:
3.2
6gbnB-4uy6A:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_D_ADND501_1
(-)
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.08A 6gbnD-4uy6A:
3.2
6gbnD-4uy6A:
24.23