SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4keq'

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.
1GTB_A_PZQA901_0
(GLUTATHIONE
S-TRANSFERASE)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
3 / 3 GLN A 212
TYR A 260
ARG A 261
None
0.77A 1gtbA-4keqA:
undetectable
1gtbA-4keqA:
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.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 HIS A  96
HIS A  98
GLY A 133
PHE A  99
ASP A 207
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-3.3A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
1.11A 1t69A-4keqA:
undetectable
1t69A-4keqA:
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 11 LEU A  62
HIS A  96
HIS A  98
PHE A  99
ASP A 207
None
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
1.21A 1zz1A-4keqA:
undetectable
1zz1A-4keqA:
23.24
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.
2Q0J_A_BEZA500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 10 ASP A 100
HIS A 185
ASP A 207
HIS A 252
HIS A  20
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
ZN  A 301 ( 3.3A)
None
1.08A 2q0jA-4keqA:
12.8
2q0jA-4keqA:
22.47
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.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 11 ASP A 100
HIS A 101
HIS A 185
ASP A 207
HIS A 252
ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
ZN  A 301 ( 3.3A)
0.57A 2q0jB-4keqA:
12.9
2q0jB-4keqA:
22.47
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 ASP A 100
ILE A  38
ASP A  50
ASP A 207
ALA A 209
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 2.1A)
None
1.46A 2qmjA-4keqA:
undetectable
2qmjA-4keqA:
14.48
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 ASP A 100
ILE A  38
ILE A  49
ASP A  50
ALA A 209
ZN  A 301 (-3.1A)
None
None
None
None
1.45A 2qmjA-4keqA:
undetectable
2qmjA-4keqA:
14.48
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.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
3 / 3 HIS A 185
HIS A  96
HIS A 189
ZN  A 302 (-3.3A)
ZN  A 302 (-3.4A)
None
0.71A 3ag4A-4keqA:
undetectable
3ag4A-4keqA:
19.20
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
3 / 3 CYH A 102
HIS A 101
PHE A  99
None
ZN  A 301 (-3.2A)
5PN  A 303 (-4.4A)
1.10A 3cr4X-4keqA:
undetectable
3cr4X-4keqA:
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.
3RQW_C_ACHC323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 8 PHE A 204
TYR A 260
LEU A   8
PHE A 257
None
1.05A 3rqwC-4keqA:
undetectable
3rqwD-4keqA:
undetectable
3rqwC-4keqA:
22.22
3rqwD-4keqA:
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.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 8 PHE A 204
TYR A 260
LEU A   8
PHE A 257
None
1.05A 3rqwI-4keqA:
undetectable
3rqwJ-4keqA:
undetectable
3rqwI-4keqA:
22.22
3rqwJ-4keqA:
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.
3RQW_J_ACHJ323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 8 TYR A 260
LEU A   8
PHE A 257
PHE A 204
None
1.04A 3rqwF-4keqA:
undetectable
3rqwJ-4keqA:
undetectable
3rqwF-4keqA:
22.22
3rqwJ-4keqA:
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.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 7 ILE A 187
GLU A 119
TYR A 134
HIS A 131
None
1.10A 4a97A-4keqA:
undetectable
4a97A-4keqA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 6 HIS A  96
HIS A 252
SER A 251
ASP A 170
ZN  A 302 (-3.4A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.9A)
None
1.21A 4blvA-4keqA:
undetectable
4blvA-4keqA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 10 HIS A  96
HIS A  98
ASP A 100
HIS A 185
HIS A 252
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
0.79A 4c1dB-4keqA:
14.7
4c1dB-4keqA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 11 HIS A  96
HIS A  98
ASP A 100
HIS A 185
HIS A 252
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
0.81A 4c1fA-4keqA:
14.8
4c1fB-4keqA:
15.6
4c1fA-4keqA:
23.88
4c1fB-4keqA:
23.88
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.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 9 HIS A  96
HIS A  98
ASP A 100
HIS A 185
HIS A 252
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
0.78A 4c1hA-4keqA:
5.5
4c1hA-4keqA:
22.39
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.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 10 GLY A 103
ASP A 100
GLY A  52
HIS A  96
HIS A 252
None
ZN  A 301 (-3.1A)
None
ZN  A 302 (-3.4A)
ZN  A 301 ( 3.3A)
1.13A 4c5nB-4keqA:
undetectable
4c5nB-4keqA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 8 HIS A  98
ASP A 100
HIS A 185
HIS A 252
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
0.82A 4exsB-4keqA:
14.1
4exsB-4keqA:
24.77
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.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 HIS A  96
HIS A  98
GLY A 133
PHE A  99
ASP A 207
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-3.3A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
1.14A 4lxzA-4keqA:
undetectable
4lxzA-4keqA:
22.53
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.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 HIS A  96
HIS A  98
GLY A 133
PHE A  99
ASP A 207
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-3.3A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
1.16A 4lxzC-4keqA:
undetectable
4lxzC-4keqA:
22.53
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 ASN A 105
ASP A  50
ILE A 206
SER A 251
HIS A 252
None
None
None
ZN  A 301 ( 4.9A)
ZN  A 301 ( 3.3A)
1.26A 4pooB-4keqA:
undetectable
4pooB-4keqA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 HIS A  96
HIS A  98
GLY A 133
PHE A  99
ASP A 207
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-3.3A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
1.24A 4qa0A-4keqA:
undetectable
4qa0A-4keqA:
21.69
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.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 HIS A  96
HIS A  98
GLY A 133
PHE A  99
ASP A 207
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-3.3A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
1.12A 4qa2A-4keqA:
undetectable
4qa2A-4keqA:
21.69
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.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 HIS A  96
HIS A  98
GLY A 133
PHE A  99
ASP A 207
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-3.3A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
1.11A 4qa2B-4keqA:
undetectable
4qa2B-4keqA:
21.69
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 8 HIS A  98
ASP A 100
HIS A 185
HIS A 252
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
0.87A 5a5zA-4keqA:
14.2
5a5zA-4keqA:
27.91
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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
6 / 11 HIS A  96
HIS A  98
ASP A 100
HIS A 101
HIS A 185
HIS A 252
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
0.56A 5ayaA-4keqA:
15.2
5ayaA-4keqA:
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 HIS A  96
HIS A  98
PHE A  99
ASP A 207
LEU A  16
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
5PN  A 303 ( 4.8A)
1.12A 5eenB-4keqA:
undetectable
5eenB-4keqA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 SER A 135
HIS A 185
HIS A  98
ASP A 207
LEU A  14
None
ZN  A 302 (-3.3A)
ZN  A 302 ( 3.2A)
ZN  A 301 ( 2.1A)
None
1.47A 5eenB-4keqA:
undetectable
5eenB-4keqA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 SER A 135
HIS A  96
HIS A  98
PHE A  99
ASP A 207
None
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
1.31A 5ef8A-4keqA:
undetectable
5ef8A-4keqA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 8 GLU A 119
HIS A 189
GLY A 184
HIS A  96
ASP A 207
None
None
None
ZN  A 302 (-3.4A)
ZN  A 301 ( 2.1A)
1.25A 5f8yA-4keqA:
undetectable
5f8yA-4keqA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 8 GLU A 119
HIS A 189
GLY A 184
HIS A  96
ASP A 207
None
None
None
ZN  A 302 (-3.4A)
ZN  A 301 ( 2.1A)
1.24A 5f8yB-4keqA:
undetectable
5f8yB-4keqA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 10 GLY A  80
GLY A  83
LEU A  79
LEU A  39
TYR A   7
None
1.20A 5hwkA-4keqA:
undetectable
5hwkA-4keqA:
25.50
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.
5HWK_B_BEZB301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 10 GLY A  80
GLY A  83
LEU A  79
LEU A  39
TYR A   7
None
1.19A 5hwkB-4keqA:
undetectable
5hwkB-4keqA:
25.50
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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
3 / 3 LYS A 178
ASP A 170
ILE A  38
None
0.61A 5kc4E-4keqA:
undetectable
5kc4E-4keqA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 10 HIS A  96
HIS A  98
HIS A 101
HIS A 185
ASP A 207
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.2A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
0.50A 5nzwA-4keqA:
2.3
5nzwA-4keqA:
20.89
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 8 HIS A  98
ASP A 100
HIS A 185
HIS A 252
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
0.91A 5zj8A-4keqA:
14.4
5zj8A-4keqA:
25.67
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.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
5 / 12 GLY A 103
PHE A  97
ASN A  94
GLU A 165
VAL A 120
None
None
None
None
GOL  A 305 (-3.8A)
1.08A 6bqgA-4keqA:
undetectable
6bqgA-4keqA:
14.46
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.
6MN4_B_AM2B301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 8 ASP A 207
HIS A 116
HIS A 101
GLU A 119
ZN  A 301 ( 2.1A)
None
ZN  A 301 (-3.2A)
None
1.18A 6mn4B-4keqA:
undetectable
6mn4B-4keqA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_B_AM2B301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)
4keq 4-PYRIDOXOLACTONASE
(Mesorhizobium
japonicum)
4 / 8 ASP A 207
HIS A 116
HIS A 101
GLU A 130
ZN  A 301 ( 2.1A)
None
ZN  A 301 (-3.2A)
None
1.28A 6mn4B-4keqA:
undetectable
6mn4B-4keqA:
23.68