SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2br4'

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.
1WOP_A_FFOA2887_1
(AMINOMETHYLTRANSFERA
SE)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
3 / 3 ASP A 187
GLU A  87
ARG A 121
MG  A 300 (-3.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.1A)
0.88A 1wopA-2br4A:
undetectable
1wopA-2br4A:
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
5 / 12 LEU A  88
LEU A  96
PHE A 145
GLY A 137
LEU A 119
None
1.07A 2aylA-2br4A:
undetectable
2aylA-2br4A:
17.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
10 / 12 GLU A  87
GLY A  89
TYR A  91
SER A  95
ARG A 117
ARG A 121
ASP A 138
CYH A 139
ALA A 161
ALA A 163
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.78A 2bm9A-2br4A:
34.4
2bm9A-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
11 / 12 LEU A  18
LEU A  64
GLU A  87
GLY A  89
TYR A  91
SER A  95
ARG A 121
ASP A 138
CYH A 139
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.65A 2bm9A-2br4A:
34.4
2bm9A-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
11 / 12 LEU A  18
LEU A  64
GLU A  87
GLY A  89
SER A  95
ASP A 116
ARG A 117
ARG A 121
ASP A 138
CYH A 139
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.9A)
SAM  A 301 ( 3.7A)
0.77A 2bm9B-2br4A:
33.8
2bm9B-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
11 / 12 LEU A  18
LEU A  64
LYS A  65
GLU A  87
GLY A  89
TYR A  91
ASN A  92
ARG A 121
CYH A 139
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
None
SAM  A 301 (-3.1A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.50A 2bm9C-2br4A:
34.5
2bm9C-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_C_SAMC301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
4 / 4 SER A  95
ASP A 116
ARG A 117
ASP A 138
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
0.47A 2bm9C-2br4A:
34.5
2bm9C-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
12 / 12 LEU A  18
LEU A  64
LYS A  65
GLU A  87
GLY A  89
TYR A  91
SER A  95
ARG A 117
ARG A 121
CYH A 139
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.53A 2bm9D-2br4A:
34.2
2bm9D-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
10 / 12 LEU A  18
LEU A  64
GLU A  87
GLY A  89
ASP A 116
ARG A 117
ARG A 121
ASP A 138
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.45A 2bm9E-2br4A:
34.4
2bm9E-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
10 / 12 LEU A  18
LEU A  64
GLU A  87
GLY A  89
ASP A 116
ARG A 117
ASP A 138
CYH A 139
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.57A 2bm9E-2br4A:
34.4
2bm9E-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
6 / 12 ASP A 116
ARG A 117
CYH A 139
ALA A 161
HIS A 162
ALA A 163
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
MG  A 300 ( 4.4A)
SAM  A 301 ( 3.7A)
0.97A 2bm9F-2br4A:
32.9
2bm9F-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
9 / 12 GLY A  17
LEU A  18
LEU A  64
GLY A  89
ASP A 116
ALA A 161
HIS A 162
ALA A 163
ASP A 187
P4C  A 500 (-4.0A)
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.6A)
MG  A 300 ( 4.4A)
SAM  A 301 ( 3.7A)
MG  A 300 (-3.3A)
0.64A 2bm9F-2br4A:
32.9
2bm9F-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
8 / 12 GLY A  17
LEU A  64
ASP A 116
CYH A 139
ALA A 161
HIS A 162
ALA A 163
ASP A 187
P4C  A 500 (-4.0A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
MG  A 300 ( 4.4A)
SAM  A 301 ( 3.7A)
MG  A 300 (-3.3A)
0.78A 2bm9F-2br4A:
32.9
2bm9F-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
6 / 12 GLY A  89
ASP A 116
ARG A 117
ALA A 161
HIS A 162
ALA A 163
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.6A)
MG  A 300 ( 4.4A)
SAM  A 301 ( 3.7A)
0.79A 2bm9F-2br4A:
32.9
2bm9F-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
6 / 12 LEU A  64
GLY A  89
ASP A 116
ARG A 117
ALA A 161
HIS A 162
SAM  A 301 (-4.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.6A)
MG  A 300 ( 4.4A)
1.21A 2bm9F-2br4A:
32.9
2bm9F-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
12 / 12 LEU A  18
LEU A  64
GLU A  87
GLY A  89
TYR A  91
SER A  95
ARG A 117
ARG A 121
CYH A 139
ASP A 160
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.9A)
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.03A 2br4A-2br4A:
38.4
2br4A-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
3 / 3 LYS A  65
ASP A 116
ASP A 138
SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
0.04A 2br4A-2br4A:
38.4
2br4A-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
12 / 12 LEU A  64
LYS A  65
GLU A  87
GLY A  89
TYR A  91
ASN A  92
ARG A 117
ARG A 121
CYH A 139
ASP A 160
ALA A 161
ALA A 163
SAM  A 301 (-4.2A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.9A)
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.66A 2br4B-2br4A:
35.3
2br4B-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_B_SAMB301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
4 / 4 LEU A  18
SER A  95
ASP A 116
ASP A 138
SAM  A 301 ( 4.4A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
0.24A 2br4B-2br4A:
35.3
2br4B-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
12 / 12 LEU A  18
LEU A  64
GLY A  89
TYR A  91
ARG A 117
ARG A 121
ASP A 138
CYH A 139
SER A 140
ASP A 160
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.9A)
None
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.51A 2br4C-2br4A:
35.7
2br4C-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_C_SAMC301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
4 / 4 LYS A  65
GLU A  87
SER A  95
ASP A 116
SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
0.19A 2br4C-2br4A:
35.7
2br4C-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
12 / 12 LEU A  18
LEU A  64
GLU A  87
GLY A  89
TYR A  91
SER A  95
ASP A 116
ARG A 117
ARG A 121
CYH A 139
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.34A 2br4D-2br4A:
34.9
2br4D-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
3 / 3 LYS A  65
ASP A 138
ASP A 160
SAM  A 301 (-2.6A)
SAM  A 301 (-3.7A)
MG  A 300 ( 3.6A)
0.19A 2br4D-2br4A:
34.9
2br4D-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
12 / 12 LEU A  18
LEU A  64
LYS A  65
GLU A  87
GLY A  89
TYR A  91
ARG A 117
ARG A 121
ASP A 138
ASP A 160
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.30A 2br4E-2br4A:
35.2
2br4E-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_E_SAME301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
3 / 3 SER A  95
ASP A 116
CYH A 139
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-2.9A)
0.40A 2br4E-2br4A:
35.2
2br4E-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
12 / 12 LEU A  18
LEU A  64
GLU A  87
GLY A  89
TYR A  91
SER A  95
ARG A 117
ARG A 121
ASP A 138
ASP A 160
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.49A 2br4F-2br4A:
34.9
2br4F-2br4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BR4_F_SAMF301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
3 / 3 LYS A  65
ASP A 116
CYH A 139
SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-2.9A)
0.33A 2br4F-2br4A:
34.9
2br4F-2br4A:
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.
2VAV_L_CSCL1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
4 / 4 THR A 103
LEU A 102
MET A 106
MET A 129
None
1.35A 2vavL-2br4A:
1.9
2vavL-2br4A:
20.22
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.
3A7E_A_SAMA216_1
(CATECHOL
O-METHYLTRANSFERASE)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
4 / 6 GLY A  89
SER A  95
ILE A 115
ASP A 160
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
None
MG  A 300 ( 3.6A)
0.78A 3a7eA-2br4A:
14.5
3a7eA-2br4A:
22.09
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
4 / 7 ARG A  81
VAL A 228
MET A 169
ILE A 184
None
0.94A 3gp0A-2br4A:
undetectable
3gp0A-2br4A:
21.91
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.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
4 / 8 ASP A 116
LEU A  96
CYH A 122
ASN A  92
SAM  A 301 (-3.0A)
None
None
None
1.03A 3lm8A-2br4A:
undetectable
3lm8C-2br4A:
undetectable
3lm8A-2br4A:
18.80
3lm8C-2br4A:
18.80
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.
4B53_B_ACTB1445_0
(IG GAMMA-4 CHAIN C
REGION)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
3 / 3 GLU A  87
GLY A  89
SER A  95
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
0.59A 4b53B-2br4A:
undetectable
4b53B-2br4A:
17.23
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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
5 / 12 GLY A  89
TYR A  91
SER A  95
ASP A 160
ALA A 161
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
0.77A 4ymgB-2br4A:
13.4
4ymgB-2br4A:
25.00
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.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
5 / 12 GLN A 111
ILE A  85
VAL A  86
PHE A 157
ARG A  83
None
1.07A 5ergB-2br4A:
9.4
5ergB-2br4A:
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.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
5 / 12 ILE A 113
GLY A 114
ASP A 160
LEU A 176
LEU A 177
None
None
MG  A 300 ( 3.6A)
None
None
1.24A 5nfjB-2br4A:
undetectable
5nfjB-2br4A:
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.
5NFJ_C_SAMC501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
5 / 12 ILE A 113
GLY A 114
ASP A 160
LEU A 176
LEU A 177
None
None
MG  A 300 ( 3.6A)
None
None
1.24A 5nfjC-2br4A:
undetectable
5nfjC-2br4A:
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.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
3 / 3 PHE A 183
ASP A 181
LEU A 216
None
0.75A 5uhcC-2br4A:
undetectable
5uhcC-2br4A:
10.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXC_A_ZITA307_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
4 / 5 ASP A 214
PRO A 154
GLU A 178
ARG A 231
None
1.32A 5uxcA-2br4A:
undetectable
5uxcA-2br4A:
23.26
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.
5ZW4_A_SAMA302_1
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus)
4 / 6 SER A  95
ARG A 117
ASP A 138
ASP A 160
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
MG  A 300 ( 3.6A)
1.12A 5zw4A-2br4A:
14.4
5zw4A-2br4A:
23.33