SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'B07'


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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
8 / 12 ALA A  48
SER A  49
LYS A  52
TYR A 147
SER A 298
ASN A 300
LYS A 410
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-4.1A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
1.00A 1ghmA-3zvtA:
7.1
1ghmA-3zvtA:
20.94
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.
1HK3_A_T44A3003_1
(SERUM ALBUMIN)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
3 / 4 LYS A  52
ALA A  56
MET A 295
B07  A 500 (-3.4A)
None
None
0.98A 1hk3A-3zvtA:
undetectable
1hk3A-3zvtA:
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
8 / 12 ALA A  48
SER A  49
LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.65A 1i2wA-3zvtA:
20.3
1i2wA-3zvtA:
21.41
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
7 / 12 ALA A  48
SER A  49
LYS A  52
SER A 298
ASN A 300
THR A 393
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-3.2A)
0.67A 1i2wB-3zvtA:
20.5
1i2wB-3zvtA:
21.41
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
7 / 12 SER A  49
LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.62A 1ymxA-3zvtA:
20.8
1ymxA-3zvtA:
23.16
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 SER A  49
LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.58A 1ymxB-3zvtA:
21.0
1ymxB-3zvtA:
23.16
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.41A 3hlwA-3zvtA:
20.9
3hlwA-3zvtA:
22.94
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 SER A 298
ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.33A 3hlwB-3zvtA:
21.1
3hlwB-3zvtA:
22.94
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 LYS A  52
ASN A 300
LYS A 410
THR A 411
GLY A 412
B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.34A 3huoA-3zvtA:
20.9
3huoA-3zvtA:
22.94
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
4 / 8 LEU A 446
GLN A 449
SER A 418
ASN A 300
None
None
None
B07  A 500 ( 4.2A)
1.13A 3kp2A-3zvtA:
undetectable
3kp2B-3zvtA:
undetectable
3kp2A-3zvtA:
16.15
3kp2B-3zvtA:
16.15
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 ALA A  48
LYS A  52
ASN A 300
LEU A 349
THR A 411
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.9A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.62A 3mzeA-3zvtA:
19.4
3mzeA-3zvtA:
24.48
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 ALA A  48
SER A  49
LYS A  52
ASN A 300
THR A 411
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.71A 3mzeA-3zvtA:
19.4
3mzeA-3zvtA:
24.48
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.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 ASP A 345
GLY A 348
ALA A  48
ALA A 419
ASN A 438
None
B07  A 500 (-4.7A)
B07  A 500 (-3.8A)
None
None
1.10A 3p5nA-3zvtA:
undetectable
3p5nA-3zvtA:
16.99
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.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 ASP A 345
GLY A 348
ALA A  48
ALA A 419
ASN A 438
None
B07  A 500 (-4.7A)
B07  A 500 (-3.8A)
None
None
1.10A 3p5nB-3zvtA:
undetectable
3p5nB-3zvtA:
16.99
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.38A 3q07A-3zvtA:
20.7
3q07A-3zvtA:
22.94
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.38A 3q07B-3zvtA:
20.9
3q07B-3zvtA:
22.94
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
7 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.53A 3sh8A-3zvtA:
20.4
3sh8A-3zvtA:
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
7 / 12 ALA A  48
SER A  49
LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.60A 3sh8B-3zvtA:
20.3
3sh8B-3zvtA:
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
8 / 12 LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
THR A 413
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
0.76A 4euzA-3zvtA:
20.0
4euzA-3zvtA:
21.84
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
7 / 12 SER A 298
ASN A 300
LEU A 349
THR A 393
THR A 411
GLY A 412
THR A 413
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.9A)
B07  A 500 ( 4.8A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
0.91A 4euzA-3zvtA:
20.0
4euzA-3zvtA:
21.84
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
7 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.54A 4n9kA-3zvtA:
20.6
4n9kA-3zvtA:
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
7 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.56A 4n9kB-3zvtA:
20.5
4n9kB-3zvtA:
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.
4P7N_A_GCSA702_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
3 / 3 ASP A 142
TYR A 147
TRP A 139
None
B07  A 500 (-4.1A)
None
1.04A 4p7nA-3zvtA:
undetectable
4p7nA-3zvtA:
20.26
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.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.26A 4pm5A-3zvtA:
20.9
4pm5A-3zvtA:
22.48
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 LYS A  52
ASN A 300
THR A 393
LYS A 410
GLY A 412
B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.39A 4pm7A-3zvtA:
21.0
4pm7A-3zvtA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.73A 4pm7A-3zvtA:
21.0
4pm7A-3zvtA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.29A 4pm9A-3zvtA:
20.9
4pm9A-3zvtA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URO_A_NOVA2000_1
(DNA GYRASE SUBUNIT B)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 ASN A  50
SER A  49
PRO A 445
ILE A 435
SER A 421
None
B07  A 500 (-1.4A)
None
None
None
1.15A 4uroA-3zvtA:
undetectable
4uroA-3zvtA:
19.70
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.59A 5ghyA-3zvtA:
20.3
5ghyA-3zvtA:
22.35
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.56A 5ghyB-3zvtA:
20.4
5ghyB-3zvtA:
22.35
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
7 / 11 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.55A 5ghzA-3zvtA:
20.4
5ghzA-3zvtA:
22.35
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
7 / 10 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
0.53A 5ghzB-3zvtA:
20.5
5ghzB-3zvtA:
22.35
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 ILE A  12
SER A  49
ALA A 409
LEU A 420
ALA A 419
None
B07  A 500 (-1.4A)
None
None
None
1.19A 5oy02-3zvtA:
undetectable
5oy02-3zvtA:
10.14
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 SER A  49
SER A 298
THR A 393
LYS A 410
GLY A 412
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.63A 6b68D-3zvtA:
20.2
6b68D-3zvtA:
10.47
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 SER A  49
SER A 298
THR A 393
THR A 411
GLY A 412
THR A 413
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.8A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
0.88A 6b69D-3zvtA:
20.2
6b69D-3zvtA:
10.47
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 SER A 298
THR A 393
LYS A 410
THR A 411
GLY A 412
THR A 413
B07  A 500 (-1.4A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
0.68A 6b69D-3zvtA:
20.2
6b69D-3zvtA:
10.47
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
6 / 12 SER A 298
THR A 393
LYS A 410
THR A 411
GLY A 412
THR A 413
B07  A 500 (-1.4A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
0.80A 6b6dA-3zvtA:
20.0
6b6dA-3zvtA:
10.47
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp.
R39)
5 / 12 SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
0.34A 6c79A-3zvtA:
20.8
6c79A-3zvtA:
11.53