SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4c13'

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.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.91A 1cqeA-4c13A:
undetectable
1cqeA-4c13A:
21.28
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.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.91A 1cqeB-4c13A:
undetectable
1cqeB-4c13A:
21.28
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.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.89A 1eqhA-4c13A:
undetectable
1eqhA-4c13A:
21.28
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.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.91A 1eqhB-4c13A:
undetectable
1eqhB-4c13A:
21.28
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.
1HPV_B_478B200_2
(HIV-1 PROTEASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 9 ALA A 307
VAL A 108
ILE A 124
VAL A 195
ILE A 197
None
1.12A 1hpvB-4c13A:
undetectable
1hpvB-4c13A:
11.70
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.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 ALA A 307
VAL A 108
ILE A 124
VAL A 195
ILE A 197
None
1.03A 1hxbB-4c13A:
undetectable
1hxbB-4c13A:
13.98
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.
1UYU_B_CAMB1416_0
(CYTOCHROME P450-CAM)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 8 THR A 153
LEU A 188
VAL A 191
THR A 105
UML  A 598 (-4.6A)
None
None
K  A 605 (-3.1A)
1.18A 1uyuB-4c13A:
undetectable
1uyuB-4c13A:
20.34
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.
2A8T_B_ADNB252_1
(U8 SNORNA-BINDING
PROTEIN X29)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 8 GLY A 113
ILE A 117
ASN A 239
SER A 199
PO4  A 601 (-3.2A)
None
None
None
0.92A 2a8tB-4c13A:
undetectable
2a8tB-4c13A:
17.17
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)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.92A 2aylA-4c13A:
undetectable
2aylA-4c13A:
20.28
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_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.91A 2aylB-4c13A:
undetectable
2aylB-4c13A:
20.28
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.
2H79_A_T3A1_1
(THRA PROTEIN)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 ILE A 402
ILE A 439
ALA A 446
LEU A 347
ILE A 345
None
1.04A 2h79A-4c13A:
undetectable
2h79A-4c13A:
21.71
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
3 / 3 ASP A 444
THR A 404
PRO A 405
None
0.62A 2pynB-4c13A:
undetectable
2pynB-4c13A:
11.48
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.
2Q5K_A_AB1A201_1
(PROTEASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 9 ALA A 307
VAL A 108
ILE A 124
VAL A 195
ILE A 197
None
1.06A 2q5kA-4c13A:
undetectable
2q5kA-4c13A:
10.85
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
3 / 3 ASP A 444
THR A 404
PRO A 405
None
0.63A 2q64B-4c13A:
undetectable
2q64B-4c13A:
11.48
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
3 / 3 ASP A 444
THR A 404
PRO A 405
None
0.61A 2qakB-4c13A:
undetectable
2qakB-4c13A:
11.48
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.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
3 / 3 THR A  32
SER A 158
LYS A 162
None
1.18A 3aocC-4c13A:
undetectable
3aocC-4c13A:
18.26
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 ILE A 402
ILE A 439
ALA A 446
LEU A 347
ILE A 345
None
1.05A 3gwsX-4c13A:
undetectable
3gwsX-4c13A:
21.27
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.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.00A 3ln1C-4c13A:
undetectable
3ln1C-4c13A:
21.18
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.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.87A 3n8wA-4c13A:
undetectable
3n8wA-4c13A:
20.28
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.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.04A 3n8xA-4c13A:
undetectable
3n8xA-4c13A:
20.28
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.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 11 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.10A 3n8yA-4c13A:
undetectable
3n8yA-4c13A:
20.28
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.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.94A 3n8zA-4c13A:
undetectable
3n8zA-4c13A:
20.28
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.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.92A 3n8zB-4c13A:
undetectable
3n8zB-4c13A:
20.28
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.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.94A 3nt1A-4c13A:
undetectable
3nt1A-4c13A:
21.18
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.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.94A 3nt1B-4c13A:
undetectable
3nt1B-4c13A:
21.18
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.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.02A 3pghA-4c13A:
undetectable
3pghA-4c13A:
21.18
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.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.01A 3pghC-4c13A:
undetectable
3pghC-4c13A:
21.18
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.02A 3pghD-4c13A:
undetectable
3pghD-4c13A:
21.18
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
3 / 3 THR A 404
ASP A 475
GLU A 460
None
None
UML  A 598 (-3.1A)
0.65A 3qowA-4c13A:
2.4
3qowA-4c13A:
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.
3RR3_A_FLRA700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.95A 3rr3A-4c13A:
undetectable
3rr3A-4c13A:
22.76
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.
3RR3_B_FLRB700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.96A 3rr3B-4c13A:
undetectable
3rr3B-4c13A:
22.76
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.
4ACB_C_DXCC1478_0
(TRANSLATION
ELONGATION FACTOR
SELB)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 6 ASP A 282
ILE A 302
THR A 289
PHE A 283
None
1.01A 4acbC-4c13A:
4.3
4acbC-4c13A:
23.06
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.
4BB2_B_STRB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 11 ALA A  41
SER A  42
GLN A  21
THR A  77
ILE A  38
None
UML  A 598 ( 3.8A)
None
None
None
1.38A 4bb2A-4c13A:
undetectable
4bb2B-4c13A:
undetectable
4bb2A-4c13A:
21.61
4bb2B-4c13A:
6.64
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.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.96A 4coxA-4c13A:
undetectable
4coxA-4c13A:
21.18
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.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.94A 4coxB-4c13A:
undetectable
4coxB-4c13A:
21.18
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.94A 4coxC-4c13A:
undetectable
4coxC-4c13A:
21.18
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.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.96A 4coxD-4c13A:
undetectable
4coxD-4c13A:
21.18
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 6 ARG A 335
GLY A 113
GLU A 177
MET A 391
PO4  A 601 (-3.9A)
PO4  A 601 (-3.2A)
MG  A 503 (-2.8A)
None
1.21A 4g0vB-4c13A:
undetectable
4g0vB-4c13A:
21.98
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.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 6 TYR A 351
ARG A 335
THR A 115
GLY A 136
UML  A 598 ( 4.3A)
PO4  A 601 (-3.9A)
MG  A 503 ( 3.7A)
None
1.02A 4l39A-4c13A:
undetectable
4l39A-4c13A:
22.41
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.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.09A 4otyB-4c13A:
undetectable
4otyB-4c13A:
21.18
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.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 6 THR A 152
GLU A 177
THR A 153
HIS A 209
UML  A 598 (-4.0A)
MG  A 503 (-2.8A)
UML  A 598 (-4.6A)
None
1.07A 4pgfA-4c13A:
undetectable
4pgfA-4c13A:
21.02
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_GCSB307_1
(CHITOSANASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 7 GLU A 460
THR A 137
THR A 152
HIS A 353
UML  A 598 (-3.1A)
MG  A 503 (-3.3A)
UML  A 598 (-4.0A)
UML  A 598 ( 3.9A)
0.79A 4qwpB-4c13A:
undetectable
4qwpB-4c13A:
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.
4RRW_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.06A 4rrwA-4c13A:
undetectable
4rrwA-4c13A:
21.18
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.
4RRW_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.05A 4rrwB-4c13A:
undetectable
4rrwB-4c13A:
21.18
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.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.07A 4rrwC-4c13A:
undetectable
4rrwC-4c13A:
21.18
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.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.06A 4rrwD-4c13A:
undetectable
4rrwD-4c13A:
21.18
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.
4RRZ_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.06A 4rrzA-4c13A:
undetectable
4rrzA-4c13A:
21.18
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.
4RRZ_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.05A 4rrzB-4c13A:
undetectable
4rrzB-4c13A:
21.18
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.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.07A 4rrzC-4c13A:
undetectable
4rrzC-4c13A:
21.18
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.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.06A 4rrzD-4c13A:
undetectable
4rrzD-4c13A:
21.18
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 4 ALA A 398
VAL A 394
GLY A 423
THR A 425
None
1.14A 4ubeA-4c13A:
5.5
4ubeA-4c13A:
23.61
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 11 GLY A 298
PHE A 300
ASP A 241
SER A 303
PHE A 281
None
1.19A 4wnuC-4c13A:
undetectable
4wnuC-4c13A:
21.70
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.
4XQE_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 ALA A 380
ASN A 407
PRO A 408
GLU A 460
TYR A 462
UML  A 598 ( 4.1A)
UML  A 598 (-4.5A)
None
UML  A 598 (-3.1A)
None
1.42A 4xqeA-4c13A:
3.6
4xqeA-4c13A:
23.52
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.
4XQE_B_AG2B504_1
(HOMOSPERMIDINE
SYNTHASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 ALA A 380
ASN A 407
PRO A 408
GLU A 460
TYR A 462
UML  A 598 ( 4.1A)
UML  A 598 (-4.5A)
None
UML  A 598 (-3.1A)
None
1.44A 4xqeB-4c13A:
3.7
4xqeB-4c13A:
23.52
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.
4XRG_B_AG2B502_1
(HOMOSPERMIDINE
SYNTHASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 ALA A 380
ASN A 407
PRO A 408
GLU A 460
TYR A 462
UML  A 598 ( 4.1A)
UML  A 598 (-4.5A)
None
UML  A 598 (-3.1A)
None
1.42A 4xrgB-4c13A:
undetectable
4xrgB-4c13A:
23.52
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 6 VAL A 452
ILE A 445
ALA A 442
ALA A 482
None
0.80A 4zf8A-4c13A:
undetectable
4zf8A-4c13A:
23.08
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.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 7 TYR A 247
GLY A 216
ALA A 218
SER A 220
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
0.91A 5f1aB-4c13A:
undetectable
5f1aB-4c13A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
3 / 3 THR A 404
ASP A 475
GLU A 460
None
None
UML  A 598 (-3.1A)
0.59A 5fa8A-4c13A:
4.0
5fa8A-4c13A:
17.03
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.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.10A 5ikrA-4c13A:
undetectable
5ikrA-4c13A:
21.03
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.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.12A 5ikrB-4c13A:
undetectable
5ikrB-4c13A:
21.03
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.
5IWU_A_ACTA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 6 PHE A 300
TYR A 259
MET A 120
ILE A 117
None
1.20A 5iwuA-4c13A:
undetectable
5iwuA-4c13A:
23.12
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.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
0.98A 5jvzA-4c13A:
undetectable
5jvzA-4c13A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
1.01A 5jvzB-4c13A:
undetectable
5jvzB-4c13A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_A_Z80A401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 11 ILE A 323
ILE A 322
VAL A 292
ILE A 305
ALA A 308
None
1.04A 5lg3A-4c13A:
undetectable
5lg3A-4c13A:
19.92
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.
5LG3_E_Z80E401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
5 / 12 ILE A 323
ILE A 322
VAL A 292
ILE A 305
ALA A 308
None
1.04A 5lg3E-4c13A:
undetectable
5lg3E-4c13A:
19.92
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.
5MVM_A_PFLA511_1
(PROTON-GATED ION
CHANNEL)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 8 ILE A 305
ALA A 308
ALA A 325
ILE A 322
None
0.75A 5mvmA-4c13A:
undetectable
5mvmB-4c13A:
undetectable
5mvmA-4c13A:
11.35
5mvmB-4c13A:
11.35
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 4 LEU A 376
MET A 358
ILE A 430
LEU A 420
None
1.38A 5nfpA-4c13A:
undetectable
5nfpA-4c13A:
20.17
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.
5WM2_A_ACTA605_0
(SALICYLATE-AMP
LIGASE)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
3 / 3 THR A 137
THR A 115
ARG A 335
MG  A 503 (-3.3A)
MG  A 503 ( 3.7A)
PO4  A 601 (-3.9A)
0.67A 5wm2A-4c13A:
undetectable
5wm2A-4c13A:
21.50
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.
5YBB_A_SAMA601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus)
4 / 5 THR A 404
ASP A 475
GLU A 460
ASN A 138
None
None
UML  A 598 (-3.1A)
None
1.39A 5ybbA-4c13A:
2.2
5ybbA-4c13A:
22.41