SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4mqb'

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.
1N13_B_AG2B7011_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 5 GLU A  37
ARG A 177
ASP A  95
LEU A  98
 MES  A 301 (-4.4A)
None
None
None
 1.13A 1n13B-4mqbA:
undetectable
1n13C-4mqbA:
undetectable		 1n13B-4mqbA:
20.66
1n13C-4mqbA:
13.94
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  12
ASN A 145
ARG A 139
LEU A 131
VAL A 133
 PG4  A 302 (-4.4A)
None
None
None
None
 1.28A 4azsA-4mqbA:
undetectable		 4azsA-4mqbA:
17.22
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.
4AZW_A_SAMA1451_0
(WBDD)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  12
ASN A 145
ARG A 139
LEU A 131
VAL A 133
 PG4  A 302 (-4.4A)
None
None
None
None
 1.24A 4azwA-4mqbA:
undetectable		 4azwA-4mqbA:
20.23
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 8 TYR A  93
ASP A 126
VAL A  88
LEU A  74
 None
 1.02A 4f8hA-4mqbA:
undetectable
4f8hB-4mqbA:
undetectable		 4f8hA-4mqbA:
22.01
4f8hB-4mqbA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8H_C_RKEC401_1
(PROTON-GATED ION
CHANNEL)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 8 TYR A  93
ASP A 126
VAL A  88
LEU A  74
 None
 1.01A 4f8hC-4mqbA:
undetectable
4f8hD-4mqbA:
undetectable		 4f8hC-4mqbA:
22.01
4f8hD-4mqbA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 8 TYR A  93
ASP A 126
VAL A  88
LEU A  74
 None
 1.02A 4f8hD-4mqbA:
undetectable
4f8hE-4mqbA:
undetectable		 4f8hD-4mqbA:
22.01
4f8hE-4mqbA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8H_E_RKEE401_1
(PROTON-GATED ION
CHANNEL)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 8 VAL A  88
LEU A  74
TYR A  93
ASP A 126
 None
 1.02A 4f8hA-4mqbA:
undetectable
4f8hE-4mqbA:
undetectable		 4f8hA-4mqbA:
22.01
4f8hE-4mqbA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.24A 4zdyA-4mqbA:
undetectable		 4zdyA-4mqbA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESK_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.17A 5eskA-4mqbA:
undetectable		 5eskA-4mqbA:
19.25
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.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.24A 5eslA-4mqbA:
undetectable		 5eslA-4mqbA:
19.25
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.
5MUR_B_PFLB407_1
(PROTON-GATED ION
CHANNEL)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 7 TYR A 167
ILE A 170
ILE A 171
THR A 128
 None
 0.93A 5murB-4mqbA:
undetectable		 5murB-4mqbA:
17.84
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.
5VIM_A_SAMA301_1
(METHYLTRANSFERASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 4 SER A  13
THR A 128
ASP A 126
ASP A  91
 PG4  A 302 ( 3.8A)
None
None
None
 1.32A 5vimA-4mqbA:
undetectable		 5vimA-4mqbA:
24.11
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.
6B58_A_ACTA607_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 4 GLY A 122
ARG A  71
ASN A 121
LEU A 123
 None
 1.38A 6b58A-4mqbA:
undetectable		 6b58A-4mqbA:
18.12
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.
6E8Q_A_X2NA602_0
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.20A 6e8qA-4mqbA:
undetectable		 6e8qA-4mqbA:
17.56