SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4bnq'

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.
2FQY_A_ADNA400_1
(MEMBRANE LIPOPROTEIN
TMPC)		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		5 / 12 ASP A  94
ASN A  10
GLY A 150
ASP A 152
ASP A  16
 None
PO4  A 800 (-4.9A)
None
None
None
 1.17A 2fqyA-4bnqA:
undetectable		 2fqyA-4bnqA:
21.79
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.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		4 / 7 TYR A 151
ARG A 178
ASN A  10
ALA A  85
 None
None
PO4  A 800 (-4.9A)
None
 1.27A 3frqB-4bnqA:
undetectable		 3frqB-4bnqA:
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		4 / 5 VAL A 118
PHE A  17
ILE A  65
PHE A  21
 None
 1.07A 3owxB-4bnqA:
undetectable		 3owxB-4bnqA:
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		4 / 6 PHE A 155
ILE A 154
PRO A 153
PHE A 115
 None
 1.27A 4fgkA-4bnqA:
undetectable		 4fgkA-4bnqA:
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.
4MMB_A_SREA603_1
(TRANSPORTER)		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		5 / 9 ASP A  67
VAL A  26
GLY A  12
SER A   8
GLY A  28
 None
None
None
PO4  A 800 (-2.4A)
None
 1.12A 4mmbA-4bnqA:
undetectable		 4mmbA-4bnqA:
17.60
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		4 / 8 ALA A   7
GLY A 123
THR A 128
VAL A 130
 None
 0.83A 4r20A-4bnqA:
undetectable		 4r20A-4bnqA:
17.93
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.
4RJD_B_TFPB204_1
(CALMODULIN)		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		4 / 8 LEU A  71
GLY A  70
GLU A  72
ALA A 181
 None
 0.83A 4rjdA-4bnqA:
undetectable
4rjdB-4bnqA:
undetectable		 4rjdA-4bnqA:
17.13
4rjdB-4bnqA:
17.13
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.
5IK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		4 / 5 PHE A  17
GLY A 133
ASP A  16
ILE A  20
 None
 0.97A 5ik1A-4bnqA:
undetectable		 5ik1A-4bnqA:
17.81
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.
5X6Y_A_SAMA902_0
(MRNA CAPPING ENZYME
P5)		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		5 / 12 LEU A 105
GLY A  78
ALA A  75
VAL A 116
PHE A  45
 None
 1.19A 5x6yA-4bnqA:
undetectable		 5x6yA-4bnqA:
14.16
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE
(Staphylococcus
aureus) 		5 / 12 ALA A 165
GLY A 137
ALA A 113
LEU A 105
LEU A 101
 None
 1.09A 5xxiA-4bnqA:
undetectable		 5xxiA-4bnqA:
18.88