SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qwu'

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.
1CMA_A_SAMA105_0
(PROTEIN (MET
REPRESSOR))		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		4 / 8 GLU A 344
ARG A 333
ARG A 342
GLU A 134
 None
 0.88A 1cmaA-3qwuA:
undetectable
1cmaB-3qwuA:
undetectable		 1cmaA-3qwuA:
18.09
1cmaB-3qwuA:
18.09
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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		4 / 7 ARG A  97
ILE A  54
TYR A  51
GLU A 129
 ADN  A 501 (-4.2A)
ADN  A 501 ( 4.4A)
ADN  A 501 (-4.7A)
ADN  A 501 (-3.0A)
 0.94A 1oniD-3qwuA:
undetectable
1oniF-3qwuA:
1.9		 1oniD-3qwuA:
16.44
1oniF-3qwuA:
16.44
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.
3BOG_D_DVAD10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		3 / 3 GLY A  99
GLY A  50
GLY A  39
 None
 0.39A 3bogD-3qwuA:
undetectable		 3bogD-3qwuA:
11.05
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.
3TBG_D_RTZD2_1
(CYTOCHROME P450 2D6)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		5 / 9 PHE A 215
LEU A 202
GLU A 266
LEU A  64
ILE A 198
 None
 0.98A 3tbgD-3qwuA:
undetectable		 3tbgD-3qwuA:
19.96
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.
4M5M_A_DX4A401_0
(2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		4 / 8 THR A 229
LEU A 234
TYR A 231
ASN A 206
 None
 1.07A 4m5mA-3qwuA:
undetectable		 4m5mA-3qwuA:
18.59
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.
4MI4_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		4 / 7 GLU A 129
GLU A  76
GLU A 211
ARG A 210
 ADN  A 501 (-3.0A)
GOL  A 603 ( 3.1A)
CA  A 601 ( 4.7A)
GOL  A 603 (-3.8A)
 1.09A 4mi4B-3qwuA:
undetectable
4mi4C-3qwuA:
undetectable		 4mi4B-3qwuA:
19.40
4mi4C-3qwuA:
19.40
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.
4MI4_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		4 / 7 TYR A 144
GLU A 129
GLU A  76
GLU A 211
 GOL  A 603 ( 3.9A)
ADN  A 501 (-3.0A)
GOL  A 603 ( 3.1A)
CA  A 601 ( 4.7A)
 1.01A 4mi4A-3qwuA:
undetectable
4mi4C-3qwuA:
undetectable		 4mi4A-3qwuA:
19.40
4mi4C-3qwuA:
19.40
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.
4MJ8_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		4 / 8 GLU A 129
GLU A  76
GLU A 211
ARG A 210
 ADN  A 501 (-3.0A)
GOL  A 603 ( 3.1A)
CA  A 601 ( 4.7A)
GOL  A 603 (-3.8A)
 1.07A 4mj8B-3qwuA:
undetectable
4mj8C-3qwuA:
undetectable		 4mj8B-3qwuA:
21.37
4mj8C-3qwuA:
21.37
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.
4N48_B_SAMB601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		4 / 5 ASN A 135
GLY A 132
ASP A 155
ASP A  79
 None
None
None
CA  A 601 (-3.1A)
 1.15A 4n48B-3qwuA:
undetectable		 4n48B-3qwuA:
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.
4WS0_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		4 / 7 TYR A 227
SER A 230
PHE A 262
ASN A 206
 None
 1.07A 4ws0A-3qwuA:
undetectable		 4ws0A-3qwuA:
20.35
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.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		4 / 6 THR A 105
ASP A 107
ARG A 108
LEU A 109
 None
 1.14A 5tdzA-3qwuA:
undetectable		 5tdzA-3qwuA:
24.12
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.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3qwu DNA LIGASE
(Aquifex
aeolicus) 		5 / 12 LEU A  95
GLY A  99
VAL A   7
ARG A  28
VAL A  16
 None
 1.39A 6bxlB-3qwuA:
undetectable		 6bxlB-3qwuA:
23.39