SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ioq'

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.
1C4D_A_DVAA6_0
(GRAMICIDIN A)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
3 / 3 ALA A  33
VAL A 164
TRP A   7
None
1.00A 1c4dA-3ioqA:
undetectable
1c4dB-3ioqA:
undetectable
1c4dA-3ioqA:
15.07
1c4dB-3ioqA:
15.07
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.
1C4D_B_DVAB6_0
(GRAMICIDIN A)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
3 / 3 TRP A   7
ALA A  33
VAL A 164
None
0.93A 1c4dA-3ioqA:
undetectable
1c4dB-3ioqA:
undetectable
1c4dA-3ioqA:
15.07
1c4dB-3ioqA:
15.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
7 / 10 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
E64  A 301 (-3.2A)
E64  A 301 ( 3.1A)
None
None
None
E64  A 301 ( 4.4A)
E64  A 301 (-3.3A)
1.25A 1stfE-3ioqA:
39.4
1stfI-3ioqA:
0.9
1stfE-3ioqA:
67.14
1stfI-3ioqA:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
8 / 10 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 159
ALA A 160
E64  A 301 (-3.2A)
E64  A 301 ( 3.1A)
None
E64  A 301 (-4.9A)
None
None
E64  A 301 (-3.8A)
E64  A 301 ( 4.4A)
0.42A 1stfE-3ioqA:
39.4
1stfI-3ioqA:
0.9
1stfE-3ioqA:
67.14
1stfI-3ioqA:
18.27
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.
1XZX_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA-1)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
5 / 12 ILE A 171
ILE A 173
ALA A 163
ILE A 157
HIS A 159
None
None
None
E64  A 301 ( 4.3A)
E64  A 301 (-3.8A)
1.23A 1xzxX-3ioqA:
undetectable
1xzxX-3ioqA:
19.14
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.
3AI8_A_HNQA255_1
(CATHEPSIN B)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
4 / 7 GLN A  19
GLY A  23
HIS A 159
TRP A 177
E64  A 301 (-3.2A)
E64  A 301 ( 3.1A)
E64  A 301 (-3.8A)
EDO  A 508 (-4.7A)
0.44A 3ai8A-3ioqA:
27.4
3ai8A-3ioqA:
27.82
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.
3RGF_A_BAXA465_2
(CYCLIN-DEPENDENT
KINASE 8)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
4 / 7 LEU A 121
VAL A 202
VAL A 130
ASP A 205
None
None
None
SO4  A 407 (-3.3A)
0.95A 3rgfA-3ioqA:
undetectable
3rgfA-3ioqA:
18.90
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
4 / 5 THR A 155
GLY A 198
PRO A 196
ASN A 195
None
1.10A 3u8qA-3ioqA:
undetectable
3u8qA-3ioqA:
20.40
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
4 / 7 ASN A 116
ARG A 115
ARG A 112
GLY A 201
None
EDO  A 504 (-4.9A)
None
None
0.99A 4cp3A-3ioqA:
undetectable
4cp3B-3ioqA:
undetectable
4cp3A-3ioqA:
18.63
4cp3B-3ioqA:
18.63
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
5 / 12 ARG A 188
GLY A 146
ARG A 145
VAL A  13
VAL A 164
None
None
EDO  A 502 ( 4.4A)
None
None
1.39A 4ffwA-3ioqA:
undetectable
4ffwA-3ioqA:
14.09
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.
5IH0_A_ACTA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
4 / 6 PHE A 208
ARG A 124
PRO A 129
ILE A 127
None
1.46A 5ih0A-3ioqA:
undetectable
5ih0A-3ioqA:
20.06
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)
3ioq CMS1MS2
(Vasconcellea
cundinamarcensis)
5 / 7 GLY A 147
GLY A 146
GLY A 182
GLY A 185
GLY A 184
None
0.85A 6ag0A-3ioqA:
undetectable
6ag0A-3ioqA:
13.11