SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1qdq'

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
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))		 1qdq CATHEPSIN B
(Bos
taurus) 		7 / 10 GLN A  23
GLY A  27
SER A  28
TRP A  30
PHE A  32
HIS A 199
ALA A 200
 074  A 254 ( 3.1A)
074  A 254 ( 3.3A)
None
None
None
074  A 254 ( 3.9A)
074  A 254 ( 4.3A)
 0.30A 1stfE-1qdqA:
27.5
1stfI-1qdqA:
undetectable		 1stfE-1qdqA:
32.20
1stfI-1qdqA:
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.
2AVD_A_SAMA501_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 1qdq CATHEPSIN B
(Bos
taurus) 		5 / 12 GLY A  33
SER A 220
VAL A 247
ALA A  79
ALA A  34
 None
 1.42A 2avdA-1qdqA:
undetectable		 2avdA-1qdqA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 1qdq CATHEPSIN B
(Bos
taurus) 		6 / 7 GLN A  23
GLY A  27
HIS A 110
HIS A 111
HIS A 199
TRP A 221
 074  A 254 ( 3.1A)
074  A 254 ( 3.3A)
074  A 254 ( 3.6A)
074  A 254 ( 3.9A)
074  A 254 ( 3.9A)
074  A 254 (-3.5A)
 0.44A 3ai8A-1qdqA:
45.0		 3ai8A-1qdqA:
88.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AI8_B_HNQB255_1
(CATHEPSIN B)		 1qdq CATHEPSIN B
(Bos
taurus) 		5 / 6 GLN A  23
GLY A  27
HIS A 110
HIS A 111
TRP A 221
 074  A 254 ( 3.1A)
074  A 254 ( 3.3A)
074  A 254 ( 3.6A)
074  A 254 ( 3.9A)
074  A 254 (-3.5A)
 0.42A 3ai8B-1qdqA:
44.9		 3ai8B-1qdqA:
88.24
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 1qdq CATHEPSIN B
(Bos
taurus) 		3 / 4 SER A 220
GLY A  74
GLU A  66
 None
074  A 254 (-4.3A)
None
 0.59A 3raeA-1qdqA:
undetectable
3raeC-1qdqA:
undetectable		 3raeA-1qdqA:
17.79
3raeC-1qdqA:
20.45
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_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 1qdq CATHEPSIN B
(Bos
taurus) 		5 / 8 ASP A 238
ILE A 242
GLY A 241
VAL A 217
SER A 220
 None
 1.37A 4acbB-1qdqA:
undetectable
4acbC-1qdqA:
undetectable		 4acbB-1qdqA:
18.64
4acbC-1qdqA:
18.64
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.
4D33_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1qdq CATHEPSIN B
(Bos
taurus) 		4 / 8 ASN A 156
GLU A 243
ILE A 160
TRP A 215
 None
 1.09A 4d33A-1qdqA:
undetectable		 4d33A-1qdqA:
19.20
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.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1qdq CATHEPSIN B
(Bos
taurus) 		5 / 9 SER A 220
ASN A 222
ILE A  20
GLY A 229
ASP A 224
 None
 1.32A 4fxsA-1qdqA:
undetectable		 4fxsA-1qdqA:
20.13
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.
4JUO_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA)		 1qdq CATHEPSIN B
(Bos
taurus) 		3 / 4 SER A 220
GLY A  74
GLU A  66
 None
074  A 254 (-4.3A)
None
 0.51A 4juoA-1qdqA:
undetectable
4juoC-1qdqA:
undetectable		 4juoA-1qdqA:
17.79
4juoC-1qdqA:
16.92
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.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1qdq CATHEPSIN B
(Bos
taurus) 		3 / 3 PRO A 102
VAL A  89
HIS A 145
 None
 0.84A 4pevC-1qdqA:
undetectable		 4pevC-1qdqA:
19.95
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.
5JSD_B_1GNB603_1
(PHIAB6 TAILSPIKE)		 1qdq CATHEPSIN B
(Bos
taurus) 		3 / 3 VAL A 208
GLU A 243
GLU A 157
 None
 0.87A 5jsdB-1qdqA:
0.0
5jsdC-1qdqA:
0.0		 5jsdB-1qdqA:
16.06
5jsdC-1qdqA:
16.06
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1qdq CATHEPSIN B
(Bos
taurus) 		5 / 10 PHE A 231
ILE A 242
PHE A 180
TRP A 225
GLY A 198
 None
None
None
None
074  A 254 (-4.7A)
 1.49A 5lbtA-1qdqA:
undetectable
5lbtB-1qdqA:
undetectable		 5lbtA-1qdqA:
22.91
5lbtB-1qdqA:
22.91
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.
5YW0_A_ACTA409_0
(UNCHARACTERIZED
PROTEIN KDOO)		 1qdq CATHEPSIN B
(Bos
taurus) 		3 / 3 ASP A   6
PHE A 230
ARG A 202
 None
 1.12A 5yw0A-1qdqA:
0.0		 5yw0A-1qdqA:
20.30