SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1whs'

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.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		4 / 7 GLY A  52
PRO A  54
ASP A 112
HIS A 150
 ACY  A 460 (-4.0A)
None
None
None
 0.41A 1gxsA-1whsA:
31.8
1gxsB-1whsA:
undetectable		 1gxsA-1whsA:
55.89
1gxsB-1whsA:
17.70
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		4 / 8 ALA A  59
TYR A  60
GLY A 100
GLY A  55
 None
ACY  A 460 ( 4.5A)
None
None
 0.78A 1rukH-1whsA:
undetectable
1rukL-1whsA:
undetectable		 1rukH-1whsA:
20.23
1rukL-1whsA:
21.97
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_B_SAMB601_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 SER A 156
GLY A 144
PHE A 172
TYR A 141
ALA A 148
 None
 1.34A 2avdB-1whsA:
undetectable		 2avdB-1whsA:
21.13
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.
2Q8H_A_TF4A438_1
([PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		4 / 6 LEU A 123
TYR A 120
ILE A 142
ILE A 167
 None
 0.88A 2q8hA-1whsA:
undetectable		 2q8hA-1whsA:
21.62
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		4 / 8 LEU A   4
PRO A   8
LEU A  79
PHE A  14
 None
 0.84A 2vcvF-1whsA:
undetectable		 2vcvF-1whsA:
22.30
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 11 GLY A  27
GLY A  25
ASP A  23
ARG A 114
ALA A  97
 NAG  A1133 (-3.3A)
None
None
None
None
 1.10A 3g88A-1whsA:
undetectable		 3g88A-1whsA:
21.30
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.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 11 GLY A  27
GLY A  25
ASP A  23
ARG A 114
ALA A  97
 NAG  A1133 (-3.3A)
None
None
None
None
 1.10A 3g88B-1whsA:
undetectable		 3g88B-1whsA:
21.30
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 11 GLY A  27
GLY A  25
ASP A  23
ARG A 114
ALA A  97
 NAG  A1133 (-3.3A)
None
None
None
None
 1.10A 3g89B-1whsA:
undetectable		 3g89B-1whsA:
21.30
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A  27
GLY A  25
ASP A  23
ARG A 114
ALA A  97
 NAG  A1133 (-3.3A)
None
None
None
None
 1.08A 3g8bA-1whsA:
undetectable		 3g8bA-1whsA:
21.30
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.
4LUH_A_ACTA610_0
(SERUM ALBUMIN)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		3 / 3 VAL A 198
SER A 199
THR A 202
 None
 0.47A 4luhA-1whsA:
undetectable		 4luhA-1whsA:
16.98
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.
4QZT_B_ACTB201_0
(RETINOL-BINDING
PROTEIN 2)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		4 / 5 TYR A 133
GLU A  36
LEU A  46
GLN A  42
 None
GOL  A 450 (-4.0A)
None
GOL  A 450 (-4.3A)
 1.27A 4qztB-1whsA:
undetectable		 4qztB-1whsA:
19.48
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.
4YPM_A_BO2A801_1
(LON PROTEASE)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 ALA A 229
THR A 226
LEU A 206
THR A 188
GLY A 196
 None
 1.20A 4ypmA-1whsA:
undetectable		 4ypmA-1whsA:
19.93
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		4 / 5 TYR A 239
GLY A  53
TYR A  60
GLY A  61
 None
ACY  A 460 ( 4.3A)
ACY  A 460 ( 4.5A)
None
 0.62A 5ayfA-1whsA:
undetectable		 5ayfA-1whsA:
21.14
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.
5CCL_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A 175
ASN A 176
GLU A 145
ASN A  51
TYR A 151
 None
None
ACY  A 460 ( 4.3A)
ACY  A 460 (-3.8A)
None
 1.39A 5cclA-1whsA:
undetectable		 5cclA-1whsA:
20.70
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.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 ALA A   9
VAL A  10
GLY A   6
ALA A  76
PHE A  69
 None
 1.12A 5n5dA-1whsA:
undetectable		 5n5dA-1whsA:
22.26
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.
5V37_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A 175
ASN A 176
GLU A 145
ASN A  51
TYR A 151
 None
None
ACY  A 460 ( 4.3A)
ACY  A 460 (-3.8A)
None
 1.33A 5v37A-1whsA:
undetectable		 5v37A-1whsA:
20.70
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.
5XXG_A_SAMA502_0
(SMYD3)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A 175
ASN A 176
GLU A 145
ASN A  51
TYR A 151
 None
None
ACY  A 460 ( 4.3A)
ACY  A 460 (-3.8A)
None
 1.34A 5xxgA-1whsA:
undetectable		 5xxgA-1whsA:
21.03
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.
5XXJ_A_SAMA505_0
(SMYD3)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A 175
ASN A 176
GLU A 145
ASN A  51
TYR A 151
 None
None
ACY  A 460 ( 4.3A)
ACY  A 460 (-3.8A)
None
 1.34A 5xxjA-1whsA:
undetectable		 5xxjA-1whsA:
21.03