SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HMD'


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.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
4 / 6 LEU X  34
ILE X 115
MET X 120
ARG X 171
HMD  X 400 ( 4.3A)
None
None
None
1.05A 1opjB-2pmoX:
20.4
1opjB-2pmoX:
24.86
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.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
4 / 6 LEU X  34
LYS X  55
ILE X 115
ARG X 171
HMD  X 400 ( 4.3A)
HMD  X 400 (-4.2A)
None
None
0.94A 1opjB-2pmoX:
20.4
1opjB-2pmoX:
24.86
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.
2YFX_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
5 / 8 LEU X  34
ALA X  53
MET X 120
LEU X 179
ASP X 190
HMD  X 400 ( 4.3A)
HMD  X 400 (-3.5A)
None
HMD  X 400 (-4.7A)
HMD  X 400 (-3.7A)
0.55A 2yfxA-2pmoX:
21.7
2yfxA-2pmoX:
24.01
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
6 / 10 ARG X  32
LEU X  34
ALA X  53
LYS X  55
MET X 120
LEU X 179
None
HMD  X 400 ( 4.3A)
HMD  X 400 (-3.5A)
HMD  X 400 (-4.2A)
None
HMD  X 400 (-4.7A)
0.86A 3aoxA-2pmoX:
21.4
3aoxA-2pmoX:
24.23
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
5 / 12 ALA X  53
LEU X 101
MET X 120
LEU X 179
ASP X 190
HMD  X 400 (-3.5A)
HMD  X 400 (-4.2A)
None
HMD  X 400 (-4.7A)
HMD  X 400 (-3.7A)
0.38A 3zbfA-2pmoX:
18.5
3zbfA-2pmoX:
22.98
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.
4C8B_B_0LIB1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
3 / 3 TYR X 119
MET X 120
ILE X 178
HMD  X 400 (-4.5A)
None
None
0.92A 4c8bB-2pmoX:
3.2
4c8bB-2pmoX:
25.53
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.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
6 / 10 LEU X  34
GLY X  37
ALA X  53
TYR X 119
SER X 124
LEU X 179
HMD  X 400 ( 4.3A)
None
HMD  X 400 (-3.5A)
HMD  X 400 (-4.5A)
None
HMD  X 400 (-4.7A)
0.60A 4ckjA-2pmoX:
25.2
4ckjA-2pmoX:
24.26
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.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
5 / 8 GLY X  37
ALA X  53
LYS X  55
MET X 120
LEU X 179
None
HMD  X 400 (-3.5A)
HMD  X 400 (-4.2A)
None
HMD  X 400 (-4.7A)
0.72A 4l9iB-2pmoX:
26.3
4l9iB-2pmoX:
24.16
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.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
3 / 3 LEU X 101
LEU X  89
ASN X  40
HMD  X 400 (-4.2A)
None
None
0.44A 4otwA-2pmoX:
1.7
4otwA-2pmoX:
19.52
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.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
6 / 11 ALA X  53
LYS X  55
ILE X 115
TYR X 119
LEU X 179
ASP X 190
HMD  X 400 (-3.5A)
HMD  X 400 (-4.2A)
None
HMD  X 400 (-4.5A)
HMD  X 400 (-4.7A)
HMD  X 400 (-3.7A)
0.76A 4qmsA-2pmoX:
30.0
4qmsA-2pmoX:
29.36
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.
4QRC_A_0LIA802_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
4 / 8 LEU X  34
LYS X  55
HIS X 170
LEU X 179
HMD  X 400 ( 4.3A)
HMD  X 400 (-4.2A)
None
HMD  X 400 (-4.7A)
0.80A 4qrcA-2pmoX:
21.6
4qrcA-2pmoX:
21.91
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.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
6 / 12 ALA X  53
LYS X  55
LEU X 101
ILE X 115
SER X 124
PHE X 191
HMD  X 400 (-3.5A)
HMD  X 400 (-4.2A)
HMD  X 400 (-4.2A)
None
None
None
0.95A 4rzvA-2pmoX:
22.5
4rzvA-2pmoX:
25.00
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
8 / 11 LEU X  34
GLY X  37
ALA X  53
TYR X 119
MET X 120
ASN X 177
LEU X 179
ASP X 190
HMD  X 400 ( 4.3A)
None
HMD  X 400 (-3.5A)
HMD  X 400 (-4.5A)
None
HMD  X 400 (-4.6A)
HMD  X 400 (-4.7A)
HMD  X 400 (-3.7A)
0.49A 4u5jA-2pmoX:
23.8
4u5jA-2pmoX:
23.20
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
6 / 9 LEU X  34
ALA X  53
TYR X 119
MET X 120
LEU X 179
ASP X 190
HMD  X 400 ( 4.3A)
HMD  X 400 (-3.5A)
HMD  X 400 (-4.5A)
None
HMD  X 400 (-4.7A)
HMD  X 400 (-3.7A)
0.78A 4u5jB-2pmoX:
23.0
4u5jB-2pmoX:
23.20
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.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
5 / 12 LEU X  34
ALA X  53
ILE X  95
HIS X 170
LEU X 179
HMD  X 400 ( 4.3A)
HMD  X 400 (-3.5A)
None
None
HMD  X 400 (-4.7A)
0.53A 4uxqA-2pmoX:
21.4
4uxqA-2pmoX:
22.13
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.
4WBO_B_ANWB601_0
(RHODOPSIN KINASE)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
4 / 8 LEU X  34
ALA X  53
LEU X 179
SER X 189
HMD  X 400 ( 4.3A)
HMD  X 400 (-3.5A)
HMD  X 400 (-4.7A)
HMD  X 400 ( 3.9A)
0.32A 4wboB-2pmoX:
26.2
4wboB-2pmoX:
21.42
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
5 / 6 ARG X  32
LEU X  34
ALA X  53
MET X 120
LEU X 179
None
HMD  X 400 ( 4.3A)
HMD  X 400 (-3.5A)
None
HMD  X 400 (-4.7A)
0.79A 4wboC-2pmoX:
26.9
4wboC-2pmoX:
21.42
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
5 / 12 ALA X  53
LYS X  55
LEU X 101
ASP X 190
PHE X 191
HMD  X 400 (-3.5A)
HMD  X 400 (-4.2A)
HMD  X 400 (-4.2A)
HMD  X 400 (-3.7A)
None
0.72A 4xv2A-2pmoX:
22.0
4xv2A-2pmoX:
24.86
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
5 / 12 ALA X  53
LYS X  55
LEU X 101
ASP X 190
PHE X 191
HMD  X 400 (-3.5A)
HMD  X 400 (-4.2A)
HMD  X 400 (-4.2A)
HMD  X 400 (-3.7A)
None
0.65A 4xv2B-2pmoX:
22.4
4xv2B-2pmoX:
24.86
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.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
5 / 12 ARG X  32
LEU X  34
ALA X  53
ILE X 115
LEU X 179
None
HMD  X 400 ( 4.3A)
HMD  X 400 (-3.5A)
None
HMD  X 400 (-4.7A)
0.55A 5h2uC-2pmoX:
5.2
5h2uC-2pmoX:
24.37
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.
5P9I_A_1E8A701_2
(TYROSINE-PROTEIN
KINASE BTK)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
4 / 5 LEU X  34
TYR X 119
MET X 120
ASP X 190
HMD  X 400 ( 4.3A)
HMD  X 400 (-4.5A)
None
HMD  X 400 (-3.7A)
0.96A 5p9iA-2pmoX:
21.4
5p9iA-2pmoX:
26.22
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.
5ZV2_B_LEVB801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum)
3 / 3 TYR X 119
LEU X 179
ASP X 190
HMD  X 400 (-4.5A)
HMD  X 400 (-4.7A)
HMD  X 400 (-3.7A)
0.67A 5zv2B-2pmoX:
20.7
5zv2B-2pmoX:
12.43