SIMILAR PATTERNS OF AMINO ACIDS FOR 4KN0_A_MTXA301_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. 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.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE


(Rattus
norvegicus)
PF00248
(Aldo_ket_red)
5 ASP A  50
TYR A 216
GLN A 199
GLY A 264
SER A 166
None
1.33A 4kn0A-1ralA:
0.0
4kn0A-1ralA:
21.34
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa)
PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
5 PHE A 284
GLN A 294
ARG A 228
GLY A 226
SER A 231
None
1.20A 4kn0A-2vqdA:
0.0
4kn0A-2vqdA:
16.45
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans)
PF08241
(Methyltransf_11)
5 TYR A 187
TYR A 195
GLN A 346
ARG A 347
SER A 407
SAH  A 501 ( 4.1A)
OPE  A 502 (-3.9A)
None
OPE  A 502 (-3.9A)
None
1.36A 4kn0A-4ineA:
0.0
4kn0A-4ineA:
17.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens)
PF03024
(Folate_rec)
10 TYR A  76
PHE A  78
ASP A  97
TYR A 101
GLN A 116
ARG A 152
GLY A 153
TRP A 156
TRP A 187
SER A 190
FOL  A 301 (-3.8A)
FOL  A 301 ( 4.9A)
FOL  A 301 (-2.8A)
FOL  A 301 (-3.8A)
FOL  A 301 ( 4.8A)
FOL  A 301 (-4.0A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.7A)
FOL  A 301 (-3.5A)
FOL  A 301 (-2.6A)
0.82A 4kn0A-4kmzA:
36.9
4kn0A-4kmzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens)
PF03024
(Folate_rec)
11 TYR A  76
PHE A  78
ASP A  97
TYR A 101
GLN A 116
TRP A 118
ARG A 119
ARG A 152
GLY A 153
TRP A 156
TRP A 187
FOL  A 301 (-3.8A)
FOL  A 301 ( 4.9A)
FOL  A 301 (-2.8A)
FOL  A 301 (-3.8A)
FOL  A 301 ( 4.8A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.0A)
FOL  A 301 (-4.0A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.7A)
FOL  A 301 (-3.5A)
0.69A 4kn0A-4kmzA:
36.9
4kn0A-4kmzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA


(Homo sapiens)
PF03024
(Folate_rec)
6 PHE A  62
ASP A  81
GLY A 137
TRP A 140
TRP A 171
SER A 174
None
FOL  A 301 (-2.7A)
FOL  A 301 (-4.3A)
FOL  A 301 (-3.6A)
FOL  A 301 (-3.7A)
FOL  A 301 (-2.8A)
0.73A 4kn0A-4lrhA:
34.6
4kn0A-4lrhA:
77.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA


(Homo sapiens)
PF03024
(Folate_rec)
8 TYR A  60
PHE A  62
ASP A  81
TYR A  85
GLN A 100
TRP A 102
ARG A 103
TRP A 171
FOL  A 301 (-3.9A)
None
FOL  A 301 (-2.7A)
FOL  A 301 (-4.1A)
FOL  A 301 (-4.3A)
FOL  A 301 (-4.2A)
FOL  A 301 (-3.2A)
FOL  A 301 (-3.7A)
0.68A 4kn0A-4lrhA:
34.6
4kn0A-4lrhA:
77.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA


(Homo sapiens)
PF03024
(Folate_rec)
9 TYR A  60
PHE A  62
ASP A  81
TYR A  85
TRP A 102
ARG A 103
GLY A 137
TRP A 140
TRP A 171
FOL  A 301 (-3.9A)
None
FOL  A 301 (-2.7A)
FOL  A 301 (-4.1A)
FOL  A 301 (-4.2A)
FOL  A 301 (-3.2A)
FOL  A 301 (-4.3A)
FOL  A 301 (-3.6A)
FOL  A 301 (-3.7A)
0.64A 4kn0A-4lrhA:
34.6
4kn0A-4lrhA:
77.36
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans)
no annotation 5 PHE B 332
ASP B 307
ARG B 290
ARG B 300
GLY B 299
None
1.31A 4kn0A-5ve3B:
0.0
4kn0A-5ve3B:
19.14