SIMILAR PATTERNS OF AMINO ACIDS FOR 4EIL_H_FOLH703_0

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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
ASP A  27
LYS A  29
ARG A  58
THR A 121
 None
 1.04A 4eilH-1cz3A:
11.5		 4eilH-1cz3A:
16.82
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
ASP A  53
SER A  58
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.38A 4eilH-2blbA:
15.1		 4eilH-2blbA:
18.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ASP A  48
LYS A  50
ARG A  94
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
 1.35A 4eilH-2h2qA:
36.8		 4eilH-2h2qA:
44.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 VAL A  26
ALA A  28
ASP A  48
PHE A  88
ARG A  94
THR A 178
 None
NAP  A 523 (-3.7A)
None
None
None
None
 0.64A 4eilH-2h2qA:
36.8		 4eilH-2h2qA:
44.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 VAL A   9
ALA A  11
ASP A  32
LYS A  34
SER A  37
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
None
MTX  A 605 ( 2.9A)
MTX  A 605 ( 4.2A)
 0.67A 4eilH-2oipA:
44.5		 4eilH-2oipA:
44.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 VAL A   9
ALA A  11
ASP A  32
SER A  37
ARG A  70
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 2.9A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.35A 4eilH-2oipA:
44.5		 4eilH-2oipA:
44.56
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 VAL A   9
ALA A  11
ASP A  31
ARG A  64
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.65A 4eilH-2w3wA:
13.8		 4eilH-2w3wA:
16.70
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LYS A  29
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.75A 4eilH-2w9sA:
13.4		 4eilH-2w9sA:
15.63
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 ALA A  16
ASP A  54
LYS A  56
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
None
RJ6  A 609 ( 4.5A)
 0.93A 4eilH-3dg8A:
15.2		 4eilH-3dg8A:
18.29
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 ALA A  16
ASP A  54
PHE A 116
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
None
RJ6  A 609 ( 4.5A)
 0.52A 4eilH-3dg8A:
15.2		 4eilH-3dg8A:
18.29
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 VAL A  32
ALA A  34
ASP A  54
ARG A 100
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
WRA  A 602 (-4.2A)
 0.24A 4eilH-3rg9A:
15.0		 4eilH-3rg9A:
19.97
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 VAL A   6
ALA A   8
ASP A  28
ARG A  67
THR A 133
 None
 0.40A 4eilH-3vcoA:
13.6		 4eilH-3vcoA:
16.44
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		5 ASP A  95
LYS A  99
SER A 100
ARG A 102
THR A  48
 None
 1.27A 4eilH-4binA:
undetectable		 4eilH-4binA:
21.02
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		5 VAL A  50
ASP A  95
LYS A  99
SER A 100
THR A  48
 None
 1.39A 4eilH-4binA:
undetectable		 4eilH-4binA:
21.02
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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		5 VAL A 749
ALA A 751
LYS A 960
SER A 957
PHE A 933
 None
None
NAP  A1201 (-2.9A)
None
None
 1.49A 4eilH-5msoA:
undetectable		 4eilH-5msoA:
19.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A   8
ALA A  10
ASP A  31
PHE A  32
LYS A  33
SER A  36
ARG A  97
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.7A)
None
None
None
73X  A 704 (-4.2A)
 0.79A 4eilH-5t0lA:
54.4		 4eilH-5t0lA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A   8
ALA A  10
ASP A  31
PHE A  32
SER A  36
PHE A  91
ARG A  97
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.7A)
None
73X  A 704 ( 4.2A)
None
73X  A 704 (-4.2A)
 0.23A 4eilH-5t0lA:
54.4		 4eilH-5t0lA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 VAL A 151
PHE A  32
LYS A  33
SER A  36
ARG A  97
 73X  A 704 ( 3.8A)
73X  A 704 (-4.7A)
None
None
None
 1.37A 4eilH-5t0lA:
54.4		 4eilH-5t0lA:
100.00
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.
5w1a MYOSIN HEAVY CHAIN,
MUSCLE

(Drosophila
melanogaster) 		no annotation 5 VAL A  62
ALA A  54
LYS A  35
SER A  37
THR A  55
 None
None
None
EDO  A2003 ( 4.7A)
None
 1.12A 4eilH-5w1aA:
undetectable		 4eilH-5w1aA:
undetectable
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 ALA A 393
ASP A 180
PHE A 157
PHE A 155
ARG A 402
 None
 1.33A 4eilH-6cboA:
undetectable		 4eilH-6cboA:
undetectable
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.
6e4e -

(-) 		no annotation 5 ALA A   7
ASP A  27
LYS A  29
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.93A 4eilH-6e4eA:
13.5		 4eilH-6e4eA:
undetectable