SIMILAR PATTERNS OF AMINO ACIDS FOR 4NX7_A_FOLA202_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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		4 ILE A  34
ASP A  27
ARG A  58
THR A 121
 None
 1.49A 4nx7A-1cz3A:
20.2		 4nx7A-1cz3A:
29.05
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		4 ILE A 457
ASP A 376
ARG A 619
THR A 372
 None
 1.49A 4nx7A-1fohA:
undetectable		 4nx7A-1fohA:
13.68
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ILE A 155
ASP A 520
ARG A 510
THR A 149
 None
 1.21A 4nx7A-1ileA:
undetectable		 4nx7A-1ileA:
10.66
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.
1kte THIOLTRANSFERASE

(Sus scrofa) 		PF00462
(Glutaredoxin) 		4 ILE A  47
ASP A  52
ARG A  67
THR A  50
 None
 1.48A 4nx7A-1kteA:
undetectable		 4nx7A-1kteA:
22.73
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.
1p5v F1 CAPSULE ANTIGEN

(Yersinia pestis) 		PF09255
(Antig_Caf1) 		4 ILE B  98
ASP B 111
ARG B  94
THR B  58
 None
 1.49A 4nx7A-1p5vB:
undetectable		 4nx7A-1p5vB:
20.71
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.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		4 ILE A  31
ASP A  61
ARG A  71
THR A  27
 None
 1.24A 4nx7A-1ydoA:
undetectable		 4nx7A-1ydoA:
16.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		4 ILE A   5
ASP A  27
ARG A  57
THR A 115
 None
None
SO4  A3484 (-3.3A)
None
 0.38A 4nx7A-1zdrA:
25.3		 4nx7A-1zdrA:
40.49
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) 		4 ILE A  13
ASP A  53
ARG A 131
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.34A 4nx7A-2blbA:
20.6		 4nx7A-2blbA:
24.59
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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		4 ILE A  43
ASP A  11
ARG A  57
THR A  17
 None
 1.11A 4nx7A-2hi0A:
undetectable		 4nx7A-2hi0A:
21.18
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.
2is8 MOLYBDOPTERIN
BIOSYNTHESIS ENZYME,
MOAB

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth) 		4 ILE A  26
ASP A  20
ARG A 136
THR A   8
 None
FMT  A1003 (-3.7A)
None
FMT  A1003 (-4.1A)
 1.20A 4nx7A-2is8A:
undetectable		 4nx7A-2is8A:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		4 ILE A   5
ASP A  27
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.48A 4nx7A-2w9sA:
26.1		 4nx7A-2w9sA:
38.51
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.
2zki 199AA LONG
HYPOTHETICAL TRP
REPRESSOR BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF03358
(FMN_red) 		4 ILE A 179
ASP A 173
ARG A 181
THR A 156
 None
None
SO4  A 505 ( 2.9A)
None
 1.24A 4nx7A-2zkiA:
undetectable		 4nx7A-2zkiA:
22.12
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) 		4 ILE A  14
ASP A  54
ARG A 122
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 ( 4.5A)
 0.26A 4nx7A-3dg8A:
20.8		 4nx7A-3dg8A:
23.05
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.
3lqk DIPICOLINATE
SYNTHASE SUBUNIT B

(Bacillus
halodurans) 		PF02441
(Flavoprotein) 		4 ILE A 141
ASP A 132
ARG A 143
THR A 130
 None
 1.47A 4nx7A-3lqkA:
undetectable		 4nx7A-3lqkA:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		4 ILE A   6
ASP A  28
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 (-2.7A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.27A 4nx7A-3tq9A:
26.1		 4nx7A-3tq9A:
43.98
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ILE A  14
ASP A  54
ARG A 122
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
1CY  A 609 (-4.3A)
 0.29A 4nx7A-3um6A:
20.6		 4nx7A-3um6A:
13.23
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.
3zbi TRAF PROTEIN

(Escherichia
coli) 		PF03743
(TrbI) 		4 ILE A 873
ASP A 838
ARG A 846
THR A 876
 None
 1.37A 4nx7A-3zbiA:
undetectable		 4nx7A-3zbiA:
20.80
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.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		4 ILE A 221
ASP A 224
ARG A 156
THR A 227
 None
 1.18A 4nx7A-4kp2A:
undetectable		 4nx7A-4kp2A:
18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		4 ILE A   5
ASP A  27
ARG A  60
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 2.7A)
None
TMQ  A 202 (-4.2A)
 0.35A 4nx7A-4m2xA:
23.5		 4nx7A-4m2xA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		4 ILE A   5
ASP A  27
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 (-2.6A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.56A 4nx7A-4m7vA:
25.2		 4nx7A-4m7vA:
37.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		4 ILE A   5
ASP A  27
ARG A  57
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 (-3.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.5A)
 0.25A 4nx7A-4p68A:
30.5		 4nx7A-4p68A:
98.11
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 4
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14629
(ORC4_C)
PF13191
(AAA_16)
PF14630
(ORC5_C) 		4 ILE D 238
ASP D  22
ARG E 115
THR D  25
 None
 1.12A 4nx7A-4xgcD:
undetectable		 4nx7A-4xgcD:
17.46
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.
4zv3 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Mus musculus) 		PF03061
(4HBT) 		4 ILE A  80
ASP A 259
ARG A  62
THR A 276
 None
 1.47A 4nx7A-4zv3A:
undetectable		 4nx7A-4zv3A:
17.48
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 ILE A 206
ASP A 199
ARG A 165
THR A 208
 None
None
AGI  A 501 (-2.8A)
None
 1.44A 4nx7A-5i2hA:
undetectable		 4nx7A-5i2hA:
18.11
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 ILE A 858
ASP A 807
ARG A 802
THR A 808
 None
 1.27A 4nx7A-5ldnA:
undetectable		 4nx7A-5ldnA:
9.33
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.
5ulm MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		PF13281
(DUF4071) 		4 ILE A 306
ASP A 312
ARG A 302
THR A 310
 None
 1.35A 4nx7A-5ulmA:
undetectable		 4nx7A-5ulmA:
18.32
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ILE A   6
ASP A  28
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.32A 4nx7A-6cxmA:
22.0		 4nx7A-6cxmA:
undetectable