SIMILAR PATTERNS OF AMINO ACIDS FOR 3MJR_B_AC2B401_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		8 ILE A  30
GLU A  53
PHE A  96
GLN A  97
ARG A 104
ARG A 128
ASP A 133
PHE A 137
 DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
None
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
 0.71A 3mjrB-2a30A:
32.4		 3mjrB-2a30A:
92.78
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.
2jaq DEOXYGUANOSINE
KINASE

(Mycoplasma
mycoides) 		PF01712
(dNK) 		5 GLN A  54
ARG A  61
ARG A  78
ASP A  83
PHE A  86
 DCP  A1202 (-2.9A)
None
DCP  A1202 (-2.8A)
DCP  A1202 (-3.6A)
DCP  A1202 (-3.6A)
 0.66A 3mjrB-2jaqA:
21.1		 3mjrB-2jaqA:
25.26
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		5 ILE A  29
PHE A  80
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.74A 3mjrB-2jcsA:
23.3		 3mjrB-2jcsA:
28.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 ILE A  47
PHE A 110
ARG A 142
ASP A 147
PHE A 151
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.2A)
DTP  A 301 (-3.2A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
 0.92A 3mjrB-2ocpA:
29.8		 3mjrB-2ocpA:
44.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 ILE A  47
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.63A 3mjrB-2ocpA:
29.8		 3mjrB-2ocpA:
44.84
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 348
VAL A 142
GLN A 290
ARG A 428
ASP A 394
 None
 1.29A 3mjrB-3iayA:
0.1		 3mjrB-3iayA:
16.81
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 ILE O  31
GLU O  53
ARG O 126
ASP O 131
PHE O 134
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
ADP  O 401 ( 4.3A)
None
ADP  O 401 (-3.6A)
 1.14A 3mjrB-6g2jO:
undetectable		 3mjrB-6g2jO:
13.98