SIMILAR PATTERNS OF AMINO ACIDS FOR 1P62_B_GEOB302_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) 		11 ILE A  30
GLU A  53
VAL A  55
TRP A  58
MET A  85
TYR A  86
GLN A  97
ARG A 128
ASP A 133
PHE A 137
GLU A 197
 DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
None
None
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
DCZ  A 302 (-3.5A)
 0.48A 1p62B-2a30A:
36.5		 1p62B-2a30A:
94.30
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.
2ah6 BH1595, UNKNOWN
CONSERVED PROTEIN

(Bacillus
halodurans) 		PF01923
(Cob_adeno_trans) 		5 ILE A  55
GLU A 104
TYR A 160
ARG A 171
GLU A  58
 None
 1.38A 1p62B-2ah6A:
0.1		 1p62B-2ah6A:
24.25
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) 		7 VAL A  33
TYR A  43
GLN A  54
ARG A  78
ASP A  83
PHE A  86
GLU A 150
 DCP  A1202 (-4.6A)
None
DCP  A1202 (-2.9A)
DCP  A1202 (-2.8A)
DCP  A1202 (-3.6A)
DCP  A1202 (-3.6A)
DCP  A1202 (-3.5A)
 0.67A 1p62B-2jaqA:
22.0		 1p62B-2jaqA:
27.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		7 ILE A  29
TRP A  57
MET A  69
TYR A  70
GLN A  81
ARG A 105
PHE A 114
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
 0.98A 1p62B-2jcsA:
27.0		 1p62B-2jcsA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		8 ILE A  29
VAL A  54
TRP A  57
MET A  69
TYR A  70
GLN A  81
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.83A 1p62B-2jcsA:
27.0		 1p62B-2jcsA:
31.32
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 GLU A  70
VAL A  72
TRP A  75
MET A  99
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
 1.30A 1p62B-2ocpA:
32.4		 1p62B-2ocpA:
46.62
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) 		7 ILE A  47
VAL A  72
TRP A  75
MET A  99
TYR A 100
ASP A 147
PHE A 151
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
 0.97A 1p62B-2ocpA:
32.4		 1p62B-2ocpA:
46.62
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) 		9 ILE A  47
VAL A  72
TRP A  75
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.77A 1p62B-2ocpA:
32.4		 1p62B-2ocpA:
46.62
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.
3cmn PUTATIVE HYDROLASE

(Chloroflexus
aurantiacus) 		PF10103
(Zincin_2) 		5 ILE A 189
MET A  77
TYR A  74
PHE A 203
GLU A 186
 None
 1.32A 1p62B-3cmnA:
0.0		 1p62B-3cmnA:
22.34
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.
3ke5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Bacillus cereus) 		PF01923
(Cob_adeno_trans) 		5 ILE A  55
GLU A 102
TYR A 158
ARG A 169
GLU A  58
 None
 1.32A 1p62B-3ke5A:
0.0		 1p62B-3ke5A:
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.
3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF02338
(OTU) 		5 GLU A 264
VAL A 262
MET A 252
ARG A 272
GLU A 284
 None
None
None
SEP  A 177 ( 3.1A)
None
 1.21A 1p62B-3tmpA:
undetectable		 1p62B-3tmpA:
23.88
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.
4unr THYMIDYLATE KINASE

(Mycobacterium
tuberculosis) 		PF02223
(Thymidylate_kin) 		5 GLU A 124
VAL A 120
TYR A 179
GLN A 136
ARG A  74
 None
None
None
None
QZE  A1211 (-2.7A)
 1.33A 1p62B-4unrA:
12.7		 1p62B-4unrA:
20.83
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 VAL A 692
TRP A 129
MET A 131
ASP A 176
PHE A 178
 None
 1.48A 1p62B-5xxoA:
2.8		 1p62B-5xxoA:
13.95
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
TYR O  83
ARG O 126
PHE O 134
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
ADP  O 401 (-4.9A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
 0.79A 1p62B-6g2jO:
undetectable		 1p62B-6g2jO:
14.62
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
TYR O  83
ARG O 126
ASP O 131
PHE O 134
 ADP  O 401 (-4.0A)
ADP  O 401 (-4.9A)
ADP  O 401 ( 4.3A)
None
ADP  O 401 (-3.6A)
 1.01A 1p62B-6g2jO:
undetectable		 1p62B-6g2jO:
14.62
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
TYR O  83
ARG O 126
PHE O 134
GLU O 191
 ADP  O 401 (-4.0A)
ADP  O 401 (-4.9A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
ADP  O 401 (-3.2A)
 0.76A 1p62B-6g2jO:
undetectable		 1p62B-6g2jO:
14.62