SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZIA_A_CL9A401_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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ILE A 150
GLU A 143
LEU A 102
ARG A 146
GLU A 100
 None
 1.28A 2ziaA-1ofeA:
undetectable		 2ziaA-1ofeA:
10.94
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 GLU A  48
TRP A  53
TYR A  66
GLN A  90
PHE A 139
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
BVP  A 500 (-3.7A)
 0.94A 2ziaA-1osnA:
16.2		 2ziaA-1osnA:
22.95
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 GLU A  48
TYR A  66
GLN A  90
ARG A 130
PHE A 139
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
BVP  A 500 (-2.8A)
BVP  A 500 (-3.7A)
 0.98A 2ziaA-1osnA:
16.2		 2ziaA-1osnA:
22.95
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.
1p75 THYMIDINE KINASE

(Equid
alphaherpesvirus
4) 		PF00693
(Herpes_TK) 		5 GLU A  60
TRP A  65
TYR A  78
GLN A 102
PHE A 148
 T5A  A 501 (-2.5A)
None
T5A  A 501 (-4.6A)
T5A  A 501 (-3.1A)
T5A  A 501 (-3.5A)
 1.01A 2ziaA-1p75A:
16.2		 2ziaA-1p75A:
23.03
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 GLU A  83
TRP A  88
TYR A 101
GLN A 125
GLU A 225
 TMP  A 500 (-2.7A)
None
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 (-3.5A)
 0.95A 2ziaA-1vtkA:
17.2		 2ziaA-1vtkA:
20.16
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 GLU A  83
TYR A 101
GLN A 125
ARG A 163
GLU A 225
 TMP  A 500 (-2.7A)
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.5A)
 1.01A 2ziaA-1vtkA:
17.2		 2ziaA-1vtkA:
20.16
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) 		12 ILE A  30
GLU A  53
TRP A  58
LEU A  82
MET A  85
TYR A  86
GLN A  97
ARG A 104
ARG A 128
PHE A 137
GLU A 197
TYR A 204
 DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
None
DCZ  A 302 ( 4.9A)
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
None
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
DCZ  A 302 (-3.5A)
None
 0.58A 2ziaA-2a30A:
36.0		 2ziaA-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.
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
 1.37A 2ziaA-2ah6A:
undetectable		 2ziaA-2ah6A:
25.09
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 TYR A  42
ARG A  61
ARG A  78
PHE A  86
TYR A 157
 DCP  A1202 (-4.2A)
None
DCP  A1202 (-2.8A)
DCP  A1202 (-3.6A)
None
 1.31A 2ziaA-2jaqA:
23.6		 2ziaA-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.
2jaq DEOXYGUANOSINE
KINASE

(Mycoplasma
mycoides) 		PF01712
(dNK) 		7 TYR A  43
GLN A  54
ARG A  61
ARG A  78
PHE A  86
GLU A 150
TYR A 157
 None
DCP  A1202 (-2.9A)
None
DCP  A1202 (-2.8A)
DCP  A1202 (-3.6A)
DCP  A1202 (-3.5A)
None
 0.67A 2ziaA-2jaqA:
23.6		 2ziaA-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) 		7 ILE A  29
TRP A  57
GLN A  81
ARG A 105
PHE A 114
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
None
 0.82A 2ziaA-2jcsA:
26.6		 2ziaA-2jcsA:
28.98
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		9 ILE A  29
TRP A  57
LEU A  66
MET A  69
TYR A  70
GLN A  81
PHE A 114
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
None
 0.72A 2ziaA-2jcsA:
26.6		 2ziaA-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) 		10 ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
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)
None
 0.53A 2ziaA-2ocpA:
33.2		 2ziaA-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) 		9 ILE A  47
TRP A  75
LEU A  96
TYR A 100
ARG A 118
ARG A 142
PHE A 151
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
 0.70A 2ziaA-2ocpA:
33.2		 2ziaA-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.
3gwe 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE III

(Burkholderia
pseudomallei) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A  15
LEU A 128
TYR A 124
ARG A 184
PHE A 344
 None
 1.30A 2ziaA-3gweA:
undetectable		 2ziaA-3gweA:
23.20
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.
3ide CAPSID PROTEIN VP2

(Infectious
pancreatic
necrosis virus) 		PF01766
(Birna_VP2) 		5 ILE A 402
TRP A 415
LEU A 166
ARG A 423
PHE A 427
 None
 1.44A 2ziaA-3ideA:
undetectable		 2ziaA-3ideA:
21.78
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.
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 2ziaA-3ke5A:
undetectable		 2ziaA-3ke5A:
27.37
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.
5lnk MITOCHONDRIAL
COMPLEX I, 42 KDA
SUBUNIT

(Ovis aries) 		PF00420
(Oxidored_q2) 		5 LEU k  79
TYR k  83
GLN k  97
ARG k 104
ARG k 126
 None
 1.44A 2ziaA-5lnkk:
16.3		 2ziaA-5lnkk:
22.45
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		6 ILE w  66
GLN w 132
ARG w 139
ARG w 161
GLU w 226
TYR w 233
 None
 1.09A 2ziaA-5xtdw:
18.3		 2ziaA-5xtdw:
22.29
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		6 ILE w  66
LEU w 114
GLN w 132
ARG w 161
GLU w 226
TYR w 233
 None
 1.01A 2ziaA-5xtdw:
18.3		 2ziaA-5xtdw:
22.29
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		6 ILE w  66
LEU w 114
TYR w 118
ARG w 161
GLU w 226
TYR w 233
 None
 1.26A 2ziaA-5xtdw:
18.3		 2ziaA-5xtdw:
22.29
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		6 ILE w  66
TYR w 118
ARG w 139
ARG w 161
GLU w 226
TYR w 233
 None
 1.19A 2ziaA-5xtdw:
18.3		 2ziaA-5xtdw:
22.29
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.
5y3t E3 UBIQUITIN-PROTEIN
LIGASE RNF31
RANBP-TYPE AND
C3HC4-TYPE ZINC
FINGER-CONTAINING
PROTEIN 1
SHARPIN

(Mus musculus) 		no annotation 5 GLU B 561
GLN B 507
ARG B 555
GLU A  10
TYR C 283
 None
 1.44A 2ziaA-5y3tB:
undetectable		 2ziaA-5y3tB:
15.33
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1

(Saccharomyces
cerevisiae) 		no annotation 5 GLU A  30
LEU A  69
ARG A 167
PHE A 169
GLU A 262
 None
 1.09A 2ziaA-5y58A:
undetectable		 2ziaA-5y58A:
13.26
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 7 ILE O  31
GLU O  53
LEU O  79
TYR O  83
ARG O 104
ARG O 126
GLU O 191
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
None
ADP  O 401 (-4.9A)
ADP  O 401 (-4.5A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.2A)
 1.01A 2ziaA-6g2jO:
undetectable		 2ziaA-6g2jO:
13.98
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 8 ILE O  31
GLU O  53
LEU O  79
TYR O  83
ARG O 126
PHE O 134
GLU O 191
TYR O 198
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
None
ADP  O 401 (-4.9A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
ADP  O 401 (-3.2A)
None
 0.98A 2ziaA-6g2jO:
undetectable		 2ziaA-6g2jO:
13.98
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 8 ILE O  31
GLU O  53
LEU O  79
TYR O  83
GLN O  97
PHE O 134
GLU O 191
TYR O 198
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
None
ADP  O 401 (-4.9A)
ADP  O 401 (-3.5A)
ADP  O 401 (-3.6A)
ADP  O 401 (-3.2A)
None
 1.03A 2ziaA-6g2jO:
undetectable		 2ziaA-6g2jO:
13.98