SIMILAR PATTERNS OF AMINO ACIDS FOR 3OI8_B_ADNB1

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.
1ki9 ADENYLATE KINASE

(Methanothermococcus
thermolithotrophicus) 		PF13207
(AAA_17) 		5 ARG A 138
ILE A  95
ASN A 155
HIS A 151
THR A  97
 None
 1.49A 3oi8A-1ki9A:
undetectable
3oi8B-1ki9A:
undetectable		 3oi8A-1ki9A:
20.41
3oi8B-1ki9A:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jtf MAGNESIUM AND COBALT
EFFLUX PROTEIN

(Bordetella
parapertussis) 		PF00571
(CBS) 		6 HIS A 109
PRO A 113
LEU A 185
THR A 187
GLU A 189
ASP A 190
 AMP  A   1 (-3.5A)
AMP  A   1 (-4.7A)
None
AMP  A   1 (-3.0A)
AMP  A   1 (-3.6A)
AMP  A   1 (-2.6A)
 0.81A 3oi8A-3jtfA:
18.8
3oi8B-3jtfA:
19.3		 3oi8A-3jtfA:
44.79
3oi8B-3jtfA:
44.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lfr PUTATIVE METAL ION
TRANSPORTER

(Pseudomonas
syringae group
genomosp. 3) 		PF00571
(CBS) 		6 HIS A  94
PRO A  98
LEU A 173
THR A 175
GLU A 177
ASP A 178
 AMP  A   1 (-3.4A)
AMP  A   1 (-4.9A)
None
AMP  A   1 (-3.1A)
AMP  A   1 ( 4.7A)
AMP  A   1 (-2.7A)
 0.67A 3oi8A-3lfrA:
20.8
3oi8B-3lfrA:
21.1		 3oi8A-3lfrA:
42.94
3oi8B-3lfrA:
42.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lhh CBS DOMAIN PROTEIN

(Shewanella
oneidensis) 		PF00571
(CBS) 		5 HIS A  73
PRO A  77
LEU A 150
THR A 152
ASP A 155
 AMP  A 171 (-3.4A)
AMP  A 171 (-4.6A)
None
AMP  A 171 (-3.1A)
AMP  A 171 (-2.6A)
 0.38A 3oi8A-3lhhA:
17.5
3oi8B-3lhhA:
17.9		 3oi8A-3lhhA:
30.46
3oi8B-3lhhA:
30.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nqr MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC

(Salmonella
enterica) 		PF00571
(CBS) 		7 ILE A  74
HIS A 100
PRO A 104
LEU A 178
THR A 180
GLU A 182
ASP A 183
 AMP  A   1 (-4.2A)
AMP  A   1 (-3.4A)
None
None
AMP  A   1 (-3.4A)
None
AMP  A   1 (-2.4A)
 0.96A 3oi8A-3nqrA:
21.4
3oi8B-3nqrA:
21.3		 3oi8A-3nqrA:
52.14
3oi8B-3nqrA:
52.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ocm PUTATIVE MEMBRANE
PROTEIN

(Bordetella
parapertussis) 		PF00571
(CBS) 		5 HIS A 365
PRO A 369
LEU A 441
THR A 443
ASP A 446
 ADP  A 470 ( 3.3A)
None
ADP  A 470 (-4.8A)
ADP  A 470 (-3.0A)
ADP  A 470 (-2.8A)
 0.88A 3oi8A-3ocmA:
6.1
3oi8B-3ocmA:
6.0		 3oi8A-3ocmA:
31.49
3oi8B-3ocmA:
31.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hg0 MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC

(Escherichia
coli) 		PF00571
(CBS)
PF03471
(CorC_HlyC) 		5 ILE A  74
HIS A 100
PRO A 104
GLU A 182
ASP A 183
 AMP  A 301 (-4.5A)
AMP  A 301 (-3.3A)
AMP  A 301 (-4.7A)
AMP  A 301 (-3.8A)
AMP  A 301 (-3.3A)
 0.84A 3oi8A-4hg0A:
18.4
3oi8B-4hg0A:
18.2		 3oi8A-4hg0A:
47.25
3oi8B-4hg0A:
47.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hg0 MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC

(Escherichia
coli) 		PF00571
(CBS)
PF03471
(CorC_HlyC) 		6 ILE A  74
HIS A 100
PRO A 104
LEU A 178
THR A 180
ASP A 183
 AMP  A 301 (-4.5A)
AMP  A 301 (-3.3A)
AMP  A 301 (-4.7A)
None
AMP  A 301 (-3.8A)
AMP  A 301 (-3.3A)
 0.53A 3oi8A-4hg0A:
18.4
3oi8B-4hg0A:
18.2		 3oi8A-4hg0A:
47.25
3oi8B-4hg0A:
47.25
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.
5k24 METAL TRANSPORTER
CNNM3

(Mus musculus) 		PF00571
(CBS) 		5 HIS C 352
PRO C 356
LEU C 440
GLU C 444
ASP C 445
 None
 1.04A 3oi8A-5k24C:
10.0
3oi8B-5k24C:
10.1		 3oi8A-5k24C:
29.78
3oi8B-5k24C:
29.78
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.
5k24 METAL TRANSPORTER
CNNM3

(Mus musculus) 		PF00571
(CBS) 		5 HIS C 352
PRO C 356
THR C 442
GLU C 444
ASP C 445
 None
 0.85A 3oi8A-5k24C:
10.0
3oi8B-5k24C:
10.1		 3oi8A-5k24C:
29.78
3oi8B-5k24C:
29.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5yz2 MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC

(Escherichia
coli) 		no annotation 7 ILE A  74
HIS A 100
PRO A 104
LEU A 178
THR A 180
GLU A 182
ASP A 183
 AMP  A 301 ( 4.2A)
AMP  A 301 (-3.4A)
AMP  A 301 ( 4.6A)
None
AMP  A 301 (-2.4A)
None
AMP  A 301 (-1.9A)
 0.93A 3oi8A-5yz2A:
20.8
3oi8B-5yz2A:
20.7		 3oi8A-5yz2A:
31.82
3oi8B-5yz2A:
31.82
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.
6bpc RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 5 ILE A 453
PRO A 257
LEU A 457
THR A 377
GLU A 380
 None
 1.24A 3oi8A-6bpcA:
undetectable
3oi8B-6bpcA:
undetectable		 3oi8A-6bpcA:
15.92
3oi8B-6bpcA:
15.92