SIMILAR PATTERNS OF AMINO ACIDS FOR 1MCB_P_DHIP3_0

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.
1ear UREASE ACCESSORY
PROTEIN UREE

(Sporosarcina
pasteurii) 		PF02814
(UreE_N)
PF05194
(UreE_C) 		4 TYR A 129
TYR A 114
GLU A 119
GLN A 131
 None
 1.24A 1mcbA-1earA:
0.0
1mcbB-1earA:
0.0
1mcbP-1earA:
undetectable		 1mcbA-1earA:
20.72
1mcbB-1earA:
20.72
1mcbP-1earA:
2.88
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.
1yna ENDO-1,4-BETA-XYLANA
SE

(Thermomyces
lanuginosus) 		PF00457
(Glyco_hydro_11) 		4 TYR A  73
TYR A 180
GLU A 178
TYR A  96
 None
 1.46A 1mcbA-1ynaA:
0.6
1mcbB-1ynaA:
0.8
1mcbP-1ynaA:
undetectable		 1mcbA-1ynaA:
23.21
1mcbB-1ynaA:
23.21
1mcbP-1ynaA:
4.41
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.
2fkz BACTERIOFERRITIN

(Azotobacter
vinelandii) 		PF00210
(Ferritin) 		4 TYR A  32
TYR A  25
GLU A  44
GLN A  24
 None
 1.28A 1mcbA-2fkzA:
undetectable
1mcbB-2fkzA:
undetectable
1mcbP-2fkzA:
undetectable		 1mcbA-2fkzA:
14.03
1mcbB-2fkzA:
14.03
1mcbP-2fkzA:
5.80
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.
3vtz GLUCOSE
1-DEHYDROGENASE

(Thermoplasma
volcanium) 		PF13561
(adh_short_C2) 		4 TYR A  86
TYR A 145
GLU A  84
GLN A 134
 None
 1.38A 1mcbA-3vtzA:
0.0
1mcbB-3vtzA:
0.0
1mcbP-3vtzA:
undetectable		 1mcbA-3vtzA:
21.28
1mcbB-3vtzA:
21.28
1mcbP-3vtzA:
1.38
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.
5mg8 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
5

(Schizosaccharomyces
pombe) 		no annotation 4 TYR A 509
TYR A 440
GLU A 437
GLN A 444
 GOL  A 703 ( 4.8A)
None
None
None
 1.31A 1mcbA-5mg8A:
0.0
1mcbB-5mg8A:
0.0
1mcbP-5mg8A:
undetectable		 1mcbA-5mg8A:
23.06
1mcbB-5mg8A:
23.06
1mcbP-5mg8A:
1.63
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 4 TYR A 483
TYR A 567
GLU A 488
TYR A 614
 None
 1.38A 1mcbA-5vhaA:
0.0
1mcbB-5vhaA:
0.0
1mcbP-5vhaA:
undetectable		 1mcbA-5vhaA:
undetectable
1mcbB-5vhaA:
undetectable
1mcbP-5vhaA:
undetectable
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 4 TYR A 237
TYR A 244
GLU A 240
TYR A 274
 GNP  A 500 (-4.7A)
None
GNP  A 500 ( 4.4A)
GNP  A 500 (-4.7A)
 1.19A 1mcbA-6ceyA:
0.0
1mcbB-6ceyA:
0.0
1mcbP-6ceyA:
undetectable		 1mcbA-6ceyA:
undetectable
1mcbB-6ceyA:
undetectable
1mcbP-6ceyA:
undetectable