SIMILAR PATTERNS OF AMINO ACIDS FOR 3DTU_B_CUB1004

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.
1ar1 CYTOCHROME C OXIDASE

(Paracoccus
denitrificans) 		PF00116
(COX2)
PF02790
(COX2_TM) 		4 HIS B 181
CYH B 216
CYH B 220
MET B 227
 CU  B 271 ( 3.2A)
CU  B 271 (-2.2A)
CU  B 270 (-2.1A)
CU  B 271 ( 2.5A)
 0.20A 3dtuB-1ar1B:
30.6		 3dtuB-1ar1B:
48.08
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.
1cyx CYOA

(Escherichia
coli) 		PF00116
(COX2)
PF06481
(COX_ARM) 		4 HIS A 172
CYH A 207
CYH A 211
MET A 218
 CUA  A 316 (-2.9A)
CUA  A 316 (-2.1A)
CUA  A 316 (-2.2A)
CUA  A 316 (-3.0A)
 0.38A 3dtuB-1cyxA:
14.4		 3dtuB-1cyxA:
21.03
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		4 HIS A 526
CYH A 561
CYH A 565
MET A 572
 CUA  A4701 (-3.1A)
CUA  A4701 (-2.2A)
CUA  A4701 (-2.2A)
CUA  A4701 (-2.4A)
 0.45A 3dtuB-1fwxA:
9.7		 3dtuB-1fwxA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE II

(Paracoccus
denitrificans) 		PF00116
(COX2)
PF02790
(COX2_TM) 		4 HIS B 181
CYH B 216
CYH B 220
MET B 227
 CUA  B 301 (-3.2A)
CUA  B 301 (-2.1A)
CUA  B 301 (-2.0A)
CUA  B 301 (-2.5A)
 0.29A 3dtuB-1qleB:
29.3		 3dtuB-1qleB:
56.23
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.
1qni NITROUS-OXIDE
REDUCTASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 4 HIS A 526
CYH A 561
CYH A 565
MET A 572
 CUA  A 701 (-3.1A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.4A)
 0.44A 3dtuB-1qniA:
9.8		 3dtuB-1qniA:
17.93
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.
2yev CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		4 HIS B 162
CYH B 197
CYH B 201
MET B 208
 CUA  B 585 (-3.0A)
CUA  B 585 (-2.4A)
CUA  B 585 (-2.3A)
CUA  B 585 (-2.3A)
 0.44A 3dtuB-2yevB:
17.1		 3dtuB-2yevB:
22.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3om3 CYTOCHROME C OXIDASE
SUBUNIT 2

(Rhodobacter
sphaeroides) 		PF00116
(COX2)
PF02790
(COX2_TM) 		4 HIS B 217
CYH B 252
CYH B 256
MET B 263
 CU1  B 288 (-3.2A)
CU1  B 288 ( 2.2A)
CU1  B 287 ( 2.3A)
CU1  B 288 (-2.3A)
 0.08A 3dtuB-3om3B:
35.5		 3dtuB-3om3B:
100.00
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.
3s38 CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00116
(COX2)
PF09125
(COX2-transmemb) 		4 HIS B 114
CYH B 149
CYH B 153
MET B 160
 CUA  B 802 (-3.0A)
CUA  B 802 (-1.9A)
CUA  B 802 (-2.0A)
CUA  B 802 (-2.0A)
 0.58A 3dtuB-3s38B:
9.3		 3dtuB-3s38B:
22.53
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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 4 HIS A 583
CYH A 618
CYH A 622
MET A 629
 CUA  A 701 (-4.3A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.3A)
CUA  A 701 (-2.3A)
 0.68A 3dtuB-3sbqA:
8.0		 3dtuB-3sbqA:
17.46
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.
4w9z CYTOCHROME C OXIDASE
SUBUNIT 2

(Bradyrhizobium
diazoefficiens) 		PF00116
(COX2) 		4 HIS A 194
CYH A 229
CYH A 233
MET A 240
 CU  A 301 (-3.1A)
CU  A 302 ( 2.3A)
CU  A 302 ( 2.2A)
CU  A 301 (-2.4A)
 0.22A 3dtuB-4w9zA:
21.5		 3dtuB-4w9zA:
28.90