SIMILAR PATTERNS OF AMINO ACIDS FOR 3PPO_A_DCKA401_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o66 GLYCINE
BETAINE/CARNITINE/CH
OLINE ABC
TRANSPORTER

(Staphylococcus
aureus) 		PF04069
(OpuAC) 		5 SER A  74
TYR A  94
THR A  97
ASN A 138
TYR A 244
 None
PGE  A 321 (-3.8A)
PGE  A 321 ( 4.9A)
ACT  A 323 ( 2.9A)
PGE  A 321 (-3.8A)
 0.31A 3ppoA-3o66A:
36.5		 3ppoA-3o66A:
57.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o66 GLYCINE
BETAINE/CARNITINE/CH
OLINE ABC
TRANSPORTER

(Staphylococcus
aureus) 		PF04069
(OpuAC) 		5 TYR A  94
THR A  97
ASN A 138
TYR A 220
TYR A 244
 PGE  A 321 (-3.8A)
PGE  A 321 ( 4.9A)
ACT  A 323 ( 2.9A)
PGE  A 321 ( 3.4A)
PGE  A 321 (-3.8A)
 0.72A 3ppoA-3o66A:
36.5		 3ppoA-3o66A:
57.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		9 GLN A  39
SER A  71
ASN A  72
TYR A  91
THR A  94
ASN A 135
TYR A 137
TYR A 217
TYR A 241
 DCK  A 401 (-3.0A)
DCK  A 401 (-4.4A)
DCK  A 401 (-4.2A)
DCK  A 401 (-3.8A)
DCK  A 401 (-3.7A)
DCK  A 401 (-4.2A)
DCK  A 401 (-3.5A)
DCK  A 401 (-3.9A)
DCK  A 401 (-4.1A)
 0.00A 3ppoA-3ppoA:
49.0		 3ppoA-3ppoA:
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 SER A 326
TYR A 401
THR A 372
ASN A 439
TYR A 441
 None
 1.26A 3ppoA-3zppA:
0.1		 3ppoA-3zppA:
25.11
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 SER A 337
TYR A 412
THR A 383
ASN A 450
TYR A 452
 None
 1.24A 3ppoA-4mr0A:
0.0		 3ppoA-4mr0A:
19.69
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLN A  79
ASN A  82
THR A 460
ASN A 339
TYR A 341
 None
 1.22A 3ppoA-4z26A:
0.0		 3ppoA-4z26A:
18.76
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 5 ASN A  44
TYR A  63
TYR A 109
TYR A 189
TYR A 213
 1Y8  A 301 ( 4.2A)
1Y8  A 301 ( 3.6A)
1Y8  A 301 (-4.1A)
1Y8  A 301 (-3.5A)
1Y8  A 301 (-3.3A)
 0.92A 3ppoA-5nxyA:
42.4		 3ppoA-5nxyA:
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 5 TYR A  63
ASN A 107
TYR A 109
TYR A 189
TYR A 213
 1Y8  A 301 ( 3.6A)
1Y8  A 301 (-3.8A)
1Y8  A 301 (-4.1A)
1Y8  A 301 (-3.5A)
1Y8  A 301 (-3.3A)
 0.49A 3ppoA-5nxyA:
42.4		 3ppoA-5nxyA:
undetectable