SIMILAR PATTERNS OF AMINO ACIDS FOR 2C2B_C_SAMC500

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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		5 SER A 361
TRP A 342
GLY A 368
SER A 369
PHE A 370
 GOL  A1004 ( 4.1A)
None
None
None
None
 1.34A 2c2bC-1itxA:
2.7
2c2bD-1itxA:
0.9		 2c2bC-1itxA:
22.93
2c2bD-1itxA:
22.93
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.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP) 		5 SER L 237
TRP L 308
GLY L 356
PHE L 354
LEU L 193
 None
 1.43A 2c2bC-2bfuL:
0.0
2c2bD-2bfuL:
0.0		 2c2bC-2bfuL:
21.58
2c2bD-2bfuL:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c2g THREONINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 SER A  99
TRP A 101
GLY A 104
SER A 105
SER A 125
 None
 0.48A 2c2bC-2c2gA:
56.3
2c2bD-2c2gA:
60.5		 2c2bC-2c2gA:
100.00
2c2bD-2c2gA:
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.
3zvk TOXIN OF
TOXIN-ANTITOXIN
SYSTEM
ANTITOXIN OF
TOXIN-ANTITOXIN
SYSTEM VAPB

(Rickettsia
felis;
Rickettsia
felis) 		PF01850
(PIN)
PF04014
(MazE_antitoxin) 		5 SER A  59
SER A  66
SER E  29
LEU E  33
GLN A  58
 None
 1.40A 2c2bC-3zvkA:
0.5
2c2bD-3zvkA:
0.6		 2c2bC-3zvkA:
12.88
2c2bD-3zvkA:
12.88
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.
4d8u D-CYSTEINE
DESULFHYDRASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 GLY A 160
SER A 161
SER A 195
ASN A  50
GLN A  83
 None
LLP  A  51 ( 3.4A)
LLP  A  51 ( 2.4A)
LLP  A  51 ( 3.1A)
LLP  A  51 ( 3.5A)
 1.33A 2c2bC-4d8uA:
24.7
2c2bD-4d8uA:
23.3		 2c2bC-4d8uA:
20.90
2c2bD-4d8uA:
20.90
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 5 SER A 123
GLY A 121
SER A 120
PHE A 119
LEU A 126
 None
 1.27A 2c2bC-4ubqA:
1.4
2c2bD-4ubqA:
0.0		 2c2bC-4ubqA:
17.52
2c2bD-4ubqA:
17.52
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A2696
GLY A2348
SER A2347
LEU A2693
GLN A2716
 None
 0.93A 2c2bC-4z37A:
0.0
2c2bD-4z37A:
0.0		 2c2bC-4z37A:
22.12
2c2bD-4z37A:
22.12
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 SER A 195
GLY A 131
SER A 138
LEU A 115
TRP A 283
 None
SAH  A 414 (-3.0A)
None
None
None
 1.47A 2c2bC-5u4tA:
0.6
2c2bD-5u4tA:
0.4		 2c2bC-5u4tA:
22.95
2c2bD-5u4tA:
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.
6f2t -

(-) 		no annotation 5 SER A 380
GLY A 480
SER A 332
SER A 336
GLN A 466
 None
 1.44A 2c2bC-6f2tA:
1.8
2c2bD-6f2tA:
undetectable		 2c2bC-6f2tA:
undetectable
2c2bD-6f2tA:
undetectable