SIMILAR PATTERNS OF AMINO ACIDS FOR 2C2B_F_SAMF500

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 2c2bE-1itxA:
0.8
2c2bF-1itxA:
0.8		 2c2bE-1itxA:
22.93
2c2bF-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 LEU L 193
SER L 237
TRP L 308
GLY L 356
PHE L 354
 None
 1.39A 2c2bE-2bfuL:
0.0
2c2bF-2bfuL:
0.0		 2c2bE-2bfuL:
21.58
2c2bF-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
 0.50A 2c2bE-2c2gA:
60.2
2c2bF-2c2gA:
56.4		 2c2bE-2c2gA:
100.00
2c2bF-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.
3by9 SENSOR PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		5 TRP A 252
GLN A 199
SER A 213
TRP A 209
SER A 204
 None
 1.43A 2c2bE-3by9A:
0.0
2c2bF-3by9A:
0.0		 2c2bE-3by9A:
18.85
2c2bF-3by9A:
18.85
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.
3fd3 CHROMOSOME
REPLICATION
INITIATION INHIBITOR
PROTEIN

(Agrobacterium
fabrum) 		PF03466
(LysR_substrate) 		5 ASN A 261
LEU A 260
GLN A 223
SER A 244
PHE A 248
 None
None
None
None
CA  A   1 (-3.7A)
 1.42A 2c2bE-3fd3A:
0.0
2c2bF-3fd3A:
0.3		 2c2bE-3fd3A:
18.55
2c2bF-3fd3A:
18.55
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 LEU E  33
GLN A  58
SER A  59
SER A  66
SER E  29
 None
 1.39A 2c2bE-3zvkE:
0.0
2c2bF-3zvkE:
0.0		 2c2bE-3zvkE:
10.42
2c2bF-3zvkE:
10.42
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 ASN A  50
GLN A  83
GLY A 160
SER A 161
SER A 195
 LLP  A  51 ( 3.1A)
LLP  A  51 ( 3.5A)
None
LLP  A  51 ( 3.4A)
LLP  A  51 ( 2.4A)
 1.29A 2c2bE-4d8uA:
23.3
2c2bF-4d8uA:
24.7		 2c2bE-4d8uA:
20.90
2c2bF-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.
4nfu SENESCENCE-ASSOCIATE
D CARBOXYLESTERASE
101

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 TRP B  26
SER B  71
GLY B 148
SER B 150
SER B 177
 None
 1.33A 2c2bE-4nfuB:
0.0
2c2bF-4nfuB:
0.2		 2c2bE-4nfuB:
21.03
2c2bF-4nfuB:
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 5 LEU A 126
SER A 123
GLY A 121
SER A 120
PHE A 119
 None
 1.26A 2c2bE-4ubqA:
undetectable
2c2bF-4ubqA:
undetectable		 2c2bE-4ubqA:
17.52
2c2bF-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 LEU A2693
GLN A2716
SER A2696
GLY A2348
SER A2347
 None
 0.96A 2c2bE-4z37A:
undetectable
2c2bF-4z37A:
1.6		 2c2bE-4z37A:
22.12
2c2bF-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.
6f2t -

(-) 		no annotation 5 GLN A 466
SER A 380
GLY A 480
SER A 332
SER A 336
 None
 1.45A 2c2bE-6f2tA:
undetectable
2c2bF-6f2tA:
1.8		 2c2bE-6f2tA:
undetectable
2c2bF-6f2tA:
undetectable