SIMILAR PATTERNS OF AMINO ACIDS FOR 2C2B_B_SAMB500

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 LEU A 398
TRP A 342
GLY A 368
SER A 369
PHE A 370
 None
 1.49A 2c2bA-1itxA:
0.5
2c2bB-1itxA:
1.0		 2c2bA-1itxA:
22.93
2c2bB-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.
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
 1.33A 2c2bA-1itxA:
0.5
2c2bB-1itxA:
1.0		 2c2bA-1itxA:
22.93
2c2bB-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.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 ASN A 141
LEU A 142
GLY A 136
SER A 134
PHE A 133
 None
 1.16A 2c2bA-1wkrA:
0.0
2c2bB-1wkrA:
0.0		 2c2bA-1wkrA:
24.08
2c2bB-1wkrA:
24.08
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.
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
 1.37A 2c2bA-2bfuL:
0.0
2c2bB-2bfuL:
0.0		 2c2bA-2bfuL:
21.58
2c2bB-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 2c2bA-2c2gA:
56.4
2c2bB-2c2gA:
60.5		 2c2bA-2c2gA:
100.00
2c2bB-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.
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)
 1.43A 2c2bA-3fd3A:
0.2
2c2bB-3fd3A:
0.0		 2c2bA-3fd3A:
18.55
2c2bB-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.
3j3i CAPSID PROTEIN

(Penicillium
chrysogenum
virus) 		no annotation 5 LEU A 692
GLN A 651
SER A 650
GLY A 648
SER A 646
 None
 1.37A 2c2bA-3j3iA:
0.2
2c2bB-3j3iA:
0.0		 2c2bA-3j3iA:
21.29
2c2bB-3j3iA:
21.29
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
 1.36A 2c2bA-3zvkE:
0.0
2c2bB-3zvkE:
0.0		 2c2bA-3zvkE:
10.42
2c2bB-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)
 1.24A 2c2bA-4d8uA:
24.7
2c2bB-4d8uA:
23.3		 2c2bA-4d8uA:
20.90
2c2bB-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
 1.35A 2c2bA-4nfuB:
0.1
2c2bB-4nfuB:
undetectable		 2c2bA-4nfuB:
21.03
2c2bB-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
 1.23A 2c2bA-4ubqA:
undetectable
2c2bB-4ubqA:
undetectable		 2c2bA-4ubqA:
17.52
2c2bB-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
 0.93A 2c2bA-4z37A:
1.1
2c2bB-4z37A:
undetectable		 2c2bA-4z37A:
22.12
2c2bB-4z37A:
22.12