SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG2_B_CHDB1085

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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.18A 3ag2A-1k5sB:
0.0
3ag2B-1k5sB:
0.0
3ag2T-1k5sB:
0.0		 3ag2A-1k5sB:
20.53
3ag2B-1k5sB:
17.45
3ag2T-1k5sB:
12.50
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLN A 177
THR A 165
ARG A 197
ARG A 201
GLY A 234
 None
None
NAD  A 600 (-3.9A)
None
None
 1.43A 3ag2A-1x87A:
0.0
3ag2B-1x87A:
0.0
3ag2T-1x87A:
0.0		 3ag2A-1x87A:
20.44
3ag2B-1x87A:
18.23
3ag2T-1x87A:
9.12
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 MET A 179
GLU A 170
ARG A 230
PHE A 224
GLY A 222
 None
 1.40A 3ag2A-3bt7A:
0.0
3ag2B-3bt7A:
0.0
3ag2T-3bt7A:
0.0		 3ag2A-3bt7A:
20.94
3ag2B-3bt7A:
20.40
3ag2T-3bt7A:
13.92
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.38A 3ag2A-4qdgA:
undetectable
3ag2B-4qdgA:
0.0
3ag2T-4qdgA:
0.0		 3ag2A-4qdgA:
20.49
3ag2B-4qdgA:
23.20
3ag2T-4qdgA:
13.97
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		5 GLN A 643
GLU A 640
THR A 639
ARG A 384
GLY A 420
 None
CA  A1777 (-2.7A)
None
None
None
 1.41A 3ag2A-4v1uA:
0.0
3ag2B-4v1uA:
0.0
3ag2T-4v1uA:
0.0		 3ag2A-4v1uA:
22.14
3ag2B-4v1uA:
14.64
3ag2T-4v1uA:
7.48