SIMILAR PATTERNS OF AMINO ACIDS FOR 4A97_G_ZPCG1318_1

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.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 480
ILE A 491
GLU A 452
GLU A 380
GLU A 414
 None
 1.27A 4a97F-1bbuA:
0.0
4a97G-1bbuA:
0.0		 4a97F-1bbuA:
19.52
4a97G-1bbuA:
19.52
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		5 MET A  73
ILE A  90
GLU A 184
GLU A  81
TYR A 270
 None
 1.40A 4a97F-1kh2A:
0.6
4a97G-1kh2A:
0.7		 4a97F-1kh2A:
23.19
4a97G-1kh2A:
23.19
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.
1nxh MTH396 PROTEIN

(Methanothermobacter
thermautotrophicus) 		PF09218
(DUF1959) 		5 PHE A  59
ILE A  67
GLU A  31
GLU A  33
HIS A  56
 None
 1.46A 4a97F-1nxhA:
2.3
4a97G-1nxhA:
undetectable		 4a97F-1nxhA:
17.53
4a97G-1nxhA:
17.53
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.
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		5 TYR A 117
MET A 142
ILE A 123
GLU A 148
TYR A  94
 None
None
GOL  A   1 (-4.4A)
None
None
 1.23A 4a97F-3fssA:
0.0
4a97G-3fssA:
0.0		 4a97F-3fssA:
21.36
4a97G-3fssA:
21.36
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.
4ex5 LYSINE--TRNA LIGASE

(Burkholderia
thailandensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 484
ILE A 495
GLU A 456
GLU A 384
GLU A 418
 None
 1.39A 4a97F-4ex5A:
0.0
4a97G-4ex5A:
0.6		 4a97F-4ex5A:
20.08
4a97G-4ex5A:
20.08
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ARG A 293
ILE A 257
GLU A 209
GLU A 210
HIS A 312
 None
 1.31A 4a97F-4mo9A:
0.0
4a97G-4mo9A:
0.0		 4a97F-4mo9A:
22.98
4a97G-4mo9A:
22.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		5 PHE A  19
TYR A  38
ARG A  91
MET A  93
ILE A 101
 None
 0.55A 4a97F-4twfA:
33.6
4a97G-4twfA:
33.8		 4a97F-4twfA:
99.35
4a97G-4twfA:
99.35
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.
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans) 		PF13484
(Fer4_16)
PF13486
(Dehalogenase) 		5 PHE A  38
TYR A 102
MET A 249
GLU A  92
TYR A 382
 BVQ  A 503 ( 3.9A)
None
BVQ  A 503 (-3.3A)
None
None
 1.14A 4a97F-4ur2A:
0.0
4a97G-4ur2A:
0.0		 4a97F-4ur2A:
20.95
4a97G-4ur2A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		5 GLU A  77
GLU A 131
TYR A 175
HIS A 177
PHE A 188
 None
 0.75A 4a97F-4yeuA:
29.6
4a97G-4yeuA:
29.4		 4a97F-4yeuA:
71.88
4a97G-4yeuA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		6 PHE A  19
TYR A  38
ARG A  91
MET A  93
ILE A 101
ASN A 103
 None
 0.66A 4a97F-4yeuA:
29.6
4a97G-4yeuA:
29.4		 4a97F-4yeuA:
71.88
4a97G-4yeuA:
71.88
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.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Arabidopsis
thaliana) 		PF02446
(Glyco_hydro_77) 		5 ILE A 290
GLU A 105
GLU A 104
HIS A 114
PHE A 107
 None
 1.37A 4a97F-5csuA:
0.6
4a97G-5csuA:
0.0		 4a97F-5csuA:
19.40
4a97G-5csuA:
19.40
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.
6bni LYSINE--TRNA LIGASE

(Cryptosporidium
parvum) 		no annotation 5 ARG A 523
ILE A 534
GLU A 495
GLU A 423
GLU A 457
 ADN  A 602 (-3.6A)
None
None
None
None
 1.38A 4a97F-6bniA:
0.0
4a97G-6bniA:
1.2		 4a97F-6bniA:
13.68
4a97G-6bniA:
13.68