SIMILAR PATTERNS OF AMINO ACIDS FOR 1LQP_A_FCNA4002_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lqk PROBABLE FOSFOMYCIN
RESISTANCE PROTEIN

(Pseudomonas
aeruginosa) 		PF00903
(Glyoxalase) 		6 HIS A  64
LYS A  90
SER A  94
TYR A 100
GLU A 110
ARG A 119
 MN  A 901 ( 3.3A)
PO4  A 501 (-2.6A)
K  A 701 ( 2.6A)
PO4  A 501 ( 4.1A)
MN  A 901 ( 2.6A)
PO4  A 501 ( 2.6A)
 0.24A 1lqpA-1lqkA:
24.0
1lqpB-1lqkA:
23.9		 1lqpA-1lqkA:
100.00
1lqpB-1lqkA:
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		5 TYR A  81
GLU A 153
ARG A 339
TRP A 239
CYH A 330
 None
 1.23A 1lqpA-2jbwA:
0.0
1lqpB-2jbwA:
0.0		 1lqpA-2jbwA:
17.28
1lqpB-2jbwA:
17.28
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.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		5 HIS A 218
TYR A 256
GLU A 266
HIS A  11
THR A  13
 ZN  A 500 ( 3.4A)
SO4  A 501 (-4.7A)
ZN  A 500 ( 2.1A)
ZN  A 500 ( 3.3A)
SO4  A 501 (-3.1A)
 0.31A 1lqpA-3oajA:
10.1
1lqpB-3oajA:
10.1		 1lqpA-3oajA:
15.77
1lqpB-3oajA:
15.77
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.
4huz 2,6-DICHLORO-P-HYDRO
QUINONE
1,2-DIOXYGENASE

(Sphingobium
chlorophenolicum) 		PF00903
(Glyoxalase) 		5 HIS A 227
TYR A 266
GLU A 276
HIS A  11
THR A  13
 FE  A 401 ( 3.0A)
SO4  A 402 (-4.9A)
FE  A 401 ( 2.6A)
FE  A 401 ( 3.2A)
SO4  A 402 ( 2.8A)
 0.41A 1lqpA-4huzA:
8.5
1lqpB-4huzA:
8.5		 1lqpA-4huzA:
17.15
1lqpB-4huzA:
17.15
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.
4o2i NON-LEE ENCODED TYPE
III EFFECTOR C

(Citrobacter
rodentium) 		PF13678
(Peptidase_M85) 		5 HIS A 187
GLU A 184
ARG A 232
HIS A 183
THR A 206
 ZN  A 401 (-3.2A)
ZN  A 401 ( 4.1A)
None
ZN  A 401 (-3.2A)
ZN  A 401 ( 4.6A)
 1.28A 1lqpA-4o2iA:
0.1
1lqpB-4o2iA:
0.0		 1lqpA-4o2iA:
16.05
1lqpB-4o2iA:
16.05
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 HIS A 216
GLU A 213
ARG A 348
HIS A 212
THR A 254
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
None
ZN  A1301 (-3.7A)
None
 1.44A 1lqpA-4zktA:
0.0
1lqpB-4zktA:
0.0		 1lqpA-4zktA:
7.23
1lqpB-4zktA:
7.23
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.
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		5 HIS A2336
GLU A2338
HIS A2466
THR A2333
TRP A2391
 MN  A3499 (-3.4A)
MN  A3499 (-2.5A)
MN  A3499 (-3.4A)
None
None
 1.20A 1lqpA-5fzoA:
0.0
1lqpB-5fzoA:
0.0		 1lqpA-5fzoA:
19.32
1lqpB-5fzoA:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vb0 FOSFOMYCIN
RESISTANCE PROTEIN
FOSA3

(Escherichia
coli) 		PF00903
(Glyoxalase) 		5 HIS A  67
LYS A  93
TYR A 103
GLU A 113
ARG A 122
 MN  A 201 (-3.5A)
None
None
MN  A 201 (-2.5A)
None
 0.46A 1lqpA-5vb0A:
19.2
1lqpB-5vb0A:
19.2		 1lqpA-5vb0A:
60.87
1lqpB-5vb0A:
60.87
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.
5wti CRISPR-ASSOCIATED
PROTEIN

(Bacillus
thermoamylovorans) 		no annotation 5 HIS Z  49
GLU Z  51
ARG Z 490
HIS Z 385
THR Z 378
 A  B 108 ( 4.9A)
None
G  B 107 ( 2.9A)
G  B 107 ( 3.7A)
A  B 108 ( 3.2A)
 1.45A 1lqpA-5wtiZ:
0.0
1lqpB-5wtiZ:
0.0		 1lqpA-5wtiZ:
7.27
1lqpB-5wtiZ:
7.27