SIMILAR PATTERNS OF AMINO ACIDS FOR 4CEV_B_GAIB408

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.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 ARG A 103
HIS A  82
MET A  88
ASP A  89
 None
 1.36A 4cevB-1dlmA:
0.0
4cevC-1dlmA:
0.0		 4cevB-1dlmA:
23.37
4cevC-1dlmA:
23.37
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.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 ARG A 122
HIS A 179
GLU A 184
ASP A 120
 None
 1.27A 4cevB-1f82A:
0.0
4cevC-1f82A:
0.0		 4cevB-1f82A:
20.62
4cevC-1f82A:
20.62
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.
1ny5 TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		4 ARG A 313
GLU A 315
MET A 146
ASP A 316
 None
 1.39A 4cevB-1ny5A:
0.2
4cevC-1ny5A:
0.2		 4cevB-1ny5A:
23.75
4cevC-1ny5A:
23.75
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 ARG A 122
HIS A 179
GLU A 184
ASP A 120
 None
 1.16A 4cevB-2np0A:
0.0
4cevC-2np0A:
0.0		 4cevB-2np0A:
12.07
4cevC-2np0A:
12.07
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.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 ARG A 238
HIS A 241
GLU A 245
ASP A 242
 None
CD  A1376 (-3.4A)
CD  A1376 (-2.2A)
None
 1.19A 4cevB-2wxuA:
0.0
4cevC-2wxuA:
0.0		 4cevB-2wxuA:
20.78
4cevC-2wxuA:
20.78
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 136
HIS A 137
GLU A 142
ASP A 384
 None
 1.46A 4cevB-3hpfA:
0.3
4cevC-3hpfA:
0.5		 4cevB-3hpfA:
20.65
4cevC-3hpfA:
20.65
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.
3m0e TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00158
(Sigma54_activat) 		4 ARG A 313
GLU A 315
MET A 146
ASP A 316
 None
 1.40A 4cevB-3m0eA:
0.7
4cevC-3m0eA:
0.7		 4cevB-3m0eA:
25.38
4cevC-3m0eA:
25.38
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.
3sma FRBF

(Streptomyces
rubellomurinus) 		PF02522
(Antibiotic_NAT) 		4 ARG A 278
HIS A 277
MET A 237
ASP A 233
 None
 1.29A 4cevB-3smaA:
0.0
4cevC-3smaA:
0.0		 4cevB-3smaA:
24.31
4cevC-3smaA:
24.31
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 ARG A 123
HIS A 180
GLU A 185
ASP A 121
 None
 1.20A 4cevB-3zuqA:
0.0
4cevC-3zuqA:
0.0		 4cevB-3zuqA:
16.30
4cevC-3zuqA:
16.30
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 ARG A 879
HIS A 878
GLU A 894
ASP A 892
 None
 1.45A 4cevB-5dkxA:
undetectable
4cevC-5dkxA:
undetectable		 4cevB-5dkxA:
14.39
4cevC-5dkxA:
14.39
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.
5e8c UL31

(Suid
alphaherpesvirus
1) 		PF02718
(Herpes_UL31) 		4 ARG A 220
HIS A 204
MET A 177
ASP A 169
 CL  A 301 (-4.6A)
None
None
None
 1.50A 4cevB-5e8cA:
undetectable
4cevC-5e8cA:
undetectable		 4cevB-5e8cA:
21.97
4cevC-5e8cA:
21.97
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.
5ksw DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		4 ARG A   6
GLU A 289
MET A 291
ASP A 292
 None
 1.48A 4cevB-5kswA:
1.5
4cevC-5kswA:
1.5		 4cevB-5kswA:
25.16
4cevC-5kswA:
25.16
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 4 ARG A  38
HIS A 229
GLU A 296
ASP A 232
 None
 1.28A 4cevB-6enoA:
2.9
4cevC-6enoA:
2.8		 4cevB-6enoA:
undetectable
4cevC-6enoA:
undetectable