SIMILAR PATTERNS OF AMINO ACIDS FOR 4CEV_F_GAIF412

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 MET A  88
ASP A  89
ARG A 103
HIS A  82
 None
 1.37A 4cevD-1dlmA:
0.0
4cevF-1dlmA:
0.0		 4cevD-1dlmA:
23.37
4cevF-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 ASP A 120
ARG A 122
HIS A 179
GLU A 184
 None
 1.24A 4cevD-1f82A:
0.7
4cevF-1f82A:
0.0		 4cevD-1f82A:
20.62
4cevF-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 MET A 146
ASP A 316
ARG A 313
GLU A 315
 None
 1.40A 4cevD-1ny5A:
0.2
4cevF-1ny5A:
0.9		 4cevD-1ny5A:
23.75
4cevF-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 ASP A 120
ARG A 122
HIS A 179
GLU A 184
 None
 1.14A 4cevD-2np0A:
0.0
4cevF-2np0A:
0.0		 4cevD-2np0A:
12.07
4cevF-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 ASP A 242
ARG A 238
HIS A 241
GLU A 245
 None
None
CD  A1376 (-3.4A)
CD  A1376 (-2.2A)
 1.21A 4cevD-2wxuA:
0.0
4cevF-2wxuA:
0.0		 4cevD-2wxuA:
20.78
4cevF-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 ASP A 384
ARG A 136
HIS A 137
GLU A 142
 None
 1.44A 4cevD-3hpfA:
0.2
4cevF-3hpfA:
0.1		 4cevD-3hpfA:
20.65
4cevF-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 MET A 146
ASP A 316
ARG A 313
GLU A 315
 None
 1.41A 4cevD-3m0eA:
3.6
4cevF-3m0eA:
3.7		 4cevD-3m0eA:
25.38
4cevF-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 MET A 237
ASP A 233
ARG A 278
HIS A 277
 None
 1.27A 4cevD-3smaA:
0.1
4cevF-3smaA:
0.0		 4cevD-3smaA:
24.31
4cevF-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 ASP A 121
ARG A 123
HIS A 180
GLU A 185
 None
 1.20A 4cevD-3zuqA:
0.7
4cevF-3zuqA:
0.0		 4cevD-3zuqA:
16.30
4cevF-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 ASP A 892
ARG A 879
HIS A 878
GLU A 894
 None
 1.46A 4cevD-5dkxA:
undetectable
4cevF-5dkxA:
undetectable		 4cevD-5dkxA:
14.39
4cevF-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 MET A 177
ASP A 169
ARG A 220
HIS A 204
 None
None
CL  A 301 (-4.6A)
None
 1.49A 4cevD-5e8cA:
undetectable
4cevF-5e8cA:
undetectable		 4cevD-5e8cA:
21.97
4cevF-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 MET A 291
ASP A 292
ARG A   6
GLU A 289
 None
 1.49A 4cevD-5kswA:
undetectable
4cevF-5kswA:
undetectable		 4cevD-5kswA:
25.16
4cevF-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 ASP A 232
ARG A  38
HIS A 229
GLU A 296
 None
 1.26A 4cevD-6enoA:
undetectable
4cevF-6enoA:
undetectable		 4cevD-6enoA:
undetectable
4cevF-6enoA:
undetectable