SIMILAR PATTERNS OF AMINO ACIDS FOR 1IE9_A_VDXA500_2

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.
1cqy BETA-AMYLASE

(Bacillus cereus) 		PF00686
(CBM_20) 		4 LEU A 458
ILE A 479
ARG A 443
TRP A 449
 None
 1.22A 1ie9A-1cqyA:
undetectable		 1ie9A-1cqyA:
18.88
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.
1ejb LUMAZINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00885
(DMRL_synthase) 		4 LEU A 109
ILE A  31
ARG A  28
TRP A  26
 None
None
None
INJ  A 200 (-3.9A)
 1.44A 1ie9A-1ejbA:
undetectable		 1ie9A-1ejbA:
19.10
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.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		4 LEU A  91
ILE A 430
ARG A 322
TRP A 420
 None
FAD  A 527 (-4.7A)
CIT  A 526 (-3.3A)
FAD  A 527 (-3.8A)
 1.38A 1ie9A-1f8rA:
0.0		 1ie9A-1f8rA:
17.72
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.
1jiu DNA
BETA-GLUCOSYLTRANSFE
RASE

(Escherichia
virus T4) 		PF09198
(T4-Gluco-transf) 		4 LEU A 324
ILE A 255
ARG A 269
TRP A 271
 None
None
UDP  A 353 (-3.9A)
None
 1.04A 1ie9A-1jiuA:
0.0		 1ie9A-1jiuA:
22.31
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.
1wh0 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 19

(Homo sapiens) 		PF04969
(CS) 		4 LEU A  67
ILE A  58
ARG A  80
TRP A  81
 None
 1.43A 1ie9A-1wh0A:
0.0		 1ie9A-1wh0A:
18.38
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.
2adf 82D6A3 IGG

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 124
ILE L 149
ARG L 154
TRP L 147
 None
 1.09A 1ie9A-2adfL:
undetectable		 1ie9A-2adfL:
20.96
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.
2gbx BIPHENYL
2,3-DIOXYGENASE
ALPHA SUBUNIT

(Sphingobium
yanoikuyae) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A 190
ILE A 370
ARG A  17
TRP A  21
 None
 1.42A 1ie9A-2gbxA:
0.0		 1ie9A-2gbxA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		4 LEU A 223
ILE A 267
ARG A 270
TRP A 282
 None
VD4  A 500 ( 4.7A)
VD4  A 500 ( 4.0A)
VD4  A 500 ( 3.7A)
 0.29A 1ie9A-2o4jA:
39.3		 1ie9A-2o4jA:
90.73
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		4 LEU A 393
ILE A 439
ARG A 435
TRP A 437
 None
 1.30A 1ie9A-3ayfA:
0.0		 1ie9A-3ayfA:
15.94
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 LEU A  23
ILE A 499
ARG A  13
TRP A 504
 None
 1.46A 1ie9A-3ne5A:
0.0		 1ie9A-3ne5A:
13.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 227
ILE A 271
ARG A 274
TRP A 286
 None
ED9  A 501 (-4.5A)
ED9  A 501 (-2.9A)
ED9  A 501 (-3.5A)
 0.30A 1ie9A-3wgpA:
42.6		 1ie9A-3wgpA:
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.
4pb0 AB53 LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 125
ILE L 150
ARG L 155
TRP L 148
 None
 1.42A 1ie9A-4pb0L:
undetectable		 1ie9A-4pb0L:
20.15
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.
4pmu ENDO-1,4-BETA-XYLANA
SE A

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		4 LEU A 195
ILE A 156
ARG A 164
TRP A 168
 None
 1.41A 1ie9A-4pmuA:
undetectable		 1ie9A-4pmuA:
18.41
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.
4qb9 ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycolicibacterium
smegmatis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 LEU A 254
ILE A 174
ARG A 177
TRP A 178
 None
 1.26A 1ie9A-4qb9A:
undetectable		 1ie9A-4qb9A:
20.67
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 LEU A 806
ILE A 839
ARG A 860
TRP A 858
 None
 1.21A 1ie9A-4xriA:
undetectable		 1ie9A-4xriA:
12.15
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.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		4 LEU A1569
ILE A1511
ARG A1509
TRP A1533
 None
 1.46A 1ie9A-4ziuA:
undetectable		 1ie9A-4ziuA:
18.76
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.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		4 LEU A  91
ILE A 430
ARG A 322
TRP A 420
 None
FAD  A 501 (-4.6A)
None
FAD  A 501 (-4.3A)
 1.39A 1ie9A-5ts5A:
undetectable		 1ie9A-5ts5A:
21.38
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 4 LEU A 255
ILE A 299
ARG A 302
TRP A 314
 None
DZW  A 501 (-4.7A)
DZW  A 501 (-3.8A)
DZW  A 501 (-3.5A)
 0.32A 1ie9A-6fobA:
37.3		 1ie9A-6fobA:
23.26