SIMILAR PATTERNS OF AMINO ACIDS FOR 2R6V_A_NCAA174

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.
1pkr PLASMINOGEN

(Homo sapiens) 		PF00051
(Kringle) 		4 TYR A  74
ASP A  57
TRP A  62
ARG A  34
 None
 1.37A 2r6vA-1pkrA:
undetectable		 2r6vA-1pkrA:
15.08
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.
1usc PUTATIVE STYRENE
MONOOXYGENASE SMALL
COMPONENT

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		4 TYR A  16
TRP A  39
ARG A  58
HIS A 131
 None
ACT  A1180 ( 3.3A)
FMN  A1179 ( 3.8A)
ACT  A1180 ( 4.0A)
 1.26A 2r6vA-1uscA:
23.8		 2r6vA-1uscA:
28.14
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.
1usc PUTATIVE STYRENE
MONOOXYGENASE SMALL
COMPONENT

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		4 TYR A  17
TRP A  39
ARG A  58
HIS A 131
 None
ACT  A1180 ( 3.3A)
FMN  A1179 ( 3.8A)
ACT  A1180 ( 4.0A)
 0.53A 2r6vA-1uscA:
23.8		 2r6vA-1uscA:
28.14
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		4 TYR 1 659
ASP 1 623
ARG 1 676
HIS 1 506
 None
 1.31A 2r6vA-1y791:
0.0		 2r6vA-1y791:
13.79
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.
2e47 TIME INTERVAL
MEASURING ENZYME
TIME

(Bombyx mori) 		PF00080
(Sod_Cu) 		4 HIS A  67
ASP A 137
ARG A 147
HIS A 124
 ZN  A 172 ( 3.1A)
None
None
CU  A 171 (-3.2A)
 1.31A 2r6vA-2e47A:
0.0		 2r6vA-2e47A:
18.97
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.
2odt INOSITOL-TETRAKISPHO
SPHATE 1-KINASE

(Homo sapiens) 		PF05770
(Ins134_P3_kin) 		4 TYR X 207
ASP X 259
ARG X 124
HIS X 291
 None
 1.39A 2r6vA-2odtX:
0.0		 2r6vA-2odtX:
21.41
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.
2rgw ASPARTATE
CARBAMOYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 TYR A 223
ASP A 138
ARG A 292
HIS A 131
 None
 1.24A 2r6vA-2rgwA:
0.0		 2r6vA-2rgwA:
19.94
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 197
ASP A 206
TRP A 194
HIS A  44
 None
 1.39A 2r6vA-3d46A:
0.0		 2r6vA-3d46A:
18.89
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.
3eeg 2-ISOPROPYLMALATE
SYNTHASE

(Cytophaga
hutchinsonii) 		PF00682
(HMGL-like) 		4 HIS A 202
ASP A   9
ARG A  13
HIS A  97
 None
 1.11A 2r6vA-3eegA:
0.0		 2r6vA-3eegA:
17.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zog FMN-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF01613
(Flavin_Reduct) 		6 TYR A   8
HIS A  -7
ASP A  29
TRP A  30
ARG A  49
HIS A 124
 None
A2Q  A 200 (-4.2A)
FMN  A 173 (-3.3A)
A2Q  A 200 ( 3.3A)
FMN  A 173 ( 3.5A)
A2Q  A 200 ( 3.8A)
 0.22A 2r6vA-3zogA:
34.0		 2r6vA-3zogA:
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.
4jw1 EFFECTOR PROTEIN B

(Legionella
pneumophila) 		no annotation 4 HIS A 151
ASP A 179
ARG A 300
HIS A 186
 None
 1.38A 2r6vA-4jw1A:
0.0		 2r6vA-4jw1A:
15.59
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.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		4 HIS A  82
ASP A 624
ARG A 435
HIS A 539
 None
 1.46A 2r6vA-4obsA:
undetectable		 2r6vA-4obsA:
17.03
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.
4oja SUPEROXIDE DISMUTASE
[CU-ZN]

(Hydra vulgaris) 		PF00080
(Sod_Cu) 		4 HIS A  62
ASP A 132
ARG A 142
HIS A 119
 ZN  A 202 ( 3.2A)
None
None
CU  A 201 (-3.2A)
 1.49A 2r6vA-4ojaA:
undetectable		 2r6vA-4ojaA:
23.08
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.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 4 TYR A 300
HIS A 161
ASP A 307
HIS A 120
 None
ZN  A 401 (-3.3A)
None
ZN  A 401 ( 3.3A)
 1.45A 2r6vA-4zyoA:
undetectable		 2r6vA-4zyoA:
20.66
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.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		4 TYR A  54
HIS A 355
ASP A  51
HIS A 249
 None
 1.41A 2r6vA-5j5uA:
undetectable		 2r6vA-5j5uA:
20.09
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.
5uyr BACTERIOPHYTOCHROME

(Xanthomonas
campestris) 		no annotation 4 HIS A 493
ASP A 407
TRP A 489
ARG A 487
 None
 1.42A 2r6vA-5uyrA:
undetectable		 2r6vA-5uyrA:
undetectable
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.
5yy3 -

(-) 		no annotation 4 TYR A 586
HIS A 208
TRP A 179
HIS A 180
 None
 1.05A 2r6vA-5yy3A:
undetectable		 2r6vA-5yy3A:
undetectable
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 4 TYR A 485
HIS A 373
ASP A 376
HIS A 329
 None
ZN  A 902 (-3.3A)
None
ZN  A 901 ( 3.3A)
 1.41A 2r6vA-6c01A:
undetectable		 2r6vA-6c01A:
undetectable