SIMILAR PATTERNS OF AMINO ACIDS FOR 5ZOV_A_ASCA501

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.
1ece ENDOCELLULASE E1

(Acidothermus
cellulolyticus) 		PF00150
(Cellulase) 		5 TYR A 240
HIS A 238
HIS A 116
GLN A 123
ASP A 114
 BGC  A 402 ( 4.7A)
None
BGC  A 403 ( 4.2A)
BGC  A 403 (-3.4A)
None
 1.13A 5zovA-1eceA:
0.0		 5zovA-1eceA:
22.52
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.
2oa2 BH2720 PROTEIN

(Bacillus
halodurans) 		PF07883
(Cupin_2) 		5 HIS A 274
HIS A 208
GLN A 213
ARG A 181
ILE A 203
 None
 1.49A 5zovA-2oa2A:
undetectable		 5zovA-2oa2A:
13.90
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.
2zoo PROBABLE NITRITE
REDUCTASE

(Pseudoalteromonas
haloplanktis) 		PF00034
(Cytochrom_C)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 HIS A  89
ILE A 122
HIS A 124
ASP A  87
ALA A 126
 CU  A 501 (-3.1A)
None
CU  A 501 (-3.2A)
CU  A 501 ( 4.1A)
None
 1.45A 5zovA-2zooA:
0.0		 5zovA-2zooA:
23.56
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.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 TYR A 758
ILE A 308
GLN A 311
HIS A 438
ILE A 479
 None
 1.45A 5zovA-3s29A:
0.0		 5zovA-3s29A:
19.70
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.
4h7n ALDEHYDE
DEHYDROGENASE

(Trichormus
variabilis) 		PF00171
(Aldedh) 		5 TYR A 270
ILE A 266
ARG A 268
ALA A 410
ILE A 237
 None
 1.19A 5zovA-4h7nA:
0.0		 5zovA-4h7nA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		9 TYR A  87
HIS A 135
ILE A 136
GLN A 139
HIS A 194
GLN A 195
ASP A 314
ALA A 316
ILE A 358
 ASC  A 501 (-3.9A)
ASC  A 501 (-4.1A)
None
ASC  A 501 (-2.5A)
ASC  A 501 (-4.1A)
ASC  A 501 (-4.0A)
ASC  A 501 (-2.7A)
ASC  A 501 ( 3.7A)
ASC  A 501 ( 4.9A)
 0.35A 5zovA-4rp8A:
44.5		 5zovA-4rp8A:
62.88
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.
4wsh UROPORPHYRINOGEN
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF01208
(URO-D) 		5 ILE A 247
GLN A 290
GLN A 206
ALA A 202
ILE A  74
 None
 1.36A 5zovA-4wshA:
0.0		 5zovA-4wshA:
22.89
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 ILE A 246
GLN A 289
GLN A 205
ALA A 201
ILE A  73
 None
None
None
None
CL  A 404 ( 4.4A)
 1.39A 5zovA-4zr8A:
0.0		 5zovA-4zr8A:
21.80
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 HIS A 286
ILE A 367
HIS A 322
ALA A 290
ILE A 165
 KCX  A 192 ( 3.5A)
None
KCX  A 192 (-3.8A)
None
KCX  A 192 (-3.7A)
 1.16A 5zovA-5hqlA:
0.0		 5zovA-5hqlA:
24.28
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.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III

(Methanococcoides
burtonii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 HIS A 286
ILE A 397
HIS A 322
ALA A 290
ILE A 165
 KCX  A 193 ( 4.3A)
None
CAP  A 501 (-4.0A)
None
CAP  A 501 (-3.7A)
 1.20A 5zovA-5macA:
undetectable		 5zovA-5macA:
24.82
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.
5vdk WEE1-LIKE PROTEIN
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 330
HIS A 331
ASP A 416
ALA A 415
ILE A 387
 None
 1.47A 5zovA-5vdkA:
undetectable		 5zovA-5vdkA:
21.64
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.
5zov -

(-) 		no annotation 10 TYR A  87
HIS A 135
ILE A 136
GLN A 139
HIS A 194
GLN A 195
ARG A 288
ASP A 314
ALA A 316
ILE A 358
 ASC  A 501 (-4.0A)
ASC  A 501 (-4.0A)
None
ASC  A 501 (-3.1A)
ASC  A 501 (-4.0A)
ASC  A 501 (-4.2A)
ASC  A 501 (-3.0A)
ASC  A 501 (-2.7A)
ASC  A 501 (-3.6A)
ASC  A 501 ( 4.9A)
 0.01A 5zovA-5zovA:
74.7		 5zovA-5zovA:
undetectable