SIMILAR PATTERNS OF AMINO ACIDS FOR 2X08_A_ASCA1253

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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 ALA A  81
ASP A  82
TYR A  86
PRO A  88
HIS A 265
 None
None
None
HEM  A 800 (-4.4A)
HEM  A 800 (-3.8A)
 0.74A 2x08A-1itkA:
32.7		 2x08A-1itkA:
18.71
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.
2x49 INVASION PROTEIN
INVA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		5 ALA A 638
ASP A 641
ILE A 637
TYR A 456
ARG A 475
 None
 1.43A 2x08A-2x49A:
0.0		 2x08A-2x49A:
23.89
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.
3b3d PUTATIVE MORPHINE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 ALA A 264
ASP A 263
ILE A 262
PRO A 172
HIS A 229
 None
 1.17A 2x08A-3b3dA:
0.0		 2x08A-3b3dA:
22.99
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.
3d3f YVGN PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 ALA A 260
ASP A 259
ILE A 258
PRO A 168
HIS A 225
 None
 1.27A 2x08A-3d3fA:
0.0		 2x08A-3d3fA:
23.31
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.
3d3f YVGN PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 ASP A 259
ILE A 258
PRO A 168
HIS A 225
ARG A 176
 None
 1.03A 2x08A-3d3fA:
0.0		 2x08A-3d3fA:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e2n CYTOCHROME C
PEROXIDASE

(Pisum sativum;
Saccharomyces
cerevisiae) 		PF00141
(peroxidase) 		5 PRO A  37
VAL A  38
ASN A  80
HIS A 174
ARG A 177
 HEM  A 296 (-4.7A)
HEM  A 296 ( 4.8A)
None
HEM  A 296 (-3.7A)
HEM  A 296 (-4.9A)
 0.21A 2x08A-3e2nA:
49.4		 2x08A-3e2nA:
95.24
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.
3g7s LONG-CHAIN-FATTY-ACI
D--COA LIGASE
(FADD-1)

(Archaeoglobus
fulgidus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A  20
ASP A  21
ILE A  17
PRO A 176
VAL A 174
 None
 1.24A 2x08A-3g7sA:
0.0		 2x08A-3g7sA:
20.11
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.
3mbf FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Encephalitozoon
cuniculi) 		PF00274
(Glycolytic) 		5 ALA A 271
ASP A 270
TYR A 224
PRO A 237
VAL A 240
 None
 1.47A 2x08A-3mbfA:
0.0		 2x08A-3mbfA:
22.73
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 ALA A  93
ASP A  94
TYR A  98
PRO A 100
HIS A 276
 None
HEM  A1741 ( 4.9A)
None
HEM  A1741 (-4.7A)
HEM  A1741 (-3.9A)
 0.75A 2x08A-4c51A:
31.9		 2x08A-4c51A:
17.65
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ALA A 204
ILE A 201
PRO A 221
VAL A 220
ASN A 218
 None
 1.23A 2x08A-4lihA:
undetectable		 2x08A-4lihA:
19.92
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 ALA A 394
ASP A 393
ILE A 392
PRO A  84
VAL A  82
 None
 1.34A 2x08A-4oe5A:
undetectable		 2x08A-4oe5A:
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.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Pseudoalteromonas
sp. SM9913) 		no annotation 5 ALA H 504
ILE H 319
TYR H 327
VAL H 326
ASN H 386
 None
 1.42A 2x08A-4qfkH:
undetectable		 2x08A-4qfkH:
19.49
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.
4w87 XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		5 ALA A 310
ILE A 286
PRO A 304
ASN A 308
ARG A 273
 None
 1.14A 2x08A-4w87A:
undetectable		 2x08A-4w87A:
20.82
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 ALA A 172
ILE A 170
TYR A 168
PRO A 167
VAL A 166
 None
 1.38A 2x08A-5h2vA:
undetectable		 2x08A-5h2vA:
14.10
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.
5m2o PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN
GROUP I DOCKERIN

(Ruminococcus
flavefaciens;
Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		5 ALA B  31
ASP B  41
ILE B  82
VAL B  43
ASN A 124
 None
CA  B 201 (-2.2A)
None
None
None
 1.41A 2x08A-5m2oB:
undetectable		 2x08A-5m2oB:
14.73
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 ALA A 467
ILE A 811
PRO A 202
VAL A 470
ASN A 195
 None
 0.99A 2x08A-5nqdA:
undetectable		 2x08A-5nqdA:
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 ASP A 486
ILE A 487
TYR A 425
PRO A 427
VAL A 389
 TRS  A 703 (-3.1A)
TRS  A 703 (-4.7A)
None
None
None
 1.21A 2x08A-5opqA:
undetectable		 2x08A-5opqA:
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.
5v8z ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 29

(Homo sapiens) 		PF07749
(ERp29) 		5 ALA A 199
TYR A 161
PRO A 159
VAL A 160
ASN A 187
 None
 1.44A 2x08A-5v8zA:
1.5		 2x08A-5v8zA:
17.75
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.
5z2n -

(-) 		no annotation 5 ALA B  35
ASP B  36
ILE B  37
PRO B  51
ASN B   2
 None
 1.49A 2x08A-5z2nB:
undetectable		 2x08A-5z2nB:
undetectable