SIMILAR PATTERNS OF AMINO ACIDS FOR 2XFS_A_J01A600_1

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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 SER A 377
ALA A 142
GLY A 363
SER A 361
PHE A 166
 None
None
PGO  A2602 ( 4.2A)
None
None
 1.39A 2xfsA-1uc4A:
0.0		 2xfsA-1uc4A:
22.53
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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 TYR A  86
ALA A 116
GLY A 117
MET A 120
PHE A 129
 None
 1.34A 2xfsA-2bfeA:
0.0		 2xfsA-2bfeA:
20.58
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 THR A 259
ALA A 542
GLY A 541
SER A 254
ARG A1218
 MGD  A1246 (-2.9A)
MGD  A1246 (-3.2A)
MGD  A1246 (-3.0A)
MGD  A1246 (-4.3A)
MGD  A1246 ( 2.7A)
 1.35A 2xfsA-3egwA:
0.0		 2xfsA-3egwA:
17.56
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		5 THR A 329
ALA A 361
GLY A 362
SER A 146
PHE A 382
 None
 1.20A 2xfsA-3os6A:
0.0		 2xfsA-3os6A:
23.54
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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 SER A 114
ALA A  84
GLY A  83
SER A 148
PHE A  45
 None
 1.25A 2xfsA-3ttsA:
0.0		 2xfsA-3ttsA:
22.81
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 SER A  82
TYR A  54
ALA A  59
GLY A  64
SER A  63
 None
 1.36A 2xfsA-4gl3A:
0.0		 2xfsA-4gl3A:
21.03
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.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		5 SER A  98
TYR A  63
ALA A  68
GLY A  73
SER A  72
 None
 1.37A 2xfsA-4qt9A:
0.6		 2xfsA-4qt9A:
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.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		5 SER A  75
TYR A  40
ALA A  45
GLY A  50
SER A  49
 None
 1.34A 2xfsA-5gzhA:
0.0		 2xfsA-5gzhA:
20.75
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.
5w7a ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT

(Oryctolagus
cuniculus) 		no annotation 5 THR B 304
SER B 301
ALA B 265
GLY B 264
ARG B 196
 None
 1.47A 2xfsA-5w7aB:
undetectable		 2xfsA-5w7aB:
11.61
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		5 TYR A 217
ALA A 189
GLY A 190
MET A 206
PHE A 208
 None
 1.47A 2xfsA-5wzrA:
2.6		 2xfsA-5wzrA:
22.71
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 SER A 343
TYR A 315
ALA A 320
GLY A 325
SER A 324
 None
 1.32A 2xfsA-5z06A:
undetectable		 2xfsA-5z06A:
9.80
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 5 THR A 404
ALA A 412
GLY A 410
PHE A 413
ARG A  65
 None
None
None
None
PYR  A 602 (-4.0A)
 1.14A 2xfsA-6d5iA:
undetectable		 2xfsA-6d5iA:
10.51