SIMILAR PATTERNS OF AMINO ACIDS FOR 6FHW_B_ACRB801_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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		4 TRP A 437
GLU A 438
GLU A 636
LEU A 652
 ACR  A 700 (-4.8A)
ACR  A 700 (-3.5A)
None
None
 0.49A 6fhwB-1lf9A:
29.5		 6fhwB-1lf9A:
8.19
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 TRP A 429
GLU A 430
GLU A 628
LEU A 653
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
None
 0.41A 6fhwB-1ulvA:
33.9		 6fhwB-1ulvA:
6.85
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		4 TRP A 209
GLU A 210
GLU A 456
LEU A 471
 None
ACR  A 995 (-3.7A)
ACR  A 995 ( 4.6A)
None
 0.24A 6fhwB-2f6dA:
45.5		 6fhwB-2f6dA:
10.57
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		4 TRP A 178
GLU A 179
GLU A 404
LEU A 419
 None
BTB  A 620 (-3.6A)
BTB  A 620 (-4.0A)
None
 0.43A 6fhwB-2vn7A:
58.1		 6fhwB-2vn7A:
9.38
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		4 TRP A 198
GLU A 252
GLU A 194
LEU A 256
 None
 1.36A 6fhwB-2yr0A:
undetectable		 6fhwB-2yr0A:
17.45
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		4 TRP A 202
GLU A 203
GLU A 424
LEU A 439
 None
TRS  A 701 ( 3.8A)
None
None
 0.22A 6fhwB-3eqaA:
62.0		 6fhwB-3eqaA:
11.99
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.
3jys SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TRP A  86
GLU A 477
GLU A  95
LEU A 336
 None
 0.92A 6fhwB-3jysA:
0.0		 6fhwB-3jysA:
11.93
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.
3qvu SULFOTRANSFERASE 1A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 TRP A  53
GLU A 203
GLU A 194
LEU A 295
 A3P  A2001 (-3.3A)
None
None
None
 1.35A 6fhwB-3qvuA:
undetectable		 6fhwB-3qvuA:
13.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 4 TRP A 212
GLU A 213
GLU A 436
LEU A 451
 None
B3P  A 652 (-3.7A)
B3P  A 652 ( 4.6A)
None
 0.34A 6fhwB-6fhvA:
59.7		 6fhwB-6fhvA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 4 TRP A 202
GLU A 203
GLU A 424
LEU A 439
 None
 0.27A 6fhwB-6frvA:
61.1		 6fhwB-6frvA:
41.25