SIMILAR PATTERNS OF AMINO ACIDS FOR 3W37_A_ACRA1001_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.
2ldk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF08327
(AHSA1) 		4 PHE A  14
TRP A  31
ILE A  30
TRP A  40
 None
 1.34A 3w37A-2ldkA:
0.5		 3w37A-2ldkA:
10.43
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.
2ldk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF08327
(AHSA1) 		4 PHE A  94
TRP A  40
ILE A  30
TRP A  31
 None
 1.27A 3w37A-2ldkA:
0.5		 3w37A-2ldkA:
10.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A 327
ILE A 356
TRP A 435
TRP A 568
 TRS  A6001 ( 3.8A)
TRS  A6001 ( 4.0A)
TRS  A6001 ( 4.6A)
None
 0.25A 3w37A-3lppA:
51.9		 3w37A-3lppA:
35.98
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.
3m3p GLUTAMINE AMIDO
TRANSFERASE

(Methylobacillus
flagellatus) 		PF00117
(GATase) 		4 PHE A  23
TRP A 127
ILE A 153
TRP A 228
 None
 1.48A 3w37A-3m3pA:
0.0		 3w37A-3m3pA:
14.27
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 169
ILE A 198
TRP A 271
TRP A 417
 ACR  A 664 (-3.7A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.6A)
ACR  A 664 (-4.6A)
 0.44A 3w37A-3pocA:
35.7		 3w37A-3pocA:
26.07
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 PHE A 437
TRP A 533
ILE A 536
TRP A 489
 None
 1.43A 3w37A-3rimA:
0.0		 3w37A-3rimA:
22.77
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 TRP A 257
ILE A 141
TRP A 236
TRP A 278
 None
 1.34A 3w37A-3w5nA:
0.8		 3w37A-3w5nA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 PHE A 236
TRP A 329
ILE A 358
TRP A 432
TRP A 565
 ACR  A1001 (-4.9A)
ACR  A1001 (-4.1A)
ACR  A1001 (-3.6A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-4.8A)
 0.17A 3w37A-3welA:
66.6		 3w37A-3welA:
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 TRP A 415
ILE A 444
TRP A 517
TRP A 630
 None
TRS  A1001 ( 4.1A)
TRS  A1001 ( 4.9A)
None
 0.40A 3w37A-5dkxA:
46.0		 3w37A-5dkxA:
27.94
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 423
ILE A 452
TRP A 525
TRP A 637
 5GF  A1021 (-3.1A)
5GF  A1021 (-3.6A)
5GF  A1021 (-3.7A)
5GF  A1021 ( 4.6A)
 0.39A 3w37A-5hjrA:
41.2		 3w37A-5hjrA:
29.87