SIMILAR PATTERNS OF AMINO ACIDS FOR 4PCL_B_SAMB301_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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		4 SER A 461
GLU A 392
GLU A 399
ASP A 429
 None
 1.36A 4pclB-1g01A:
0.9		 4pclB-1g01A:
19.51
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.
1l5a AMIDE SYNTHASE

(Vibrio cholerae) 		PF00668
(Condensation) 		4 SER A 174
GLU A 168
GLU A 314
ASP A 180
 None
 1.33A 4pclB-1l5aA:
0.0		 4pclB-1l5aA:
18.54
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		4 SER A 102
GLU A  49
GLU A  37
ASP A 139
 None
 1.49A 4pclB-1on9A:
0.6		 4pclB-1on9A:
20.24
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.
2ggj N-ACYLAMINO ACID
RACEMASE

(Deinococcus
radiodurans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 324
GLU A 300
GLU A  57
ASP A 322
 None
 1.47A 4pclB-2ggjA:
0.7		 4pclB-2ggjA:
19.73
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 SER A 211
GLU A 289
GLU A 448
ASP A 284
 None
 0.96A 4pclB-3iv0A:
0.0		 4pclB-3iv0A:
17.99
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.
3m85 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 SER G 228
GLU G 100
GLU G  94
ASP G 209
 None
 1.32A 4pclB-3m85G:
0.0		 4pclB-3m85G:
21.66
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.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		4 SER A 632
GLU A 327
GLU A 334
ASP A 630
 None
 1.43A 4pclB-3muuA:
undetectable		 4pclB-3muuA:
15.62
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.
3s9x ASCH DOMAIN

(Vibrio cholerae) 		PF04266
(ASCH) 		4 SER A  28
GLU A 147
GLU A 109
ASP A  30
 None
 0.99A 4pclB-3s9xA:
undetectable		 4pclB-3s9xA:
19.11
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.
3wdo MFS TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		4 SER A 190
GLU A 130
GLU A 272
ASP A 126
 None
 1.48A 4pclB-3wdoA:
0.0		 4pclB-3wdoA:
19.64
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.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 SER A 190
GLU A 225
GLU A 218
ASP A 210
 EDO  A 403 ( 4.3A)
None
None
None
 1.47A 4pclB-4idaA:
6.5		 4pclB-4idaA:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		4 SER A  70
GLU A  88
GLU A 116
ASP A 136
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.9A)
MN  A 303 ( 2.7A)
 0.15A 4pclB-4pclA:
40.6		 4pclB-4pclA:
100.00