SIMILAR PATTERNS OF AMINO ACIDS FOR 3SMT_A_SAMA1000

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.
1u0t INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Mycobacterium
tuberculosis) 		PF01513
(NAD_kinase) 		5 GLU A 160
PHE A 112
PRO A 213
ARG A 138
ASN A 159
 None
 1.31A 3smtA-1u0tA:
0.0		 3smtA-1u0tA:
20.87
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		7 GLU A  80
PRO A 151
ARG A 222
ASN A 242
HIS A 243
TYR A 287
PHE A 302
 None
None
SAM  A 801 (-3.3A)
SAM  A 801 (-2.9A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
SAM  A 801 (-3.9A)
 0.80A 3smtA-2h21A:
31.8		 3smtA-2h21A:
27.15
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB11

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF13656
(RNA_pol_L_2) 		5 ARG B 984
THR K  40
ARG C  34
TYR K  60
PHE K  70
 None
 1.43A 3smtA-3h0gB:
0.0		 3smtA-3h0gB:
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 PRO A 148
ASN A 251
HIS A 252
TYR A 285
PHE A 299
 None
SAM  A 484 (-3.1A)
None
SAM  A 484 (-4.8A)
SAM  A 484 (-3.5A)
 0.65A 3smtA-3rc0A:
28.8		 3smtA-3rc0A:
25.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		10 ARG A  74
GLU A 103
PHE A 105
PRO A 179
THR A 252
ARG A 253
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 (-2.8A)
None
None
SAM  A1000 ( 4.4A)
SAM  A1000 (-3.7A)
SAM  A1000 (-2.7A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.00A 3smtA-3smtA:
57.8		 3smtA-3smtA:
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.
4u1f EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF08662
(eIF2A) 		5 GLU A 469
PHE A 426
THR A 464
ARG A 483
PHE A 451
 None
 1.38A 3smtA-4u1fA:
0.0		 3smtA-4u1fA:
23.08
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.
4uer EIF3B

(Lachancea
kluyveri) 		PF00318
(Ribosomal_S2) 		5 GLU b 535
PHE b 492
THR b 530
ARG b 549
PHE b 517
 None
 1.38A 3smtA-4uerb:
0.0		 3smtA-4uerb:
21.83