SIMILAR PATTERNS OF AMINO ACIDS FOR 3S7S_A_EXMA601_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.
1k6d ACETATE
COA-TRANSFERASE
ALPHA SUBUNIT

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 ALA A  55
ASP A  53
VAL A  73
MET A  88
LEU A  97
 None
 1.23A 3s7sA-1k6dA:
0.0		 3s7sA-1k6dA:
17.76
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.
2f96 RIBONUCLEASE T

(Pseudomonas
aeruginosa) 		PF00929
(RNase_T) 		5 ILE A  51
ALA A 195
ASP A  35
THR A 199
LEU A 129
 None
None
MG  A2001 (-2.5A)
None
None
 1.10A 3s7sA-2f96A:
0.0		 3s7sA-2f96A:
16.37
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 ARG A 100
ILE A 115
ALA A 299
THR A 303
VAL A 364
 HEM  A 500 (-2.4A)
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
 0.62A 3s7sA-3e4eA:
37.0		 3s7sA-3e4eA:
26.56
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 315
ALA A 154
THR A 152
VAL A  65
LEU A 143
 None
 1.25A 3s7sA-3jv7A:
0.0		 3s7sA-3jv7A:
19.84
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.
3l9b OTOFERLIN

(Rattus
norvegicus) 		PF00168
(C2) 		5 ILE A   4
ALA A   2
VAL A  88
MET A 114
LEU A  62
 None
 1.24A 3s7sA-3l9bA:
0.0		 3s7sA-3l9bA:
19.29
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.
3lf0 NITROGEN REGULATORY
PROTEIN P-II

(Mycobacterium
tuberculosis) 		PF00543
(P-II) 		5 ILE A  69
ALA A  23
VAL A  63
MET A   1
LEU A 112
 None
 0.87A 3s7sA-3lf0A:
0.0		 3s7sA-3lf0A:
12.57
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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 ALA A  17
ASP A  14
THR A  15
VAL A 217
LEU A 221
 None
CA  A 400 (-2.3A)
None
None
None
 1.46A 3s7sA-3t8iA:
0.0		 3s7sA-3t8iA:
20.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kq8 CYTOCHROME P450 19A1

(Homo sapiens) 		PF00067
(p450) 		9 ARG A 115
ILE A 133
TRP A 224
ALA A 306
ASP A 309
THR A 310
VAL A 370
MET A 374
LEU A 477
 HEM  A 601 ( 2.6A)
ASD  A 602 (-4.0A)
None
HEM  A 601 ( 3.6A)
ASD  A 602 (-3.8A)
ASD  A 602 (-3.9A)
HEM  A 601 (-4.4A)
ASD  A 602 (-4.3A)
ASD  A 602 (-4.5A)
 0.24A 3s7sA-4kq8A:
64.3		 3s7sA-4kq8A:
92.05
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		5 ILE A 453
ALA A 467
ASP A 468
THR A 465
VAL A 344
 None
 1.29A 3s7sA-5cbmA:
0.0		 3s7sA-5cbmA:
21.14
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		5 ARG A 833
ILE A 837
ALA A 859
VAL A 731
LEU A 806
 None
 1.37A 3s7sA-5mzoA:
undetectable		 3s7sA-5mzoA:
16.97
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.
5x7n DIAMINOPIMELATE
DECARBOXYLASE

(Corynebacterium
glutamicum) 		no annotation 5 ILE A  82
TRP A  85
ALA A 305
THR A 309
VAL A 420
 None
 1.07A 3s7sA-5x7nA:
undetectable		 3s7sA-5x7nA:
10.72
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.
6cwo RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 ALA A  39
ASP A  40
THR A  41
VAL A 110
LEU A 107
 None
 1.22A 3s7sA-6cwoA:
undetectable		 3s7sA-6cwoA:
10.25