SIMILAR PATTERNS OF AMINO ACIDS FOR 5JL9_A_ASDA601_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.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 ILE A 179
ILE A 165
ASP A 197
THR A 193
LEU A 202
 None
 1.25A 5jl9A-1wyeA:
0.0		 5jl9A-1wyeA:
22.44
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.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 ILE A 571
ASP A 424
THR A 428
VAL A 635
LEU A 626
 None
 1.35A 5jl9A-2b8eA:
0.0		 5jl9A-2b8eA:
19.07
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.
2f28 SIALIDASE 2

(Homo sapiens) 		PF13088
(BNR_2) 		5 ILE A 191
ASP A 215
THR A 216
VAL A 244
LEU A 240
 None
 1.22A 5jl9A-2f28A:
0.0		 5jl9A-2f28A:
19.47
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.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 388
ILE A 406
VAL A 488
MET A 382
LEU A 539
 None
 1.49A 5jl9A-2ihtA:
0.0		 5jl9A-2ihtA:
22.36
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.
2ko1 GTP
PYROPHOSPHOKINASE

(Chlorobaculum
tepidum) 		PF13291
(ACT_4) 		5 ARG A  77
ILE A   8
ILE A  26
THR A  31
VAL A  53
 None
 1.34A 5jl9A-2ko1A:
undetectable		 5jl9A-2ko1A:
10.54
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.
2voy CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 ILE I 571
ASP I 424
THR I 428
VAL I 635
LEU I 626
 None
 1.35A 5jl9A-2voyI:
0.0		 5jl9A-2voyI:
14.83
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 ARG A 628
ILE A 627
ILE A 495
VAL A 609
LEU A 614
 None
 1.48A 5jl9A-3k1jA:
0.0		 5jl9A-3k1jA:
22.85
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ILE A 382
ILE A 404
THR A 401
VAL A 362
LEU A 340
 None
 1.32A 5jl9A-3lkdA:
0.0		 5jl9A-3lkdA:
20.20
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 ILE A 121
ASP A  14
THR A  15
VAL A 217
LEU A 221
 CA  A 400 ( 4.8A)
CA  A 400 (-2.3A)
None
None
None
 1.39A 5jl9A-3t8iA:
0.0		 5jl9A-3t8iA:
20.58
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.
3vc7 PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ARG A 122
ILE A  68
ILE A  62
THR A  37
LEU A  85
 None
 1.25A 5jl9A-3vc7A:
undetectable		 5jl9A-3vc7A:
19.92
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.
4ct3 ORF30/ORF32

(Staphylococcus
virus K) 		PF05257
(CHAP) 		5 ILE A 159
ILE A 118
THR A  72
VAL A  70
LEU A  65
 None
CMH  A1166 (-4.7A)
None
None
None
 1.25A 5jl9A-4ct3A:
undetectable		 5jl9A-4ct3A:
12.57
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
ILE A 305
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
ASD  A 602 ( 4.7A)
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)
 0.22A 5jl9A-4kq8A:
64.4		 5jl9A-4kq8A:
92.05