SIMILAR PATTERNS OF AMINO ACIDS FOR 3KEE_C_30BC500_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 None
 0.55A 3keeC-1cu1A:
32.1		 3keeC-1cu1A:
32.92
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		4 GLN G 163
PHE G 427
TYR G 311
LEU G 339
 None
 1.38A 3keeC-2uv8G:
0.0		 3keeC-2uv8G:
6.27
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 GLN A 433
PHE A 355
TYR A 325
LEU A 440
 None
 1.45A 3keeC-3gcwA:
0.0		 3keeC-3gcwA:
17.74
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLN A 748
PHE A 123
TYR A 691
LEU A 375
 None
 1.46A 3keeC-4i3gA:
undetectable		 3keeC-4i3gA:
13.13
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.
4l37 ARYLPHORIN
SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLN B 161
PHE A 289
TYR B 192
LEU B 201
 None
 1.49A 3keeC-4l37B:
0.0		 3keeC-4l37B:
13.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 2R8  A 301 ( 3.5A)
2R8  A 301 (-4.6A)
None
2R8  A 301 (-4.4A)
 0.62A 3keeC-4nwkA:
30.5		 3keeC-4nwkA:
75.36
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 GLN B 433
PHE B 355
TYR B 325
LEU B 440
 None
None
None
PG4  B 503 ( 4.7A)
 1.43A 3keeC-4ov6B:
0.0		 3keeC-4ov6B:
20.33
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.
4pqg GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
pneumoniae) 		PF00534
(Glycos_transf_1) 		4 GLN A  61
PHE A  37
TYR A   4
LEU A  51
 None
 1.44A 3keeC-4pqgA:
0.0		 3keeC-4pqgA:
16.80
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.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		4 GLN A 207
PHE A 221
TYR A  72
LEU A 203
 None
 1.30A 3keeC-4y5rA:
undetectable		 3keeC-4y5rA:
18.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A1041
PHE A1043
TYR A1056
LEU A1135
 5RS  A1203 (-2.9A)
5RS  A1203 (-4.3A)
SO4  A1201 ( 4.5A)
5RS  A1203 (-4.2A)
 0.50A 3keeC-5eqqA:
30.7		 3keeC-5eqqA:
80.53
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLN A 317
PHE A 558
TYR A 258
LEU A  27
 None
 1.48A 3keeC-5k6oA:
undetectable		 3keeC-5k6oA:
12.27
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.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		4 GLN A 433
PHE A 355
TYR A 325
LEU A 440
 None
 1.40A 3keeC-5vlhA:
undetectable		 3keeC-5vlhA:
17.75
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 4 GLN A 517
PHE A 514
TYR A 878
LEU A 702
 None
 1.49A 3keeC-6brsA:
undetectable		 3keeC-6brsA:
18.95