SIMILAR PATTERNS OF AMINO ACIDS FOR 3KEE_A_30BA500_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
VAL A 132
 None
 0.53A 3keeA-1cu1A:
32.1		 3keeA-1cu1A:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A  41
PHE A  43
TYR A  56
VAL A 132
 None
 0.73A 3keeA-1ns3A:
32.7		 3keeA-1ns3A:
96.26
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.
2iwa GLUTAMINE
CYCLOTRANSFERASE

(Carica papaya) 		PF05096
(Glu_cyclase_2) 		4 GLN A  46
PHE A  44
TYR A  63
VAL A  78
 None
 1.42A 3keeA-2iwaA:
0.0		 3keeA-2iwaA:
20.80
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.
4ll9 LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1

(Homo sapiens) 		PF00047
(ig) 		4 GLN A  47
PHE A  62
TYR A  38
VAL A  16
 None
 1.32A 3keeA-4ll9A:
1.7		 3keeA-4ll9A:
22.33
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.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		4 GLN A 313
PHE A 513
TYR A 507
VAL A 553
 None
 1.07A 3keeA-4mzdA:
0.0		 3keeA-4mzdA:
18.48
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLN A 168
PHE A 165
TYR A 141
VAL A 474
 None
 1.26A 3keeA-4yzwA:
0.0		 3keeA-4yzwA:
13.39
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		4 GLN A 354
PHE A 673
TYR A 676
VAL A 712
 None
 1.40A 3keeA-5h42A:
0.0		 3keeA-5h42A:
11.50
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.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 4 GLN A 314
PHE A 311
TYR A 303
VAL A 145
 None
FAD  A 500 (-4.6A)
None
None
 1.50A 3keeA-5nmwA:
0.0		 3keeA-5nmwA:
19.17
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.
5xs7 HEAVY CHAIN OF FAB
1D5
LIGHT CHAIN OF FAB
1D5

(Mus musculus) 		PF07686
(V-set) 		4 GLN L 105
PHE H 115
TYR H 112
VAL L  71
 None
 1.21A 3keeA-5xs7L:
undetectable		 3keeA-5xs7L:
18.85