SIMILAR PATTERNS OF AMINO ACIDS FOR 4KR8_C_DM1C401_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gfn MATRIX PORIN OUTER
MEMBRANE PROTEIN F

(Escherichia
coli) 		PF00267
(Porin_1) 		5 LYS A  16
TYR A  40
ARG A  82
TYR A 102
ARG A 132
 None
 0.86A 4kr8C-1gfnA:
37.3		 4kr8C-1gfnA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1osm OMPK36

(Klebsiella
pneumoniae) 		PF00267
(Porin_1) 		5 LYS A  16
TYR A  40
ARG A  82
TYR A 102
ARG A 132
 None
 0.91A 4kr8C-1osmA:
38.3		 4kr8C-1osmA:
54.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pho PHOSPHOPORIN

(Escherichia
coli) 		PF00267
(Porin_1) 		5 LYS A  16
TYR A  40
ARG A  82
THR A 125
ARG A 132
 None
 0.75A 4kr8C-1phoA:
40.7		 4kr8C-1phoA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j1n OUTER MEMBRANE
PROTEIN C

(Escherichia
coli) 		PF00267
(Porin_1) 		5 LYS A  16
TYR A  35
ARG A  74
TYR A  94
ARG A 124
 None
 0.94A 4kr8C-2j1nA:
40.1		 4kr8C-2j1nA:
53.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		5 LYS A  16
TYR A  35
ARG A  74
TYR A  94
ARG A 124
 SO4  A1348 (-2.9A)
None
SO4  A1349 (-3.7A)
None
SO4  A1349 (-3.1A)
 0.87A 4kr8C-2xe5A:
40.5		 4kr8C-2xe5A:
54.24
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ARG A  81
TYR A 307
TYR A 867
THR A 204
ARG A 225
 None
 1.37A 4kr8C-3v8xA:
3.1		 4kr8C-3v8xA:
17.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		5 ARG A 124
ARG A  74
TYR A  35
TYR A 115
ARG A  37
 None
None
C8E  A 408 (-4.1A)
None
None
 1.46A 4kr8C-5fvnA:
40.2		 4kr8C-5fvnA:
56.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		5 LYS A  16
TYR A  35
ARG A  74
TYR A  94
ARG A 124
 None
C8E  A 408 (-4.1A)
None
None
None
 0.90A 4kr8C-5fvnA:
40.2		 4kr8C-5fvnA:
56.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 5 LYS A  16
ARG A  20
ARG A  78
TYR A  98
ARG A 129
 None
 1.08A 4kr8C-5nxnA:
40.3		 4kr8C-5nxnA:
48.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 5 LYS A  16
ARG A  78
TYR A  98
THR A 122
ARG A 129
 None
 0.62A 4kr8C-5nxnA:
40.3		 4kr8C-5nxnA:
48.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o77 OMPK35

(Klebsiella
pneumoniae) 		no annotation 6 LYS A  16
TYR A  36
ARG A  75
TYR A  95
THR A 119
ARG A 126
 None
None
C8E  A 403 (-3.1A)
None
TRS  A 401 (-4.5A)
TRS  A 401 ( 2.9A)
 0.66A 4kr8C-5o77A:
41.4		 4kr8C-5o77A:
63.41
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.
5o9c OSMOPORIN OMP36

(Klebsiella
aerogenes) 		no annotation 5 LYS C  16
TYR C  35
ARG C  75
TYR C  95
ARG C 125
 None
 0.79A 4kr8C-5o9cC:
39.0		 4kr8C-5o9cC:
17.85