SIMILAR PATTERNS OF AMINO ACIDS FOR 4WH5_B_3QBB203

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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 TYR A 225
ASP A 229
ASP A 179
HIS A 151
PHE A 244
 None
None
ZN  A 502 (-2.0A)
ZN  A 502 (-4.2A)
None
 1.46A 4wh5A-2anpA:
0.1
4wh5B-2anpA:
0.1		 4wh5A-2anpA:
19.93
4wh5B-2anpA:
19.93
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.
2x8r GLYCOSYL HYDROLASE

(Aspergillus
fumigatus) 		PF01183
(Glyco_hydro_25) 		5 ASP A  16
ASP A 201
ASP A 203
ASP A 194
PHE A  36
 None
 1.32A 4wh5A-2x8rA:
0.0
4wh5B-2x8rA:
0.0		 4wh5A-2x8rA:
18.94
4wh5B-2x8rA:
18.94
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.
4ce7 UNSATURATED
3S-RHAMNOGLYCURONYL
HYDROLASE

(Nonlabens
ulvanivorans) 		PF07470
(Glyco_hydro_88) 		5 ARG A 324
ASP A 341
HIS A 320
TRP A 312
PHE A 351
 None
 1.40A 4wh5A-4ce7A:
0.0
4wh5B-4ce7A:
0.0		 4wh5A-4ce7A:
22.68
4wh5B-4ce7A:
22.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fo1 LINCOSAMIDE
RESISTANCE PROTEIN

(Staphylococcus
haemolyticus) 		PF10706
(Aminoglyc_resit) 		9 ASP A  28
ASP A  48
ASP A  50
ARG A  78
ASP A  90
HIS A  92
GLN A 104
TRP A 118
PHE A 119
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.2A)
None
None
EPE  A 201 (-3.4A)
EPE  A 201 (-2.7A)
None
None
 0.60A 4wh5A-4fo1A:
29.0
4wh5B-4fo1A:
29.1		 4wh5A-4fo1A:
100.00
4wh5B-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fo1 LINCOSAMIDE
RESISTANCE PROTEIN

(Staphylococcus
haemolyticus) 		PF10706
(Aminoglyc_resit) 		7 ASP A  28
ASP A  48
ASP A  90
HIS A  92
GLN A 104
TRP A 118
PHE A 140
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
None
EPE  A 201 (-3.4A)
EPE  A 201 (-2.7A)
None
EPE  A 201 (-3.7A)
 0.83A 4wh5A-4fo1A:
29.0
4wh5B-4fo1A:
29.1		 4wh5A-4fo1A:
100.00
4wh5B-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fo1 LINCOSAMIDE
RESISTANCE PROTEIN

(Staphylococcus
haemolyticus) 		PF10706
(Aminoglyc_resit) 		5 ASP A  50
ASP A  90
HIS A  92
TRP A 118
PHE A 140
 EPE  A 201 (-3.2A)
None
EPE  A 201 (-3.4A)
None
EPE  A 201 (-3.7A)
 1.47A 4wh5A-4fo1A:
29.0
4wh5B-4fo1A:
29.1		 4wh5A-4fo1A:
100.00
4wh5B-4fo1A:
100.00
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.
4zgj NITRILE HYDRATASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02211
(NHase_beta) 		5 ASP B 160
ARG B  52
ASP B  49
HIS B 135
PHE B 138
 None
 1.04A 4wh5A-4zgjB:
0.2
4wh5B-4zgjB:
0.0		 4wh5A-4zgjB:
20.47
4wh5B-4zgjB:
20.47
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.
5msz THERMOBIA DOMESTICA
DOMESTICA AA15

(Thermobia
domestica) 		no annotation 5 ASP A  27
ARG A  15
ASP A  26
HIS A   3
PHE A  95
 None
 1.46A 4wh5A-5mszA:
0.0
4wh5B-5mszA:
0.0		 4wh5A-5mszA:
19.73
4wh5B-5mszA:
19.73