SIMILAR PATTERNS OF AMINO ACIDS FOR 5HPW_D_3CJD609

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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 GLN A  91
HIS A  95
ARG C 239
GLU C 242
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
 0.34A 5hpwD-1d7wA:
undetectable		 5hpwD-1d7wA:
38.17
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.
1kyi ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLN A  15
HIS A  16
ARG A  69
GLU A  12
 None
 1.21A 5hpwD-1kyiA:
0.0		 5hpwD-1kyiA:
21.67
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.
1ofh ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLN A  15
HIS A  16
ARG A  69
GLU A  12
 None
 1.33A 5hpwD-1ofhA:
0.0		 5hpwD-1ofhA:
18.18
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLN A 142
HIS A 145
ARG A 162
GLU A 166
 None
 1.49A 5hpwD-1qvrA:
0.0		 5hpwD-1qvrA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		4 GLN A  91
HIS A  95
ARG A 239
GLU A 242
 HEM  A 605 (-3.4A)
SCN  A1502 ( 4.8A)
HEM  A 605 (-4.7A)
HEM  A 605 ( 2.2A)
 0.53A 5hpwD-2gjmA:
22.1		 5hpwD-2gjmA:
95.54
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		4 GLN A 479
HIS A 519
ARG A 521
GLU A 525
 None
 1.49A 5hpwD-2wkpA:
0.0		 5hpwD-2wkpA:
20.40
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 4 GLN A  97
HIS A 101
ARG A 233
GLU A 236
 HEM  A 604 (-3.4A)
None
HEM  A 604 (-3.1A)
HEM  A 604 (-2.2A)
 0.63A 5hpwD-6ercA:
39.4		 5hpwD-6ercA:
8.99