SIMILAR PATTERNS OF AMINO ACIDS FOR 5HPW_A_3CJA609_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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
ARG C 333
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-2.9A)
 0.47A 5hpwA-1d7wA:
undetectable		 5hpwA-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.
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
 1.29A 5hpwA-1ofhA:
0.0		 5hpwA-1ofhA:
18.18
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) 		5 GLN A  91
HIS A  95
ARG A 239
GLU A 242
ARG A 333
 HEM  A 605 (-3.4A)
SCN  A1502 ( 4.8A)
HEM  A 605 (-4.7A)
HEM  A 605 ( 2.2A)
HEM  A 605 (-2.8A)
 0.43A 5hpwA-2gjmA:
59.2		 5hpwA-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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLN A  70
HIS A  69
GLU A  65
ARG A  84
 None
 0.93A 5hpwA-2gp6A:
0.0		 5hpwA-2gp6A:
21.64
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		4 GLN A 200
HIS A 195
GLU A 231
ARG A 159
 IOD  A 349 ( 4.8A)
None
None
None
 1.37A 5hpwA-3menA:
0.0		 5hpwA-3menA:
20.82
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.
4g2c DYP2

(Amycolatopsis
sp. ATCC 39116) 		no annotation 4 GLN A 251
HIS A 187
GLU A 186
ARG A 369
 HEM  A 501 (-3.9A)
None
HEM  A 501 (-4.1A)
None
 1.42A 5hpwA-4g2cA:
0.0		 5hpwA-4g2cA:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 GLN A 257
HIS A 261
ARG A 405
ARG A 499
 HEM  A 812 (-3.3A)
None
HEM  A 812 (-3.7A)
HEM  A 812 (-2.8A)
 0.38A 5hpwA-5mfaA:
53.7		 5hpwA-5mfaA:
49.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 GLN A 257
HIS A 261
GLU A 408
ARG A 499
 HEM  A 812 (-3.3A)
None
HEM  A 812 (-4.2A)
HEM  A 812 (-2.8A)
 1.09A 5hpwA-5mfaA:
53.7		 5hpwA-5mfaA:
49.64
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.
5oym PC4 AND
SFRS1-INTERACTING
PROTEIN

(Homo sapiens) 		no annotation 4 GLN H 353
HIS H 393
GLU H 345
ARG H 351
 None
 0.89A 5hpwA-5oymH:
undetectable		 5hpwA-5oymH:
9.48
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLN A 257
HIS A 261
ARG A 405
ARG A 499
 None
 0.54A 5hpwA-6azpA:
54.0		 5hpwA-6azpA:
11.90
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)
 0.81A 5hpwA-6ercA:
13.3		 5hpwA-6ercA:
8.99
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
GLU A 236
ARG A 322
 HEM  A 604 (-3.4A)
None
HEM  A 604 (-2.2A)
HEM  A 604 (-2.4A)
 0.38A 5hpwA-6ercA:
13.3		 5hpwA-6ercA:
8.99