SIMILAR PATTERNS OF AMINO ACIDS FOR 3PY4_A_TYLA598_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
PHE C 366
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.41A 3py4A-1d7wA:
2.6		 3py4A-1d7wA:
38.17
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
PHE C 407
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-4.5A)
 1.31A 3py4A-1d7wA:
2.6		 3py4A-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.
1iah TRANSIENT RECEPTOR
POTENTIAL-RELATED
PROTEIN

(Mus musculus) 		PF02816
(Alpha_kinase) 		4 GLN A1675
ARG A1671
GLU A1672
PHE A1648
 None
 1.46A 3py4A-1iahA:
0.0		 3py4A-1iahA:
18.76
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
 1.20A 3py4A-1kyiA:
0.0		 3py4A-1kyiA:
22.88
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
 1.28A 3py4A-1ofhA:
0.0		 3py4A-1ofhA:
18.05
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
PHE A 366
 HEM  A 605 (-3.4A)
SCN  A1502 ( 4.8A)
HEM  A 605 (-4.7A)
HEM  A 605 ( 2.2A)
None
 0.37A 3py4A-2gjmA:
65.9		 3py4A-2gjmA:
99.66
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.
2p22 PROTEIN SRN2
SUPPRESSOR PROTEIN
STP22 OF
TEMPERATURE-SENSITIV
E ALPHA-FACTOR
RECEPTOR AND
ARGININE PERMEASE

(Saccharomyces
cerevisiae) 		PF07200
(Mod_r)
PF09454
(Vps23_core) 		4 GLN A 301
ARG A 297
GLU C 140
PHE C 141
 None
 1.48A 3py4A-2p22A:
1.9		 3py4A-2p22A:
14.95
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.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		4 GLN A  81
HIS A  47
GLU A 143
PHE A 145
 None
ZN  A 275 (-3.3A)
None
None
 1.34A 3py4A-3no5A:
undetectable		 3py4A-3no5A:
18.46
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLN A 106
ARG A 105
GLU A 109
PHE A  90
 None
 1.47A 3py4A-4oqjA:
0.0		 3py4A-4oqjA:
20.42
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.
5gqh ANTI-CRISPR PROTEIN
3

(Pseudomonas
phage JBD5) 		no annotation 4 GLN B  52
HIS B  48
ARG B 134
PHE B  90
 None
 1.49A 3py4A-5gqhB:
0.9		 3py4A-5gqhB:
12.87
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
PHE A 532
 HEM  A 812 (-3.3A)
None
HEM  A 812 (-3.7A)
TRS  A 824 ( 4.8A)
 0.31A 3py4A-5mfaA:
54.5		 3py4A-5mfaA:
49.78
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
PHE A 573
 HEM  A 812 (-3.3A)
None
HEM  A 812 (-3.7A)
HEM  A 812 ( 3.9A)
 0.87A 3py4A-5mfaA:
54.5		 3py4A-5mfaA:
49.78
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
PHE A 532
 HEM  A 812 (-3.3A)
None
HEM  A 812 (-4.2A)
TRS  A 824 ( 4.8A)
 1.40A 3py4A-5mfaA:
54.5		 3py4A-5mfaA:
49.78
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
PHE A 532
 None
 0.47A 3py4A-6azpA:
61.3		 3py4A-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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLN A 257
HIS A 261
ARG A 405
PHE A 573
 None
 0.95A 3py4A-6azpA:
61.3		 3py4A-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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLN A 257
HIS A 261
GLU A 408
PHE A 532
 None
 1.20A 3py4A-6azpA:
61.3		 3py4A-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 5 GLN A  97
HIS A 101
ARG A 233
GLU A 236
PHE A 352
 HEM  A 604 (-3.4A)
None
HEM  A 604 (-3.1A)
HEM  A 604 (-2.2A)
None
 0.83A 3py4A-6ercA:
39.7		 3py4A-6ercA:
9.17