SIMILAR PATTERNS OF AMINO ACIDS FOR 4HWK_A_SFYA807

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.
1oaa SEPIAPTERIN
REDUCTASE

(Mus musculus) 		PF00106
(adh_short) 		9 SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
MET A 206
GLN A 207
ALA A 210
 OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.6A)
OAA  A   1 (-3.5A)
 0.29A 4hwkA-1oaaA:
42.1		 4hwkA-1oaaA:
72.01
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.
2ad1 SULFOTRANSFERASE 1C2

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
 None
 1.10A 4hwkA-2ad1A:
2.2		 4hwkA-2ad1A:
21.08
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.
2rhz LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN

(Homo sapiens) 		PF02820
(MBT) 		5 SER A 394
CYH A 390
PHE A 375
TYR A 388
ALA A 365
 None
 1.16A 4hwkA-2rhzA:
0.0		 4hwkA-2rhzA:
20.00
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.
3cg3 UPF0100 PROTEIN
PH0151

(Pyrococcus
horikoshii) 		PF13531
(SBP_bac_11) 		5 SER A 141
TRP A 136
PRO A 175
MET A 165
ALA A 168
 None
 1.49A 4hwkA-3cg3A:
0.0		 4hwkA-3cg3A:
21.71
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 SER A 162
LEU A 163
TYR A 175
MET A 212
ALA A 216
 None
 0.87A 4hwkA-3gvcA:
25.9		 4hwkA-3gvcA:
25.68
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.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 SER A 222
LEU A 223
PHE A 236
TYR A 237
ALA A 242
 None
 1.26A 4hwkA-4iqlA:
0.9		 4hwkA-4iqlA:
24.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z3k SEPIAPTERIN
REDUCTASE

(Homo sapiens) 		PF00106
(adh_short) 		11 SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
MET A 202
GLN A 203
ALA A 206
MET A 215
 4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
NAP  A 801 (-3.5A)
4KL  A 802 ( 3.2A)
4KL  A 802 ( 4.3A)
None
 0.55A 4hwkA-4z3kA:
45.3		 4hwkA-4z3kA:
94.44
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.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		5 SER A 116
LEU A 119
PHE A 104
ALA A  63
MET A  96
 None
 1.34A 4hwkA-5swnA:
2.2		 4hwkA-5swnA:
22.50