SIMILAR PATTERNS OF AMINO ACIDS FOR 1IHI_B_IU5B327_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.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TYR A  55
TRP A  86
HIS A 117
ILE A 129
GLU A 224
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
None
None
 0.39A 1ihiB-1q5mA:
52.3		 1ihiB-1q5mA:
78.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		8 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
GLU A 224
TRP A 227
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
None
FFA  A 325 (-3.8A)
 0.61A 1ihiB-2ipjA:
55.2		 1ihiB-2ipjA:
99.69
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.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13

(Homo sapiens) 		PF00069
(Pkinase) 		5 TYR A 132
VAL A 131
VAL A 209
ILE A 206
GLU A 317
 None
 1.31A 1ihiB-3coiA:
0.0		 1ihiB-3coiA:
22.82