SIMILAR PATTERNS OF AMINO ACIDS FOR 3CAS_B_ASDB331_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.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TRP A  86
THR A 221
TRP A 227
VAL A 228
VAL A 306
 None
NAP  A1001 (-4.7A)
None
None
None
 0.79A 3casB-2fvlA:
50.7		 3casB-2fvlA:
56.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TRP A  86
THR A 221
VAL A 228
VAL A 306
 None
None
NAP  A1001 (-4.7A)
None
None
 0.59A 3casB-2fvlA:
50.7		 3casB-2fvlA:
56.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 TYR A  26
TRP A  89
THR A 224
SER A 225
ASN A 227
VAL A 231
VAL A 309
 CI2  A 328 ( 4.0A)
None
None
NAP  A 327 (-4.6A)
None
None
CI2  A 328 ( 4.9A)
 0.76A 3casB-3cavA:
55.3		 3casB-3cavA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 TYR A  26
TRP A  89
TYR A 132
THR A 224
SER A 225
VAL A 231
VAL A 309
 CI2  A 328 ( 4.0A)
None
None
None
NAP  A 327 (-4.6A)
None
CI2  A 328 ( 4.9A)
 0.55A 3casB-3cavA:
55.3		 3casB-3cavA:
100.00
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 THR A  50
SER A 262
ASN A   3
VAL A   5
VAL A 138
 None
 1.49A 3casB-3ry7A:
3.1		 3casB-3ry7A:
22.95
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.
4z1p CELL WALL SURFACE
ANCHOR PROTEIN

(Streptococcus
agalactiae) 		PF16364
(Antigen_C) 		5 TYR A 265
THR A 326
ASN A 308
VAL A 179
VAL A 199
 None
 0.94A 3casB-4z1pA:
0.0		 3casB-4z1pA:
20.20
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.
6c80 CYTOKININ OXIDASE
LUCKX1.1

(Linum
usitatissimum) 		no annotation 5 TYR A  53
THR A 235
SER A 143
ASN A 126
VAL A  82
 None
 1.43A 3casB-6c80A:
0.0		 3casB-6c80A:
14.65