SIMILAR PATTERNS OF AMINO ACIDS FOR 4WEV_X_SUZX402_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.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		6 TRP A  20
TYR A  48
HIS A 110
PHE A 122
TRP A 219
CYH A 298
 2CL  A 317 ( 3.4A)
2CL  A 317 ( 4.5A)
2CL  A 317 ( 3.8A)
2CL  A 317 ( 4.9A)
None
2CL  A 317 (-3.5A)
 1.01A 4wevX-2is7A:
50.6		 4wevX-2is7A:
70.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 TRP A  20
VAL A  47
TYR A  48
HIS A 110
TRP A 219
CYH A 298
LEU A 300
 2CL  A 317 ( 3.4A)
2CL  A 317 (-4.2A)
2CL  A 317 ( 4.5A)
2CL  A 317 ( 3.8A)
None
2CL  A 317 (-3.5A)
None
 0.44A 4wevX-2is7A:
50.6		 4wevX-2is7A:
70.16
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.
2jii SERINE/THREONINE-PRO
TEIN KINASE VRK3
MOLECULE: VACCINIA
RELATED KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 HIS A 304
ARG A 289
TRP A 383
CYH A 379
LEU A 376
 None
 1.37A 4wevX-2jiiA:
0.0		 4wevX-2jiiA:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3krb ALDOSE REDUCTASE

(Giardia
intestinalis) 		PF00248
(Aldo_ket_red) 		6 TRP A  12
VAL A  39
TYR A  40
HIS A 104
PHE A 118
CYH A 301
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
None
NAP  A 400 ( 4.0A)
 0.65A 4wevX-3krbA:
40.2		 4wevX-3krbA:
40.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o3r ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B7

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 TRP A  21
VAL A  48
TYR A  49
HIS A 111
LEU A 301
 None
None
NAP  A 317 (-4.9A)
NAP  A 317 (-4.3A)
None
 0.61A 4wevX-3o3rA:
51.7		 4wevX-3o3rA:
78.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TRP X  21
ARG X 125
TRP X 220
CYH X 299
LEU X 301
 DQP  X 402 ( 3.5A)
None
None
DQP  X 402 (-4.0A)
DQP  X 402 (-3.4A)
 1.23A 4wevX-5liyX:
55.3		 4wevX-5liyX:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		6 TRP X  21
VAL X  48
PHE X 123
TRP X 220
CYH X 299
LEU X 301
 DQP  X 402 ( 3.5A)
DQP  X 402 ( 4.5A)
DQP  X 402 (-3.7A)
None
DQP  X 402 (-4.0A)
DQP  X 402 (-3.4A)
 1.01A 4wevX-5liyX:
55.3		 4wevX-5liyX:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 TRP X  21
VAL X  48
TYR X  49
HIS X 111
PHE X 123
TRP X 220
CYH X 299
 DQP  X 402 ( 3.5A)
DQP  X 402 ( 4.5A)
DQP  X 402 ( 4.0A)
DQP  X 402 ( 4.1A)
DQP  X 402 (-3.7A)
None
DQP  X 402 (-4.0A)
 0.51A 4wevX-5liyX:
55.3		 4wevX-5liyX:
100.00