SIMILAR PATTERNS OF AMINO ACIDS FOR 4YVV_B_GBMB402_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) 		5 TYR A  24
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.4A)
 0.43A 4yvvB-1q5mA:
51.5		 4yvvB-1q5mA:
77.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1

(Caenorhabditis
elegans) 		PF00248
(Aldo_ket_red) 		5 TYR A  52
TRP A  83
HIS A 114
ASN A 154
PHE A 299
 None
 0.71A 4yvvB-1qwkA:
40.0		 4yvvB-1qwkA:
39.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 LEU A  54
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 None
 0.60A 4yvvB-1ralA:
41.2		 4yvvB-1ralA:
70.19
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) 		6 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 None
None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
NAP  A1001 (-3.1A)
 0.20A 4yvvB-2fvlA:
51.9		 4yvvB-2fvlA:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TYR A  48
TRP A  79
HIS A 110
ASN A 155
 ACT  A 501 ( 4.0A)
ACT  A 501 ( 4.3A)
None
ACT  A 501 ( 4.0A)
NAP  A 401 (-3.4A)
 0.36A 4yvvB-3h7rA:
40.8		 4yvvB-3h7rA:
39.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 MLY  A  25 (-3.6A)
NAD  A 327 ( 4.7A)
None
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.3A)
 0.31A 4yvvB-3ln3A:
49.6		 4yvvB-3ln3A:
64.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 LEU A  57
TYR A  58
TRP A  81
HIS A 112
ASN A 144
 None
 0.52A 4yvvB-3wbxA:
35.6		 4yvvB-3wbxA:
35.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h8n CONJUGATED
POLYKETONE REDUCTASE
C2

(Candida
parapsilosis) 		PF00248
(Aldo_ket_red) 		5 TYR A  63
HIS A 125
SER A 126
ASN A 162
PHE A 299
 NDP  A3001 (-4.7A)
NDP  A3001 (-4.5A)
None
NDP  A3001 (-3.3A)
NDP  A3001 ( 4.2A)
 0.37A 4yvvB-4h8nA:
30.8		 4yvvB-4h8nA:
33.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q3m MGS-M4

(unidentified) 		PF00248
(Aldo_ket_red) 		5 TYR A  48
TRP A  75
HIS A 106
ASN A 137
PHE A 266
 None
 0.49A 4yvvB-4q3mA:
38.6		 4yvvB-4q3mA:
37.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 6 TYR A  24
LEU A  54
TYR A  55
HIS A 117
SER A  87
TRP A 227
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
CJ2  A 402 ( 3.8A)
None
CJ2  A 402 ( 4.8A)
 1.46A 4yvvB-6f2uA:
52.8		 4yvvB-6f2uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 8 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
SER A 118
ASN A 167
TRP A 227
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 3.3A)
CJ2  A 402 ( 4.8A)
 0.82A 4yvvB-6f2uA:
52.8		 4yvvB-6f2uA:
100.00