SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'FFA'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1IHI_A_IU5A326_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 10 VAL A  54
TYR A  55
HIS A 117
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 1.45A 1ihiA-2ipjA:
55.3		 1ihiA-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IHI_A_IU5A326_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		9 / 10 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
GLU A 224
TRP A 227
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.57A 1ihiA-2ipjA:
55.3		 1ihiA-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IHI_B_IU5B327_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 9 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 6 TRP A  86
VAL A 128
ILE A 129
TRP A 227
LEU A 306
 None
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 0.56A 1j96A-2ipjA:
55.9		 1j96A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J96_B_TESB904_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		6 / 7 VAL A 128
ILE A 129
HIS A 222
GLU A 224
TRP A 227
LEU A 306
 None
None
NAP  A   1 ( 4.8A)
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 0.81A 1j96B-2ipjA:
55.5		 1j96B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		6 / 11 TYR A  55
ILE A 129
HIS A 222
GLU A 224
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
None
NAP  A   1 ( 4.8A)
None
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.80A 1mrqA-2ipjA:
55.2		 1mrqA-2ipjA:
97.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		6 / 11 TYR A  55
VAL A 128
ILE A 129
HIS A 222
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
None
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.65A 1mrqA-2ipjA:
55.2		 1mrqA-2ipjA:
97.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 11 TYR A  55
VAL A 128
ILE A 129
HIS A 222
TRP A 227
 FFA  A 325 ( 4.3A)
None
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
 0.95A 1mrqA-2ipjA:
55.2		 1mrqA-2ipjA:
97.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		4 / 6 TYR A  55
HIS A 117
GLU A 224
PRO A 226
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
None
 0.85A 1q13A-2ipjA:
52.1		 1q13A-2ipjA:
78.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S2A_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		6 / 12 TRP A  86
HIS A 117
MET A 120
GLU A 192
TYR A 216
GLN A 222
 None
FFA  A   3 ( 4.1A)
None
None
NAP  A   1 (-3.5A)
NAP  A   1 (-4.7A)
 0.82A 1s2aA-2ipfA:
50.6		 1s2aA-2ipfA:
71.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S2A_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 12 TRP A  86
HIS A 117
GLU A 192
TYR A 216
SER A 217
 None
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
 0.28A 1s2aA-2ipjA:
51.3		 1s2aA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S2A_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 12 TRP A  86
HIS A 117
GLU A 192
TYR A 216
TRP A 227
 None
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.2A)
FFA  A 325 (-3.8A)
 1.49A 1s2aA-2ipjA:
51.3		 1s2aA-2ipjA:
86.60
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 12 HIS A 117
ILE A 163
GLY A 164
VAL A 214
ASP A  12
 FFA  A   3 ( 4.1A)
None
None
None
None
 1.03A 3bwcA-2ipfA:
undetectable		 3bwcA-2ipfA:
23.82
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 12 HIS A 117
ILE A 163
GLY A 164
VAL A 214
ASP A  12
 FFA  A 325 ( 3.8A)
None
None
None
None
 1.02A 3bwcA-2ipjA:
undetectable		 3bwcA-2ipjA:
24.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R43_A_ID8A332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 12 TYR A  55
HIS A 117
MET A 120
ASN A 167
PHE A 311
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
None
 1.22A 3r43A-2ipfA:
50.3		 3r43A-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R43_A_ID8A332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		6 / 12 TYR A  55
TRP A  86
HIS A 117
MET A 120
ASN A 167
TYR A 216
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
NAP  A   1 (-3.5A)
 0.58A 3r43A-2ipfA:
50.3		 3r43A-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R43_A_ID8A332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 12 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TYR A 216
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
 0.12A 3r43A-2ipjA:
51.8		 3r43A-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R58_A_NPSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		6 / 10 TYR A  55
HIS A 117
MET A 120
ASN A 167
PHE A 311
PRO A 318
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
None
None
 1.15A 3r58A-2ipfA:
49.0		 3r58A-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R58_A_NPSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		6 / 10 TYR A  55
HIS A 117
MET A 120
ASN A 167
TYR A 216
PRO A 318
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
NAP  A   1 (-3.5A)
None
 0.53A 3r58A-2ipfA:
49.0		 3r58A-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R58_A_NPSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 10 TYR A  55
HIS A 117
ASN A 167
TYR A 216
PRO A 318
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
None
 0.30A 3r58A-2ipjA:
50.5		 3r58A-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		6 / 12 TYR A  55
TRP A  86
HIS A 117
MET A 120
ASN A 167
TYR A 216
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
NAP  A   1 (-3.5A)
 0.56A 3r6iA-2ipfA:
48.8		 3r6iA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 12 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TYR A 216
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
 0.18A 3r6iA-2ipjA:
50.4		 3r6iA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R8G_A_IZPA409_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 9 TYR A  55
HIS A 117
ASN A 167
PHE A 311
PRO A 318
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
NAP  A   1 (-3.3A)
None
None
 0.90A 3r8gA-2ipfA:
48.9		 3r8gA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R8G_A_IZPA409_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		6 / 9 TYR A  55
HIS A 117
MET A 120
ASN A 167
TYR A 216
PRO A 318
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
NAP  A   1 (-3.5A)
None
 0.49A 3r8gA-2ipfA:
48.9		 3r8gA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R8G_A_IZPA409_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 9 TYR A  55
HIS A 117
ASN A 167
TYR A 216
PRO A 318
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
None
 0.32A 3r8gA-2ipjA:
50.5		 3r8gA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R94_A_FLRA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 12 TYR A  55
HIS A 117
ASN A 167
PHE A 311
PRO A 318
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
NAP  A   1 (-3.3A)
None
None
 0.93A 3r94A-2ipfA:
48.9		 3r94A-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R94_A_FLRA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		6 / 12 TYR A  55
HIS A 117
MET A 120
ASN A 167
TYR A 216
PRO A 318
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
NAP  A   1 (-3.5A)
None
 0.58A 3r94A-2ipfA:
48.9		 3r94A-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R94_A_FLRA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 12 TYR A  55
HIS A 117
ASN A 167
TYR A 216
PRO A 318
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
None
 0.37A 3r94A-2ipjA:
50.2		 3r94A-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UG8_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		7 / 12 TYR A  55
TRP A  86
HIS A 117
MET A 120
ASN A 167
TYR A 216
PRO A 318
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
NAP  A   1 (-3.5A)
None
 0.62A 3ug8A-2ipfA:
49.0		 3ug8A-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UG8_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 12 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TYR A 216
SER A 217
SER A 221
PRO A 318
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
None
None
 0.46A 3ug8A-2ipjA:
50.3		 3ug8A-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UGR_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 12 TRP A  86
HIS A 117
MET A 120
TYR A 216
PHE A 311
 None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.5A)
None
 0.82A 3ugrA-2ipfA:
49.1		 3ugrA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UGR_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 12 HIS A 117
TYR A 216
SER A 217
SER A 221
PHE A 311
 FFA  A 325 ( 3.8A)
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
None
None
 0.82A 3ugrA-2ipjA:
49.9		 3ugrA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UGR_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 12 TRP A  86
HIS A 117
TYR A 216
SER A 217
SER A 221
 None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
None
 0.29A 3ugrA-2ipjA:
49.9		 3ugrA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		6 / 7 TYR A  55
ASN A 167
GLU A 192
GLN A 222
TYR A 305
PRO A 318
 FFA  A   3 ( 4.5A)
NAP  A   1 (-3.3A)
None
NAP  A   1 (-4.7A)
None
None
 0.59A 3ugrA-2ipfA:
49.1		 3ugrA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 7 TYR A  55
ASN A 167
GLU A 192
TYR A 305
PRO A 318
 FFA  A 325 ( 4.3A)
NAP  A   1 (-3.1A)
None
None
None
 0.54A 3ugrA-2ipjA:
49.9		 3ugrA-2ipjA:
86.60
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 11 TYR A 118
GLU A 192
TRP A  86
TYR A  55
GLY A 217
 FFA  A   3 (-4.7A)
None
None
FFA  A   3 ( 4.5A)
NAP  A   1 (-3.3A)
 1.41A 4ey7A-2ipfA:
undetectable		 4ey7A-2ipfA:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ1_A_NPSA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 9 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
FFA  A   3 (-4.0A)
 0.79A 4jq1A-2ipfA:
51.3		 4jq1A-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ1_A_NPSA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 9 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 0.65A 4jq1A-2ipjA:
55.5		 4jq1A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 8 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
FFA  A   3 (-4.0A)
 0.68A 4jq1B-2ipfA:
51.3		 4jq1B-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 8 VAL A  54
TYR A  55
HIS A 117
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 1.49A 4jq1B-2ipjA:
54.5		 4jq1B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 8 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
TRP A 227
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.46A 4jq1B-2ipjA:
54.5		 4jq1B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ2_A_SUZA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 10 VAL A  54
TYR A  55
TRP A  86
HIS A 117
ILE A 129
HIS A 222
GLU A 224
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
NAP  A   1 ( 4.8A)
None
FFA  A 325 (-4.8A)
 0.57A 4jq2A-2ipjA:
55.7		 4jq2A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ2_A_SUZA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 10 VAL A  54
TYR A  55
TRP A  86
HIS A 117
ILE A 129
HIS A 222
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 0.54A 4jq2A-2ipjA:
55.7		 4jq2A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ4_A_IMNA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		7 / 10 VAL A  54
TYR A  55
HIS A 117
VAL A 128
GLU A 224
TRP A 227
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 1.02A 4jq4A-2ipjA:
55.4		 4jq4A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ4_A_IMNA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		7 / 10 VAL A  54
TYR A  55
HIS A 117
VAL A 128
TYR A 216
GLU A 224
TRP A 227
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.2A)
None
FFA  A 325 (-3.8A)
 0.83A 4jq4A-2ipjA:
55.4		 4jq4A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ4_A_IMNA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		7 / 10 VAL A  54
TYR A  55
HIS A 117
VAL A 128
TYR A 216
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.2A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 0.75A 4jq4A-2ipjA:
55.4		 4jq4A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ4_B_IMNB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		6 / 10 TYR A  55
HIS A 117
VAL A 128
ASN A 167
TRP A 227
LEU A 308
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.1A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.86A 4jq4B-2ipjA:
54.1		 4jq4B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ4_B_IMNB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		7 / 10 TYR A  55
HIS A 117
VAL A 128
ILE A 129
ASN A 167
TYR A 216
LEU A 306
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
None
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
FFA  A 325 (-4.8A)
 0.45A 4jq4B-2ipjA:
54.1		 4jq4B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ4_B_IMNB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		7 / 10 TYR A  55
HIS A 117
VAL A 128
ILE A 129
ASN A 167
TYR A 216
TRP A 227
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
None
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
FFA  A 325 (-3.8A)
 0.43A 4jq4B-2ipjA:
54.1		 4jq4B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQA_A_ID8A401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 9 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
FFA  A   3 (-4.0A)
 0.77A 4jqaA-2ipfA:
51.5		 4jqaA-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQA_A_ID8A401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 9 VAL A  54
TYR A  55
HIS A 117
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 1.41A 4jqaA-2ipjA:
55.6		 4jqaA-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQA_A_ID8A401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 9 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
TRP A 227
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.36A 4jqaA-2ipjA:
55.6		 4jqaA-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQA_B_ID8B401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 9 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
FFA  A   3 (-4.0A)
 0.72A 4jqaB-2ipfA:
51.5		 4jqaB-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQA_B_ID8B401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 9 VAL A  54
TYR A  55
HIS A 117
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 1.46A 4jqaB-2ipjA:
55.1		 4jqaB-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQA_B_ID8B401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 9 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
TRP A 227
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.40A 4jqaB-2ipjA:
55.1		 4jqaB-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTQ_A_FLPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 10 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
FFA  A   3 (-4.0A)
 0.80A 4jtqA-2ipfA:
51.5		 4jtqA-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTQ_A_FLPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		9 / 10 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
TRP A 227
LEU A 306
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.17A 4jtqA-2ipjA:
55.8		 4jtqA-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTQ_B_FLPB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 9 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
FFA  A   3 (-4.0A)
 0.73A 4jtqB-2ipfA:
51.9		 4jtqB-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTQ_B_FLPB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 9 VAL A  54
TYR A  55
HIS A 117
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 1.38A 4jtqB-2ipjA:
55.5		 4jtqB-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTQ_B_FLPB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 9 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
TRP A 227
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.23A 4jtqB-2ipjA:
55.5		 4jtqB-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		4 / 8 VAL A  54
TYR A  55
TRP A  86
HIS A 117
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
 0.13A 4jtrA-2ipfA:
51.5		 4jtrA-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 8 VAL A  54
TYR A  55
HIS A 117
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 1.48A 4jtrA-2ipjA:
55.8		 4jtrA-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		7 / 8 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
LEU A 306
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.44A 4jtrA-2ipjA:
55.8		 4jtrA-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTR_B_IZPB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		4 / 6 VAL A  54
TYR A  55
TRP A  86
HIS A 117
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
 0.15A 4jtrB-2ipfA:
51.6		 4jtrB-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTR_B_IZPB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 6 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
 0.18A 4jtrB-2ipjA:
55.2		 4jtrB-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L1W_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		6 / 7 VAL A 128
ILE A 129
HIS A 222
TRP A 227
LEU A 306
LEU A 308
 None
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.72A 4l1wA-2ipjA:
56.1		 4l1wA-2ipjA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 6 VAL A  54
VAL A 128
ILE A 129
TRP A 227
LEU A 308
 FFA  A 325 (-4.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.42A 4l1wB-2ipjA:
56.2		 4l1wB-2ipjA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L1X_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		4 / 8 TYR A  55
VAL A 128
HIS A 222
LEU A 308
 FFA  A 325 ( 4.3A)
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-4.5A)
 0.47A 4l1xA-2ipjA:
56.2		 4l1xA-2ipjA:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L1X_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		4 / 8 TYR A  55
VAL A 128
HIS A 222
TRP A 227
 FFA  A 325 ( 4.3A)
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
 0.76A 4l1xA-2ipjA:
56.2		 4l1xA-2ipjA:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L1X_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		7 / 9 TYR A  55
VAL A 128
ILE A 129
HIS A 222
GLU A 224
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
None
None
NAP  A   1 ( 4.8A)
None
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.82A 4l1xB-2ipjA:
56.3		 4l1xB-2ipjA:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L1X_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		7 / 9 TYR A  55
VAL A 128
ILE A 129
HIS A 222
TRP A 227
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
None
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.83A 4l1xB-2ipjA:
56.3		 4l1xB-2ipjA:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 7 VAL A 128
HIS A 222
TRP A 227
LEU A 306
LEU A 308
 None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.88A 4xo7A-2ipjA:
56.0		 4xo7A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 7 VAL A 128
ILE A 129
HIS A 222
TRP A 227
LEU A 308
 None
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.82A 4xo7A-2ipjA:
56.0		 4xo7A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		6 / 7 VAL A  54
TRP A  86
ILE A 129
HIS A 222
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
None
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 0.83A 4xo7B-2ipjA:
56.3		 4xo7B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVP_A_GBMA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		6 / 11 TYR A  55
HIS A 222
GLU A 224
TRP A 227
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
NAP  A   1 ( 4.8A)
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.81A 4yvpA-2ipjA:
54.4		 4yvpA-2ipjA:
97.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVP_A_GBMA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		8 / 11 TYR A  55
TRP A  86
HIS A 117
ILE A 129
HIS A 222
TRP A 227
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.59A 4yvpA-2ipjA:
54.4		 4yvpA-2ipjA:
97.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVP_B_GBMB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 12 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TRP A 227
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
NAP  A   1 (-3.3A)
FFA  A   3 (-4.0A)
 0.74A 4yvpB-2ipfA:
52.3		 4yvpB-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVP_B_GBMB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		10 / 12 TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
ASN A 167
HIS A 222
TRP A 227
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
NAP  A   1 (-3.1A)
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.62A 4yvpB-2ipjA:
54.7		 4yvpB-2ipjA:
97.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVV_A_GBMA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 9 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TYR A 216
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
NAP  A   1 (-3.3A)
NAP  A   1 (-3.5A)
 0.18A 4yvvA-2ipfA:
50.9		 4yvvA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVV_A_GBMA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		6 / 9 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TYR A 216
TRP A 227
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
FFA  A 325 (-3.8A)
 0.47A 4yvvA-2ipjA:
52.2		 4yvvA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVX_A_GMRA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 12 TYR A  55
TRP A  86
HIS A 117
LEU A 122
ASN A 167
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
 0.26A 4yvxA-2ipfA:
50.5		 4yvxA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVX_B_GMRB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		6 / 12 TYR A  55
TRP A  86
HIS A 117
MET A 120
LEU A 122
ASN A 167
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
None
NAP  A   1 (-3.3A)
 0.41A 4yvxB-2ipfA:
50.2		 4yvxB-2ipfA:
72.41
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.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		4 / 5 VAL A 234
TYR A  55
PRO A  26
THR A  38
 None
FFA  A   3 ( 4.5A)
None
None
 1.24A 4ze1A-2ipfA:
undetectable		 4ze1A-2ipfA:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZFC_A_GCZA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 9 TYR A  55
TRP A  86
HIS A 117
MET A 120
ASN A 167
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
 0.48A 4zfcA-2ipfA:
50.9		 4zfcA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZFC_A_GCZA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 9 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TRP A 227
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
FFA  A 325 (-3.8A)
 0.92A 4zfcA-2ipjA:
52.3		 4zfcA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZFC_B_GCZB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)
(Mus
musculus) 		5 / 9 TYR A  55
TRP A  86
HIS A 117
MET A 120
ASN A 167
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
 0.45A 4zfcB-2ipfA:
50.6		 4zfcB-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZFC_B_GCZB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		5 / 9 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TRP A 227
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
FFA  A 325 (-3.8A)
 0.97A 4zfcB-2ipjA:
52.7		 4zfcB-2ipjA:
86.60