SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3cav'

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.
1S2A_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 12 TYR A  26
TRP A  89
GLU A 195
TYR A 219
SER A 220
 CI2  A 328 ( 4.0A)
None
None
NAP  A 327 (-3.4A)
NAP  A 327 (-2.9A)
 0.41A 1s2aA-3cavA:
47.4		 1s2aA-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 12 TYR A  26
TRP A  89
MET A 123
TYR A 219
SER A 220
 CI2  A 328 ( 4.0A)
None
None
NAP  A 327 (-3.4A)
NAP  A 327 (-2.9A)
 0.66A 1s2aA-3cavA:
47.4		 1s2aA-3cavA:
55.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XF0_A_ASDA600_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 9 TRP A  89
MET A 123
ASN A 170
TYR A 219
PRO A 321
 None
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
None
 0.49A 1xf0A-3cavA:
47.5		 1xf0A-3cavA:
55.52
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.
1XVA_B_SAMB293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 12 ALA A 255
ASP A 241
ARG A 266
TYR A 199
ILE A 216
 None
 1.44A 1xvaB-3cavA:
0.0		 1xvaB-3cavA:
21.73
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		4 / 8 PRO A 189
LEU A 185
GLY A 184
LYS A 182
 None
 0.91A 1ya4A-3cavA:
undetectable		 1ya4A-3cavA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F38_A_15MA325_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 12 TYR A  26
TRP A  89
MET A 123
ASN A 170
PRO A 321
 CI2  A 328 ( 4.0A)
None
None
NAP  A 327 (-3.6A)
None
 0.47A 2f38A-3cavA:
49.0		 2f38A-3cavA:
55.52
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		4 / 8 THR A 150
PRO A  95
VAL A  94
ALA A 124
 None
 1.04A 2v41G-3cavA:
undetectable
2v41H-3cavA:
undetectable		 2v41G-3cavA:
20.54
2v41H-3cavA:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BUR_A_TESA339_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		8 / 10 TYR A  26
ILE A  57
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
None
NAP  A 327 (-4.6A)
None
None
CI2  A 328 ( 4.9A)
 0.72A 3burA-3cavA:
54.1		 3burA-3cavA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BUR_A_TESA339_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		8 / 10 TYR A  26
ILE A  57
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
None
NAP  A 327 (-4.6A)
None
CI2  A 328 ( 4.9A)
 0.54A 3burA-3cavA:
54.1		 3burA-3cavA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BUR_B_TESB340_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		9 / 10 TYR A  26
ILE A  57
TRP A  89
TYR A 132
THR A 224
SER A 225
ASN A 227
VAL A 231
VAL A 309
 CI2  A 328 ( 4.0A)
None
None
None
None
NAP  A 327 (-4.6A)
None
None
CI2  A 328 ( 4.9A)
 0.56A 3burB-3cavA:
54.9		 3burB-3cavA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CAS_A_ASDA332_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		9 / 10 TYR A  26
TRP A  89
TYR A 132
THR A 224
SER A 225
ASN A 227
VAL A 231
VAL A 309
LEU A 311
 CI2  A 328 ( 4.0A)
None
None
None
NAP  A 327 (-4.6A)
None
None
CI2  A 328 ( 4.9A)
None
 0.58A 3casA-3cavA:
56.3		 3casA-3cavA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CAS_B_ASDB331_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		7 / 9 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.
3CAS_B_ASDB331_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		7 / 9 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3COT_A_STRA1501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		7 / 7 TYR A  26
TYR A  58
GLU A 120
TYR A 132
TRP A 140
TRP A 230
TRP A 314
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
CI2  A 328 (-4.6A)
None
None
CI2  A 328 (-4.2A)
None
 0.49A 3cotA-3cavA:
54.8		 3cotA-3cavA:
94.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3COT_B_STRB1500_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		10 / 10 TYR A  26
TYR A  58
LYS A  87
TRP A  89
GLU A 120
TYR A 132
TRP A 140
TRP A 230
LEU A 311
TRP A 314
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
NAP  A 327 ( 4.6A)
None
CI2  A 328 (-4.6A)
None
None
CI2  A 328 (-4.2A)
None
None
 0.34A 3cotB-3cavA:
55.4		 3cotB-3cavA:
94.22
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.
3ELZ_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		3 / 3 ASN A  92
HIS A  93
VAL A 121
 None
 0.89A 3elzB-3cavA:
undetectable		 3elzB-3cavA:
17.03
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.
3FI0_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		4 / 7 GLY A  22
ILE A  18
VAL A 269
GLN A 193
 None
None
None
NAP  A 327 (-3.8A)
 0.69A 3fi0E-3cavA:
undetectable		 3fi0E-3cavA:
23.51
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.
3FI0_I_TRPI1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		4 / 8 GLY A  22
ILE A  18
VAL A 269
GLN A 193
 None
None
None
NAP  A 327 (-3.8A)
 0.79A 3fi0I-3cavA:
undetectable		 3fi0I-3cavA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1R_B_FITB327_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		11 / 11 TYR A  26
ILE A  57
TYR A  58
TRP A  89
GLU A 120
TYR A 132
ARG A 134
TRP A 140
TRP A 230
MET A 313
TRP A 314
 CI2  A 328 ( 4.0A)
None
CI2  A 328 ( 4.5A)
None
CI2  A 328 (-4.6A)
None
None
None
CI2  A 328 (-4.2A)
CI2  A 328 (-4.0A)
None
 0.33A 3g1rB-3cavA:
55.2		 3g1rB-3cavA:
94.22
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 12 PHE A 275
GLY A  35
ALA A  38
ILE A  52
ILE A 271
 None
None
None
None
NAP  A 327 (-4.9A)
 1.17A 3ld6A-3cavA:
undetectable		 3ld6A-3cavA:
22.71
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.
3MYU_A_VIBA500_1
(HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 10 ASP A  81
ASN A  16
TYR A 113
ASP A 115
ILE A  82
 None
 1.41A 3myuA-3cavA:
0.0		 3myuA-3cavA:
23.20
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		6 / 12 TYR A  26
TYR A  58
TRP A  89
MET A 123
ASN A 170
TYR A 219
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
 0.56A 3r43A-3cavA:
47.4		 3r43A-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 10 TYR A  58
MET A 123
ASN A 170
TYR A 219
PRO A 321
 CI2  A 328 ( 4.5A)
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
None
 0.46A 3r58A-3cavA:
46.2		 3r58A-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		6 / 12 TYR A  26
TYR A  58
TRP A  89
MET A 123
ASN A 170
TYR A 219
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
 0.58A 3r6iA-3cavA:
46.0		 3r6iA-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 9 TYR A  58
MET A 123
ASN A 170
TYR A 219
PRO A 321
 CI2  A 328 ( 4.5A)
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
None
 0.48A 3r8gA-3cavA:
46.1		 3r8gA-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 12 TYR A  58
MET A 123
ASN A 170
TYR A 219
PRO A 321
 CI2  A 328 ( 4.5A)
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
None
 0.53A 3r94A-3cavA:
45.9		 3r94A-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		7 / 12 TYR A  58
TRP A  89
MET A 123
ASN A 170
TYR A 219
SER A 220
PRO A 321
 CI2  A 328 ( 4.5A)
None
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
NAP  A 327 (-2.9A)
None
 0.75A 3ug8A-3cavA:
46.1		 3ug8A-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 12 TYR A  26
TRP A  89
MET A 123
TYR A 219
SER A 220
 CI2  A 328 ( 4.0A)
None
None
NAP  A 327 (-3.4A)
NAP  A 327 (-2.9A)
 0.66A 3ugrA-3cavA:
45.9		 3ugrA-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		4 / 7 TYR A  58
ASN A 170
GLU A 195
PRO A 321
 CI2  A 328 ( 4.5A)
NAP  A 327 (-3.6A)
None
None
 0.69A 3ugrA-3cavA:
45.9		 3ugrA-3cavA:
55.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UZZ_A_TESA501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		6 / 7 TYR A  26
TYR A  58
TYR A 132
TRP A 230
MET A 313
TRP A 314
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
CI2  A 328 (-4.2A)
CI2  A 328 (-4.0A)
None
 0.57A 3uzzA-3cavA:
54.5		 3uzzA-3cavA:
93.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		7 / 8 TYR A  26
TYR A  58
TYR A 132
TRP A 230
LEU A 311
MET A 313
TRP A 314
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
CI2  A 328 (-4.2A)
None
CI2  A 328 (-4.0A)
None
 0.46A 3uzzB-3cavA:
55.4		 3uzzB-3cavA:
93.93
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.
3VW1_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		3 / 3 TYR A  58
MET A 123
LEU A 311
 CI2  A 328 ( 4.5A)
None
None
 0.91A 3vw1D-3cavA:
undetectable		 3vw1D-3cavA:
19.64
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.
4L4F_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		4 / 8 THR A 105
THR A  25
LEU A 109
VAL A  64
 None
 1.15A 4l4fA-3cavA:
undetectable		 4l4fA-3cavA:
22.51
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 8 VAL A 108
LEU A 109
TYR A  84
ILE A  82
THR A  25
 None
 1.37A 4ma7A-3cavA:
undetectable		 4ma7A-3cavA:
15.84
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 12 TYR A  26
TYR A  58
TRP A  89
ASN A 170
LEU A 311
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
NAP  A 327 (-3.6A)
None
 0.51A 4yvpB-3cavA:
49.0		 4yvpB-3cavA:
58.66
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 9 TYR A  26
TYR A  58
TRP A  89
ASN A 170
TYR A 219
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
 0.43A 4yvvA-3cavA:
48.2		 4yvvA-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 12 TYR A  26
TYR A  58
TRP A  89
MET A 123
ASN A 170
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
None
NAP  A 327 (-3.6A)
 0.50A 4yvxB-3cavA:
48.4		 4yvxB-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 9 TYR A  26
TYR A  58
TRP A  89
MET A 123
ASN A 170
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
None
NAP  A 327 (-3.6A)
 0.60A 4zfcA-3cavA:
48.3		 4zfcA-3cavA:
55.52
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)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		5 / 9 TYR A  26
TYR A  58
TRP A  89
MET A 123
ASN A 170
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
None
NAP  A 327 (-3.6A)
 0.55A 4zfcB-3cavA:
48.5		 4zfcB-3cavA:
55.52
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.
5U63_A_ACTA406_0
(THIOREDOXIN
REDUCTASE)		 3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens) 		3 / 3 HIS A 197
SER A 220
ARG A 226
 None
NAP  A 327 (-2.9A)
None
 1.03A 5u63A-3cavA:
undetectable		 5u63A-3cavA:
21.01