SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CI2'


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.
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
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
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
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
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