PDB ID: 3snb


Macromolecule:
3C-LIKE PROTEINASE
PEPTIDE ALDEHYDE
INHIBITOR AC-DSFDQ-H


Source Organism:
SARSr-CoV


Gene names:
-


UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3snb'

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.


DrReposER ID / Desc. Drug Res.
Matches
View Interface RMSD Seq.
Identity (%)
HETATM Dock
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.
1EIZ_A_SAMA301_1
(FTSJ)
S-Adenosylmethionine3 / 3
ASP A  48
ASP H   4
ASP A  56
1.40A18.15
None
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)
Acarbose4 / 7
HIS A 172
ASP H   4
THR A 169
GLY A 170
1.47A20.36
ECC  H   5 ( 4.8A)
None
None
None
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.
6F3M_B_ADNB502_1
(-)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.32A22.74
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
2VZV_A_GCSA1900_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)
Glucosamine4 / 6
CYH A 145
ASP H   4
MET A  49
TYR A  54
1.75A15.74
ECC  H   5 ( 1.7A)
None
None
None
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.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.31A19.64
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
Rosiglitazone4 / 5
GLY A  23
LEU A  27
ILE A  43
LEU A  89
1.00A20.91
None
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.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)
Vorinostat5 / 12
TYR A 118
GLY A 146
ASP A 187
HIS A  41
ASP H   4
1.42A22.86
None
None
None
ECC  H   5 ( 4.9A)
None
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.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)
Fludarabine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.35A20.16
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.34A21.73
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
6NMP_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
Cholic Acid5 / 9
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.61A20.23
22.78
14.33
None
None
None
None
ECC  H   5 ( 4.4A)
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.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.32A20.56
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
6FBP_B_ADNB404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
Adenosine5 / 12
ASP A  48
ILE A  43
HIS A 164
ASP H   4
ASP A 187
1.74A19.43
None
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.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)
S-Adenosylmethionine5 / 12
LEU A  58
CYH A  44
ARG A  40
ASP A 187
ASP H   4
1.75A22.22
None
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.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)
Celecoxib5 / 6
VAL A 297
LEU A 268
ILE A 200
ALA A 206
LEU A 253
1.74A18.41
None
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.
4LVC_B_ADNB501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.33A19.64
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.29A19.64
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
1V8B_C_ADNC2502_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.33A21.70
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.32A19.64
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.33A20.56
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.33A20.16
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)
Ponatinib5 / 12
THR A 257
LEU A 271
ARG A 279
ALA A 211
ASP A 216
1.39A22.95
None
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.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.31A20.00
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
4QZT_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)
Vitamin A5 / 12
MET A 264
ILE A 259
VAL A 297
LEU A 202
LEU A 250
1.53A19.51
None
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.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)
Bosutinib3 / 3
LEU A 202
LEU A 272
ASN A 231
0.96A21.25
None
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.
5UTU_H_ADNH503_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.33A20.16
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
6GBN_B_ADNB501_1
(-)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.37A21.87
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.31A20.87
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)
Ampicillin5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 205
LEU A 268
1.47A22.90
None
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.
6F3N_A_ADNA505_1
(-)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.30A21.24
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)
Adenosine4 / 8
ASP H   4
LEU A  50
ASP H   1
THR A  45
1.39A2.68
None
None
ACE  H   0 ( 3.7A)
None
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
LEU A  27
GLY A  29
MET A  17
LEU A  86
HIS A 163
1.65A20.86
None
None
None
None
ECC  H   5 ( 3.9A)
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.
4DMG_A_SAMA401_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1493)
S-Adenosylmethionine5 / 12
GLN A 189
ASP H   1
GLU A 166
ALA A 173
ASP A 187
1.78A21.59
None
ACE  H   0 ( 3.7A)
ECC  H   5 ( 4.0A)
None
None
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.
4JX1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)
Camphor5 / 10
PHE A   8
GLY A 149
ASP A 153
ILE A 152
VAL A 157
1.62A20.61
None
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.
5X1B_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
Cholic Acid5 / 11
GLY A 143
MET A  17
GLY A  29
GLN A  19
THR A  21
1.64A14.33
20.23
22.78
ECC  H   5 ( 4.4A)
None
None
None
None
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.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)
Indomethacin4 / 8
SER H   2
ALA A 173
ARG A  40
LEU A  27
0.98A1.09
None
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.
4QVY_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)
Bortezomib5 / 11
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.40A20.13
None
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)
Tiopronin4 / 8
ASP H   4
CYH A 145
ASN A 142
HIS A  41
1.76A7.14
None
ECC  H   5 ( 1.7A)
None
ECC  H   5 ( 4.9A)
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.
2AOJ_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
Amphetamine4 / 5
LEU A  75
ASP A  92
GLY A  79
VAL A  68
1.45A18.02
None
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.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
Vorinostat5 / 12
TYR A 118
GLY A 146
ASP A 187
HIS A  41
ASP H   4
1.47A21.67
None
None
None
ECC  H   5 ( 4.9A)
None
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)
Vorinostat5 / 12
ASP H   4
PHE H   3
PRO A  39
HIS A  41
GLY A 143
1.73A1.16
None
None
None
ECC  H   5 ( 4.9A)
ECC  H   5 ( 4.4A)
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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
PRO A 184
THR A 175
GLY A 174
GLY A 183
HIS A  41
1.56A20.89
None
None
None
None
ECC  H   5 ( 4.9A)
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.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.33A19.64
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
LEU A  27
GLY A 146
PHE A 181
1.51A21.09
ECC  H   5 ( 4.9A)
None
None
None
None
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.
6F3M_A_ADNA502_1
(-)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.31A21.54
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
6GBN_A_ADNA501_1
(-)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.37A21.87
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
4PFJ_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.34A20.09
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
1EJ0_A_SAMA301_1
(FTSJ)
S-Adenosylmethionine3 / 3
ASP A  48
ASP H   4
ASP A  56
1.42A18.15
None
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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
Roflumilast3 / 3
SER H   2
GLN A 189
PHE H   3
1.14A1.50
None
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.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)
Captopril5 / 9
ASP H   4
HIS A 163
GLY A 143
ASN A 142
HIS A  41
1.64A3.91
None
ECC  H   5 ( 3.9A)
ECC  H   5 ( 4.4A)
None
ECC  H   5 ( 4.9A)
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.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
Ceftriaxone5 / 10
HIS A 164
ASP H   4
HIS A  41
THR A 135
HIS A 163
1.39A22.19
None
None
ECC  H   5 ( 4.9A)
None
ECC  H   5 ( 3.9A)
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.
5AXA_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.32A21.28
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
3DOU_A_SAMA1_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)
S-Adenosylmethionine3 / 3
ASP A  48
ASP H   4
ASP A  56
1.41A18.15
None
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.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.31A19.64
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)
Fludarabine5 / 12
HIS A  41
ASP H   4
GLY A 146
HIS A 163
PHE A 181
1.27A20.16
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 3.9A)
None
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)
Vorinostat5 / 12
SER A 147
GLY A 146
ASP A 187
HIS A  41
ASP H   4
1.73A20.98
None
None
None
ECC  H   5 ( 4.9A)
None