SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qnw'

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
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.
1E7A_B_PFLB4002_1
(SERUM ALBUMIN)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 6 LEU A 226
VAL A 224
VAL A 207
GLN A 251
 None
 1.08A 1e7aB-4qnwA:
undetectable		 1e7aB-4qnwA:
21.46
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.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 5 GLY A 223
PRO A  29
ALA A  28
ILE A  26
 None
FMN  A 401 (-3.7A)
FMN  A 401 (-3.4A)
None
 0.68A 2aofA-4qnwA:
undetectable		 2aofA-4qnwA:
14.32
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.
2HS2_B_017B203_1
(PROTEASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 6 PRO A 333
LEU A  10
ARG A 335
GLY A 339
 None
 1.15A 2hs2B-4qnwA:
undetectable		 2hs2B-4qnwA:
14.86
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.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 12 VAL A  45
ALA A  35
SER A  82
ALA A  88
CYH A 105
 None
 1.10A 2qm9A-4qnwA:
undetectable		 2qm9A-4qnwA:
18.52
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.
3S53_A_017A201_1
(PROTEASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 9 GLY A 218
ALA A 219
ASP A 256
GLY A  17
ILE A 172
 None
 0.98A 3s53A-4qnwA:
undetectable		 3s53A-4qnwA:
15.14
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.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 12 ILE A 103
LEU A  21
GLY A 169
PHE A 167
ILE A  61
 None
 1.02A 3uwlB-4qnwA:
undetectable		 3uwlB-4qnwA:
22.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 7 THR A  31
HIS A 173
ASN A 176
TYR A 178
 FMN  A 401 (-3.9A)
FMN  A 401 (-3.6A)
FMN  A 401 (-4.6A)
None
 0.26A 4a3uA-4qnwA:
48.9		 4a3uA-4qnwA:
38.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 7 THR A  31
HIS A 173
ASN A 176
TYR A 178
 FMN  A 401 (-3.9A)
FMN  A 401 (-3.6A)
FMN  A 401 (-4.6A)
None
 0.19A 4a3uB-4qnwA:
49.0		 4a3uB-4qnwA:
38.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 7 THR A  31
HIS A 173
ASN A 176
TYR A 178
 FMN  A 401 (-3.9A)
FMN  A 401 (-3.6A)
FMN  A 401 (-4.6A)
None
 0.31A 4awuA-4qnwA:
49.1		 4awuA-4qnwA:
41.18
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.
4QVN_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 11 CYH A 151
GLY A 111
THR A 110
ALA A 109
ASP A  66
 None
 1.00A 4qvnH-4qnwA:
undetectable
4qvnI-4qnwA:
undetectable		 4qvnH-4qnwA:
21.12
4qvnI-4qnwA:
21.47
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.
4S0V_A_SUVA2001_2
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 5 ILE A  61
PRO A  29
TYR A 359
VAL A  45
 None
FMN  A 401 (-3.7A)
None
None
 1.31A 4s0vA-4qnwA:
undetectable		 4s0vA-4qnwA:
22.17
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.
5ESK_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 12 GLY A 111
ILE A 214
GLY A 223
PHE A 205
THR A 110
 None
 1.16A 5eskA-4qnwA:
undetectable		 5eskA-4qnwA:
22.02
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.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 12 GLY A 111
ILE A 214
GLY A 223
PHE A 205
THR A 110
 None
 1.12A 5eslA-4qnwA:
undetectable		 5eslA-4qnwA:
21.90
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.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 12 ILE A 103
LEU A  21
GLY A 169
PHE A 167
ILE A  61
 None
 1.03A 5j7wC-4qnwA:
undetectable		 5j7wC-4qnwA:
22.55
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.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 12 ILE A 103
LEU A  21
GLY A 169
PHE A 167
ILE A  61
 None
 1.07A 5j7wD-4qnwA:
undetectable		 5j7wD-4qnwA:
22.55
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.
5UUN_A_ACTA309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 4 LEU A 241
GLY A 236
SER A 230
SER A 227
 None
 1.09A 5uunA-4qnwA:
undetectable		 5uunA-4qnwA:
22.28
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.
5UUN_B_ACTB305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		3 / 3 GLU A  47
TYR A  48
ARG A  52
 None
 0.80A 5uunB-4qnwA:
undetectable		 5uunB-4qnwA:
22.28
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.
5UUN_B_ACTB306_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 4 LEU A 241
GLY A 236
SER A 230
SER A 227
 None
 1.10A 5uunB-4qnwA:
undetectable		 5uunB-4qnwA:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 8 THR A  31
HIS A 173
ASN A 176
TYR A 178
 FMN  A 401 (-3.9A)
FMN  A 401 (-3.6A)
FMN  A 401 (-4.6A)
None
 0.21A 5v4vA-4qnwA:
51.2		 5v4vA-4qnwA:
41.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		4 / 8 THR A  31
HIS A 173
ASN A 176
TYR A 178
 FMN  A 401 (-3.9A)
FMN  A 401 (-3.6A)
FMN  A 401 (-4.6A)
None
 0.22A 5v4vB-4qnwA:
51.2		 5v4vB-4qnwA:
41.20
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.
5Z84_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		3 / 3 TYR A 359
ARG A  52
THR A  30
 None
None
FMN  A 401 (-4.5A)
 0.97A 5z84J-4qnwA:
undetectable		 5z84J-4qnwA:
9.41
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.
6HWD_H_BO2H301_0
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 12 CYH A 151
GLY A 111
THR A 110
ALA A 109
ASP A  66
 None
 1.03A 6hwdH-4qnwA:
undetectable
6hwdI-4qnwA:
undetectable		 6hwdH-4qnwA:
12.21
6hwdI-4qnwA:
11.63
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.
6I0Y_A_TRPA3001_0
(23S RIBOSOMAL RNA
TRYPTOPHANASE OPERON
LEADER PEPTIDE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		3 / 3 TRP A  81
ILE A  67
ASP A  66
 None
 0.80A 6i0y7-4qnwA:
undetectable		 6i0y7-4qnwA:
5.49
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.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 12 ILE A 103
LEU A  21
GLY A 169
PHE A 167
ILE A  61
 None
 1.03A 6qyaB-4qnwA:
undetectable		 6qyaB-4qnwA:
22.55
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.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE
(Aspergillus
fumigatus) 		5 / 12 ILE A 103
LEU A  21
GLY A 169
PHE A 167
ILE A  61
 None
 1.02A 6qyaD-4qnwA:
undetectable		 6qyaD-4qnwA:
22.55