SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HBA'


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.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		5 / 9 THR A  25
TYR A  65
HIS A 178
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.22A 1h60A-4jipA:
56.8		 1h60A-4jipA:
49.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 4tmc OLD YELLOW ENZYME
(Kluyveromyces
marxianus) 		5 / 9 THR A  37
TYR A  82
HIS A 191
TYR A 196
TYR A 375
 FMN  A 501 ( 3.7A)
None
FMN  A 501 ( 3.7A)
HBA  A 502 (-4.5A)
FMN  A 501 ( 4.0A)
 0.87A 1h60A-4tmcA:
48.9		 1h60A-4tmcA:
39.95
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.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		5 / 9 THR A  37
TYR A  82
HIS A 191
TYR A 196
TYR A 375
 HBA  A 402 ( 3.9A)
None
FMN  A 401 ( 3.5A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.4A)
 0.80A 1h60A-5v4pA:
49.1		 1h60A-5v4pA:
10.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		5 / 9 THR A  25
TYR A  65
HIS A 178
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.22A 2abaA-4jipA:
57.0		 2abaA-4jipA:
49.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 4tmc OLD YELLOW ENZYME
(Kluyveromyces
marxianus) 		5 / 9 THR A  37
TYR A  82
HIS A 191
TYR A 196
TYR A 375
 FMN  A 501 ( 3.7A)
None
FMN  A 501 ( 3.7A)
HBA  A 502 (-4.5A)
FMN  A 501 ( 4.0A)
 0.84A 2abaA-4tmcA:
48.9		 2abaA-4tmcA:
39.95
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.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		5 / 9 THR A  37
TYR A  82
HIS A 191
TYR A 196
TYR A 375
 HBA  A 402 ( 3.9A)
None
FMN  A 401 ( 3.5A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.4A)
 0.77A 2abaA-5v4pA:
49.2		 2abaA-5v4pA:
10.99
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.
2BR4_E_SAME301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5e4m HYDROXYNITRILE LYASE
(Davallia
tyermannii) 		3 / 3 SER A 119
ASP A  85
CYH A  73
 HBA  A 201 ( 4.1A)
None
HBA  A 201 ( 4.4A)
 1.13A 2br4E-5e4mA:
undetectable		 2br4E-5e4mA:
25.20
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.
2WEK_A_DIFA1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2vq5 S-NORCOCLAURINE
SYNTHASE
(Thalictrum
flavum) 		4 / 5 TYR A 108
MET A 183
PRO A 179
LEU A  72
 None
HBA  A1203 (-2.9A)
None
None
 1.19A 2wekA-2vq5A:
0.0		 2wekA-2vq5A:
21.80
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2vq5 S-NORCOCLAURINE
SYNTHASE
(Thalictrum
flavum) 		4 / 6 TYR A 108
MET A 183
PRO A 179
LEU A  72
 None
HBA  A1203 (-2.9A)
None
None
 1.17A 2wekB-2vq5A:
undetectable		 2wekB-2vq5A:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)		 4tmc OLD YELLOW ENZYME
(Kluyveromyces
marxianus) 		5 / 9 THR A  37
HIS A 191
TYR A 196
PHE A 250
TYR A 375
 FMN  A 501 ( 3.7A)
FMN  A 501 ( 3.7A)
HBA  A 502 (-4.5A)
None
FMN  A 501 ( 4.0A)
 0.34A 3upwA-4tmcA:
58.4		 3upwA-4tmcA:
42.79
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.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		5 / 9 THR A  37
HIS A 191
TYR A 196
PHE A 250
TYR A 375
 HBA  A 402 ( 3.9A)
FMN  A 401 ( 3.5A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.8A)
HBA  A 402 ( 4.4A)
 0.36A 3upwA-5v4pA:
58.7		 3upwA-5v4pA:
undetectable
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.
3WFA_B_EDTB802_0
(ALPHA-GLUCOSIDASE)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		4 / 6 TYR A 375
ARG A  40
ASP A 370
TYR A 382
 HBA  A 402 ( 4.4A)
None
None
None
 1.17A 3wfaA-5v4pA:
7.9
3wfaB-5v4pA:
2.6		 3wfaA-5v4pA:
undetectable
3wfaB-5v4pA:
undetectable
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)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		6 / 7 THR A  25
TRP A  99
HIS A 178
ASN A 181
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 ( 3.8A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.42A 4a3uA-4jipA:
55.0		 4a3uA-4jipA:
43.09
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)		 4tmc OLD YELLOW ENZYME
(Kluyveromyces
marxianus) 		6 / 7 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
TYR A 375
 FMN  A 501 ( 3.7A)
HBA  A 502 (-4.3A)
FMN  A 501 ( 3.7A)
HBA  A 502 ( 3.6A)
HBA  A 502 (-4.5A)
FMN  A 501 ( 4.0A)
 0.28A 4a3uA-4tmcA:
48.4		 4a3uA-4tmcA:
36.61
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.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		6 / 7 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
TYR A 375
 HBA  A 402 ( 3.9A)
HBA  A 402 ( 4.8A)
FMN  A 401 ( 3.5A)
HBA  A 402 ( 3.7A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.4A)
 0.37A 4a3uA-5v4pA:
48.6		 4a3uA-5v4pA:
undetectable
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)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		6 / 7 THR A  25
TRP A  99
HIS A 178
ASN A 181
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 ( 3.8A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.42A 4a3uB-4jipA:
55.1		 4a3uB-4jipA:
43.09
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)		 4tmc OLD YELLOW ENZYME
(Kluyveromyces
marxianus) 		6 / 7 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
TYR A 375
 FMN  A 501 ( 3.7A)
HBA  A 502 (-4.3A)
FMN  A 501 ( 3.7A)
HBA  A 502 ( 3.6A)
HBA  A 502 (-4.5A)
FMN  A 501 ( 4.0A)
 0.27A 4a3uB-4tmcA:
48.5		 4a3uB-4tmcA:
36.61
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.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		6 / 7 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
TYR A 375
 HBA  A 402 ( 3.9A)
HBA  A 402 ( 4.8A)
FMN  A 401 ( 3.5A)
HBA  A 402 ( 3.7A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.4A)
 0.35A 4a3uB-5v4pA:
48.7		 4a3uB-5v4pA:
undetectable
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)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		5 / 7 THR A  25
TRP A  99
HIS A 178
ASN A 181
TYR A 183
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 ( 3.8A)
HBA  A 402 (-4.3A)
 0.21A 4awuA-4jipA:
56.7		 4awuA-4jipA:
45.74
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)		 4tmc OLD YELLOW ENZYME
(Kluyveromyces
marxianus) 		5 / 7 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
 FMN  A 501 ( 3.7A)
HBA  A 502 (-4.3A)
FMN  A 501 ( 3.7A)
HBA  A 502 ( 3.6A)
HBA  A 502 (-4.5A)
 0.36A 4awuA-4tmcA:
49.0		 4awuA-4tmcA:
37.10
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		5 / 7 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
 HBA  A 402 ( 3.9A)
HBA  A 402 ( 4.8A)
FMN  A 401 ( 3.5A)
HBA  A 402 ( 3.7A)
HBA  A 402 (-4.2A)
 0.34A 4awuA-5v4pA:
49.2		 4awuA-5v4pA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		5 / 6 THR A  25
TYR A  65
HIS A 178
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.77A 4df2A-4jipA:
46.7		 4df2A-4jipA:
34.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 4tmc OLD YELLOW ENZYME
(Kluyveromyces
marxianus) 		4 / 6 THR A  37
HIS A 191
TYR A 196
TYR A 375
 FMN  A 501 ( 3.7A)
FMN  A 501 ( 3.7A)
HBA  A 502 (-4.5A)
FMN  A 501 ( 4.0A)
 0.21A 4df2A-4tmcA:
58.3		 4df2A-4tmcA:
42.79
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		4 / 6 THR A  37
HIS A 191
TYR A 196
TYR A 375
 HBA  A 402 ( 3.9A)
FMN  A 401 ( 3.5A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.4A)
 0.34A 4df2A-5v4pA:
58.8		 4df2A-5v4pA:
undetectable
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.
4Z2E_H_TR6H101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 5e4m HYDROXYNITRILE LYASE
(Davallia
tyermannii) 		3 / 5 GLY A 133
GLY A 131
GLU A 128
 None
HBA  A 202 ( 4.2A)
None
 0.48A 4z2eA-5e4mA:
undetectable
4z2eD-5e4mA:
undetectable		 4z2eA-5e4mA:
17.53
4z2eD-5e4mA:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E4D_A_BEZA201_0
(HYDROXYNITRILE LYASE)		 5e4m HYDROXYNITRILE LYASE
(Davallia
tyermannii) 		7 / 9 VAL A  48
VAL A  51
TYR A 101
ILE A 108
PHE A 111
TYR A 117
TRP A 138
 None
None
HBA  A 201 (-4.6A)
None
HBA  A 201 (-3.5A)
HBA  A 201 (-4.6A)
HBA  A 201 ( 4.8A)
 1.45A 5e4dA-5e4mA:
31.8		 5e4dA-5e4mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E4D_A_BEZA201_0
(HYDROXYNITRILE LYASE)		 5e4m HYDROXYNITRILE LYASE
(Davallia
tyermannii) 		9 / 9 VAL A  48
VAL A  52
PHE A  71
TYR A 101
ILE A 108
PHE A 111
TYR A 117
TRP A 138
LEU A 160
 None
None
HBA  A 201 ( 4.8A)
HBA  A 201 (-4.6A)
None
HBA  A 201 (-3.5A)
HBA  A 201 (-4.6A)
HBA  A 201 ( 4.8A)
HBA  A 201 ( 4.5A)
 0.47A 5e4dA-5e4mA:
31.8		 5e4dA-5e4mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E4D_A_BEZA201_0
(HYDROXYNITRILE LYASE)		 5e4m HYDROXYNITRILE LYASE
(Davallia
tyermannii) 		5 / 9 VAL A  51
PHE A  71
PHE A 111
TYR A 117
LEU A 160
 None
HBA  A 201 ( 4.8A)
HBA  A 201 (-3.5A)
HBA  A 201 (-4.6A)
HBA  A 201 ( 4.5A)
 1.49A 5e4dA-5e4mA:
31.8		 5e4dA-5e4mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E4D_B_BEZB201_0
(HYDROXYNITRILE LYASE)		 5e4m HYDROXYNITRILE LYASE
(Davallia
tyermannii) 		8 / 11 VAL A  48
VAL A  51
TYR A 101
ILE A 103
ILE A 108
PHE A 111
TYR A 117
TRP A 138
 None
None
HBA  A 201 (-4.6A)
None
None
HBA  A 201 (-3.5A)
HBA  A 201 (-4.6A)
HBA  A 201 ( 4.8A)
 1.41A 5e4dB-5e4mA:
31.2		 5e4dB-5e4mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E4D_B_BEZB201_0
(HYDROXYNITRILE LYASE)		 5e4m HYDROXYNITRILE LYASE
(Davallia
tyermannii) 		11 / 11 VAL A  48
VAL A  51
VAL A  52
PHE A  71
TYR A 101
ILE A 103
ILE A 108
PHE A 111
TYR A 117
TRP A 138
LEU A 160
 None
None
None
HBA  A 201 ( 4.8A)
HBA  A 201 (-4.6A)
None
None
HBA  A 201 (-3.5A)
HBA  A 201 (-4.6A)
HBA  A 201 ( 4.8A)
HBA  A 201 ( 4.5A)
 0.43A 5e4dB-5e4mA:
31.2		 5e4dB-5e4mA:
100.00
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.
5ESF_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2vq5 S-NORCOCLAURINE
SYNTHASE
(Thalictrum
flavum) 		4 / 8 ILE A 143
TYR A  63
PHE A 112
LEU A  72
 None
HBA  A1203 (-4.7A)
HBA  A1203 (-4.6A)
None
 0.89A 5esfA-2vq5A:
undetectable		 5esfA-2vq5A:
16.48
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.
5FUQ_A_ACTA1278_0
(NAD(P)H
DEHYDROGENASE
[QUINONE] 1)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		4 / 5 HIS A 100
GLN A 187
ILE A 104
TYR A 183
 None
None
None
HBA  A 402 (-4.3A)
 1.50A 5fuqA-4jipA:
1.0
5fuqB-4jipA:
undetectable		 5fuqA-4jipA:
21.90
5fuqB-4jipA:
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 5e4m HYDROXYNITRILE LYASE
(Davallia
tyermannii) 		4 / 8 GLN A  64
ALA A  94
GLN A  98
HIS A  91
 None
None
HBA  A 203 (-4.1A)
HBA  A 203 (-3.4A)
 1.07A 5km8A-5e4mA:
undetectable
5km8B-5e4mA:
undetectable		 5km8A-5e4mA:
20.20
5km8B-5e4mA:
20.20
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)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		6 / 8 THR A  25
TRP A  99
HIS A 178
ASN A 181
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 ( 3.8A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.49A 5v4vA-4jipA:
49.3		 5v4vA-4jipA:
39.37
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)		 4tmc OLD YELLOW ENZYME
(Kluyveromyces
marxianus) 		8 / 8 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
PHE A 250
PRO A 295
TYR A 375
 FMN  A 501 ( 3.7A)
HBA  A 502 (-4.3A)
FMN  A 501 ( 3.7A)
HBA  A 502 ( 3.6A)
HBA  A 502 (-4.5A)
None
None
FMN  A 501 ( 4.0A)
 0.34A 5v4vA-4tmcA:
71.3		 5v4vA-4tmcA:
67.25
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.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		8 / 8 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
PHE A 250
PRO A 295
TYR A 375
 HBA  A 402 ( 3.9A)
HBA  A 402 ( 4.8A)
FMN  A 401 ( 3.5A)
HBA  A 402 ( 3.7A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.8A)
None
HBA  A 402 ( 4.4A)
 0.16A 5v4vA-5v4pA:
75.5		 5v4vA-5v4pA:
undetectable
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)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		6 / 8 THR A  25
TRP A  99
HIS A 178
ASN A 181
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 ( 3.8A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.47A 5v4vB-4jipA:
49.3		 5v4vB-4jipA:
39.37
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)		 4tmc OLD YELLOW ENZYME
(Kluyveromyces
marxianus) 		8 / 8 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
PHE A 250
PRO A 295
TYR A 375
 FMN  A 501 ( 3.7A)
HBA  A 502 (-4.3A)
FMN  A 501 ( 3.7A)
HBA  A 502 ( 3.6A)
HBA  A 502 (-4.5A)
None
None
FMN  A 501 ( 4.0A)
 0.35A 5v4vB-4tmcA:
71.3		 5v4vB-4tmcA:
67.25
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.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 5v4p NADPH DEHYDROGENASE
3
(Saccharomyces
cerevisiae) 		8 / 8 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
PHE A 250
PRO A 295
TYR A 375
 HBA  A 402 ( 3.9A)
HBA  A 402 ( 4.8A)
FMN  A 401 ( 3.5A)
HBA  A 402 ( 3.7A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.8A)
None
HBA  A 402 ( 4.4A)
 0.17A 5v4vB-5v4pA:
75.4		 5v4vB-5v4pA:
undetectable
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.
5W7B_A_PA1A206_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		 4jip GTN REDUCTASE
(Agrobacterium
tumefaciens) 		4 / 4 TYR A 183
GLY A 272
ASN A 306
ARG A 230
 HBA  A 402 (-4.3A)
FMN  A 401 ( 4.0A)
FMN  A 401 (-4.4A)
FMN  A 401 (-3.0A)
 1.11A 5w7bA-4jipA:
undetectable
5w7bC-4jipA:
3.2		 5w7bA-4jipA:
10.17
5w7bC-4jipA:
9.87
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.
5WAU_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2vq5 S-NORCOCLAURINE
SYNTHASE
(Thalictrum
flavum) 		4 / 5 TYR A 108
MET A  97
THR A  98
LEU A  83
 None
HBA  A1203 (-3.4A)
None
None
 1.29A 5wauJ-2vq5A:
undetectable		 5wauJ-2vq5A:
14.89
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.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2vq5 S-NORCOCLAURINE
SYNTHASE
(Thalictrum
flavum) 		4 / 5 TYR A 108
MET A  97
THR A  98
LEU A  83
 None
HBA  A1203 (-3.4A)
None
None
 1.31A 5x19J-2vq5A:
undetectable		 5x19J-2vq5A:
14.89
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_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2vq5 S-NORCOCLAURINE
SYNTHASE
(Thalictrum
flavum) 		4 / 5 TYR A 108
MET A  97
THR A  98
LEU A  83
 None
HBA  A1203 (-3.4A)
None
None
 1.27A 5x1bJ-2vq5A:
undetectable		 5x1bJ-2vq5A:
14.89
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_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2vq5 S-NORCOCLAURINE
SYNTHASE
(Thalictrum
flavum) 		4 / 5 TYR A 108
MET A  97
THR A  98
LEU A  83
 None
HBA  A1203 (-3.4A)
None
None
 1.28A 5x1bW-2vq5A:
undetectable		 5x1bW-2vq5A:
14.89
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.
5X1F_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2vq5 S-NORCOCLAURINE
SYNTHASE
(Thalictrum
flavum) 		4 / 5 TYR A 108
MET A  97
THR A  98
LEU A  83
 None
HBA  A1203 (-3.4A)
None
None
 1.29A 5x1fW-2vq5A:
undetectable		 5x1fW-2vq5A:
14.89