SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4heq'

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.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 11 ALA A 139
ILE A   6
LEU A  74
GLY A  89
ALA A  47
 None
 1.09A 1b02A-4heqA:
undetectable		 1b02A-4heqA:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BU5_A_RBFA301_1
(PROTEIN (FLAVODOXIN))		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		7 / 7 THR A  12
ASN A  14
THR A  59
TRP A  60
GLY A  94
ASP A  95
TYR A  98
 FMN  A 201 (-3.2A)
FMN  A 201 (-3.8A)
FMN  A 201 (-3.9A)
FMN  A 201 (-3.9A)
FMN  A 201 (-3.3A)
None
FMN  A 201 (-3.5A)
 0.68A 1bu5A-4heqA:
29.5		 1bu5A-4heqA:
57.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		7 / 8 ASN A  14
THR A  59
TRP A  60
ASP A  62
GLY A  94
ASP A  95
TYR A  98
 FMN  A 201 (-3.8A)
FMN  A 201 (-3.9A)
FMN  A 201 (-3.9A)
None
FMN  A 201 (-3.3A)
None
FMN  A 201 (-3.5A)
 0.85A 1bu5B-4heqA:
29.4		 1bu5B-4heqA:
57.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		7 / 8 THR A  12
ASN A  14
THR A  59
TRP A  60
GLY A  94
ASP A  95
TYR A  98
 FMN  A 201 (-3.2A)
FMN  A 201 (-3.8A)
FMN  A 201 (-3.9A)
FMN  A 201 (-3.9A)
FMN  A 201 (-3.3A)
None
FMN  A 201 (-3.5A)
 0.64A 1bu5B-4heqA:
29.4		 1bu5B-4heqA:
57.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		4 / 8 THR A  59
ASP A  63
GLY A  94
TYR A  98
 FMN  A 201 (-3.9A)
None
FMN  A 201 (-3.3A)
FMN  A 201 (-3.5A)
 0.71A 1bu5B-4heqA:
29.4		 1bu5B-4heqA:
57.14
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.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.01A 1cqeA-4heqA:
undetectable		 1cqeA-4heqA:
13.96
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.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.01A 1cqeB-4heqA:
undetectable		 1cqeB-4heqA:
13.96
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 9 LEU A  55
GLY A  92
VAL A 107
ILE A  65
ILE A 108
 None
 0.99A 1hpvA-4heqA:
undetectable		 1hpvA-4heqA:
19.73
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		3 / 3 ASP A  51
TYR A  50
GLU A  32
 None
 0.77A 1vm1A-4heqA:
undetectable		 1vm1A-4heqA:
22.37
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 LEU A  74
GLY A   9
GLY A  56
LEU A  54
GLY A  89
 None
 1.19A 1y4lA-4heqA:
undetectable		 1y4lA-4heqA:
21.43
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 0.94A 2aylA-4heqA:
undetectable		 2aylA-4heqA:
17.38
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.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.01A 2aylB-4heqA:
undetectable		 2aylB-4heqA:
17.38
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.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 0.99A 3n8wA-4heqA:
undetectable		 3n8wA-4heqA:
17.38
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.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 0.97A 3n8zA-4heqA:
undetectable		 3n8zA-4heqA:
17.38
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.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 0.96A 3n8zB-4heqA:
undetectable		 3n8zB-4heqA:
17.38
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.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		6 / 12 VAL A  53
LEU A   5
LEU A  55
GLY A  45
ALA A  81
LEU A  83
 None
 1.32A 3nt1A-4heqA:
undetectable		 3nt1A-4heqA:
14.61
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.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.06A 3nt1B-4heqA:
undetectable		 3nt1B-4heqA:
14.61
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.
3NU9_A_478A401_2
(PROTEASE)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 10 GLY A 116
ALA A 117
VAL A  53
VAL A  90
VAL A  88
 None
 1.14A 3nu9B-4heqA:
undetectable		 3nu9B-4heqA:
19.33
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.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.04A 3pghA-4heqA:
undetectable		 3pghA-4heqA:
14.61
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.04A 3pghD-4heqA:
undetectable		 3pghD-4heqA:
14.61
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.
4IB4_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A   7
ALA A  19
PHE A  91
LEU A 119
VAL A 120
 None
 1.22A 4ib4A-4heqA:
undetectable		 4ib4A-4heqA:
17.90
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.
4RS0_A_IBPA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 9 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.00A 4rs0A-4heqA:
undetectable		 4rs0A-4heqA:
14.61
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.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 0.98A 5ikrA-4heqA:
undetectable		 5ikrA-4heqA:
14.63
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.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.03A 5ikrB-4heqA:
undetectable		 5ikrB-4heqA:
14.63
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.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4heq FLAVODOXIN
(Desulfovibrio
gigas) 		5 / 12 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.12A 5jvzB-4heqA:
undetectable		 5jvzB-4heqA:
14.83