SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wi0'

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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		3 / 3 LEU A  91
SER A  61
ASN A  59
 None
 0.63A 1bx4A-4wi0A:
undetectable		 1bx4A-4wi0A:
20.93
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.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)		 4wi0 CELLULOSOMAL
SCAFFOLDIN
(Acetivibrio
cellulolyticus) 		5 / 12 LEU B  93
VAL B 170
ASP B 169
LEU B 159
ASP B 121
 None
None
CA  B 202 (-2.2A)
None
CA  B 201 (-3.3A)
 1.13A 2f8lA-4wi0B:
undetectable		 2f8lA-4wi0B:
16.05
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		3 / 3 ASN A  38
LEU A  91
HIS A  82
 None
 0.69A 2q6fB-4wi0A:
undetectable		 2q6fB-4wi0A:
21.55
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.
3CAS_A_ASDA332_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		5 / 10 TYR A   4
ASN A   8
VAL A  24
VAL A 113
LEU A  68
 None
 1.41A 3casA-4wi0A:
undetectable		 3casA-4wi0A:
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.
3FPJ_A_SAMA301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		4 / 6 TYR A   4
GLY A 111
THR A   6
GLU A  67
 None
 0.97A 3fpjA-4wi0A:
undetectable		 3fpjA-4wi0A:
22.91
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.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
CELLULOSOMAL
SCAFFOLDIN
(Acetivibrio
cellulolyticus;
Acetivibrio
cellulolyticus) 		3 / 3 GLU B 168
PHE A 146
GLN A  36
 None
 0.71A 3r55A-4wi0B:
undetectable		 3r55A-4wi0B:
12.90
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4wi0 CELLULOSOMAL
SCAFFOLDIN
CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		5 / 12 TYR A 149
GLY A 150
ALA B 174
PHE B 177
ALA A  97
 None
 0.99A 3sudB-4wi0A:
undetectable		 3sudB-4wi0A:
21.52
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.
4BB2_B_STRB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		5 / 11 ALA A 114
SER A  65
THR A 144
PHE A 146
ARG A  93
 None
 1.35A 4bb2A-4wi0A:
undetectable
4bb2B-4wi0A:
undetectable		 4bb2A-4wi0A:
17.94
4bb2B-4wi0A:
9.64
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		5 / 12 ILE A  39
GLY A 117
ILE A  20
MET A   7
ILE A  19
 None
 0.94A 4iv0B-4wi0A:
undetectable		 4iv0B-4wi0A:
21.59
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.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		5 / 12 ILE A  39
GLY A 117
ILE A  20
MET A   7
ILE A  19
 None
 0.94A 4mwzA-4wi0A:
undetectable		 4mwzA-4wi0A:
22.27
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
CELLULOSOMAL
SCAFFOLDIN
(Acetivibrio
cellulolyticus;
Acetivibrio
cellulolyticus) 		5 / 12 SER A  94
PHE B 144
ASN A  90
ASP B 169
ILE A  77
 None
None
None
CA  B 202 (-2.2A)
None
 1.50A 6dwnB-4wi0A:
undetectable		 6dwnB-4wi0A:
18.71
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.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		3 / 3 THR A   6
GLU A  67
ASN A   8
 None
 0.91A 6nj9K-4wi0A:
undetectable		 6nj9K-4wi0A:
20.44