SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ock'

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))		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		5 / 11 ALA A 132
LEU A  67
LEU A  49
GLY A 120
ALA A  76
 None
 1.01A 1b02A-2ockA:
undetectable		 1b02A-2ockA:
20.00
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.
1GMK_A_DVAA6_0
(GRAMICIDIN A)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		3 / 3 ALA A 235
VAL A 222
TRP A 145
 None
 0.81A 1gmkA-2ockA:
undetectable
1gmkB-2ockA:
undetectable		 1gmkA-2ockA:
6.82
1gmkB-2ockA:
6.82
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.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		3 / 3 ALA A 235
VAL A 222
TRP A 145
 None
 0.79A 1gmkC-2ockA:
undetectable
1gmkD-2ockA:
undetectable		 1gmkC-2ockA:
6.82
1gmkD-2ockA:
6.82
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.
2Q6H_A_CXXA802_1
(TRANSPORTER)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		4 / 7 ARG A 197
PHE A 199
ILE A 196
PHE A  97
 None
 1.07A 2q6hA-2ockA:
undetectable		 2q6hA-2ockA:
19.15
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.
2ZM9_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		4 / 8 ALA A 147
HIS A 234
GLY A 125
ILE A 126
 None
 0.86A 2zm9A-2ockA:
undetectable		 2zm9A-2ockA:
21.82
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.
3BSZ_E_RTLE177_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		5 / 11 LEU A  47
ALA A 101
ALA A 104
VAL A  75
LEU A 111
 None
 1.11A 3bszE-2ockA:
undetectable		 3bszE-2ockA:
21.79
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.
3Q5S_A_ACHA1289_0
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		4 / 6 VAL A 151
ASN A 206
TYR A 159
ILE A 126
 None
 1.09A 3q5sA-2ockA:
undetectable		 3q5sA-2ockA:
18.79
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.
3R9T_B_BEZB264_0
(ECHA1_1)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		4 / 7 LEU A 212
ALA A 132
ALA A 133
MET A 142
 None
 0.75A 3r9tB-2ockA:
2.0		 3r9tB-2ockA:
21.35
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		5 / 12 PHE A 185
GLY A  51
GLY A  54
LEU A  49
ILE A 126
 None
 0.98A 4krhB-2ockA:
2.9		 4krhB-2ockA:
20.09
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)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		4 / 4 TYR A 184
GLY A  51
ASN A 123
ARG A  90
 None
 1.33A 5w7bA-2ockA:
undetectable
5w7bC-2ockA:
3.5		 5w7bA-2ockA:
13.93
5w7bC-2ockA:
17.07
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.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		5 / 9 LEU A 212
VAL A 215
VAL A 242
ILE A 221
ILE A 144
 None
 1.25A 5yf9X-2ockA:
undetectable		 5yf9X-2ockA:
16.97
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.
6C2M_D_SUED1202_1
(NS3 PROTEASE)		 2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens) 		4 / 9 VAL A 230
ASP A 227
LEU A 129
VAL A 143
 None
 0.98A 6c2mD-2ockA:
undetectable		 6c2mD-2ockA:
14.72