SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1wkk'

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.
2NMZ_B_ROCB401_2
(PROTEASE)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		3 / 3 ARG A  31
VAL A  84
THR A   4
 None
 0.77A 2nmzA-1wkkA:
undetectable		 2nmzA-1wkkA:
23.48
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.
2NNK_A_ROCA401_2
(PROTEASE)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		3 / 3 ARG A  31
VAL A  84
THR A   4
 None
 0.81A 2nnkA-1wkkA:
undetectable		 2nnkA-1wkkA:
22.73
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.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		5 / 12 GLY A  79
GLY A  77
GLY A  29
GLU A  76
VAL A  81
 None
 0.96A 2oxtA-1wkkA:
undetectable		 2oxtA-1wkkA:
18.46
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.
2OXT_C_SAMC300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		5 / 12 GLY A  79
GLY A  77
GLY A  29
GLU A  76
VAL A  81
 None
 0.89A 2oxtC-1wkkA:
undetectable		 2oxtC-1wkkA:
18.46
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.
3HCO_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		5 / 10 MET A  73
LEU A  75
ARG A  24
VAL A  18
GLY A  19
 None
 1.37A 3hcoB-1wkkA:
undetectable		 3hcoB-1wkkA:
17.95
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.
3PWR_A_ROCA401_2
(PROTEASE)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		3 / 3 ARG A  31
VAL A  84
THR A   4
 None
 0.77A 3pwrA-1wkkA:
undetectable		 3pwrA-1wkkA:
23.48
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.
3TL9_A_ROCA401_2
(PROTEASE)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		3 / 3 ARG A  31
VAL A  84
THR A   4
 None
 0.84A 3tl9A-1wkkA:
undetectable		 3tl9A-1wkkA:
23.48
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.
4A97_A_ZPCA1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		4 / 7 ARG A 102
ILE A 114
ASN A 112
GLU A  51
 GDP  A1001 ( 4.7A)
None
GDP  A1001 (-3.9A)
None
 0.99A 4a97E-1wkkA:
undetectable		 4a97E-1wkkA:
18.63
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.
4A97_B_ZPCB1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		5 / 12 ARG A 102
ILE A 114
ASN A 112
GLU A  51
VAL A   6
 GDP  A1001 ( 4.7A)
None
GDP  A1001 (-3.9A)
None
None
 1.39A 4a97A-1wkkA:
1.0
4a97B-1wkkA:
0.9		 4a97A-1wkkA:
18.63
4a97B-1wkkA:
18.63
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.
4F4D_A_CHDA505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1wkk NUCLEOSIDE
DIPHOSPHATE KINASE
(Thermus
thermophilus) 		4 / 7 MET A  73
ILE A 114
ARG A 102
VAL A  80
 None
None
GDP  A1001 ( 4.7A)
None
 1.36A 4f4dA-1wkkA:
undetectable		 4f4dA-1wkkA:
17.95