SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3gry'

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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 11 GLY A  38
GLY A  40
GLU A  59
LEU A  64
ASP A  84
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
 0.81A 1jg3A-3gryA:
10.3		 1jg3A-3gryA:
23.72
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 11 GLY A  38
GLY A  40
GLU A  59
LEU A  64
ASP A  84
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
 0.80A 1jg3B-3gryA:
10.3		 1jg3B-3gryA:
23.72
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.
1JG4_A_SAMA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 8 GLU A  36
GLY A  38
GLU A  59
LEU A  64
ASP A  84
 SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
 0.58A 1jg4A-3gryA:
10.5		 1jg4A-3gryA:
23.72
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.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		4 / 7 VAL A  98
LEU A 124
LEU A  44
VAL A  57
 None
None
SAM  A 300 ( 4.7A)
None
 0.89A 1jgsA-3gryA:
undetectable		 1jgsA-3gryA:
18.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		11 / 12 PHE A  12
GLU A  36
GLY A  38
GLY A  40
ILE A  60
ASP A  61
LEU A  64
ASP A  84
ASN A 101
PRO A 103
ILE A 106
 None
SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
SAM  A 300 ( 4.4A)
 0.92A 1qaoA-3gryA:
23.2		 1qaoA-3gryA:
30.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		10 / 12 PHE A  12
GLU A  36
GLY A  38
GLY A  40
ILE A  60
ASP A  61
LEU A  64
ILE A  58
ASN A 101
PRO A 103
 None
SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
None
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
 1.12A 1qaoA-3gryA:
23.2		 1qaoA-3gryA:
30.77
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  42
ILE A  60
ASP A  61
ASP A  84
PRO A 103
 None
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.7A)
SAM  A 300 (-3.8A)
 0.68A 1sqfA-3gryA:
11.5		 1sqfA-3gryA:
21.23
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.
1U70_A_MTXA187_2
(DIHYDROFOLATE
REDUCTASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		4 / 4 SER A 107
ILE A 110
VAL A  98
THR A  45
 None
 0.89A 1u70A-3gryA:
undetectable		 1u70A-3gryA:
19.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZQ9_A_SAMA4000_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		7 / 12 GLY A  40
LEU A  64
ASP A  84
PRO A 103
ILE A 106
MET A 125
SER A 175
 SAM  A 300 (-3.3A)
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.8A)
SAM  A 300 ( 4.4A)
None
None
 0.91A 1zq9A-3gryA:
28.0		 1zq9A-3gryA:
35.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZQ9_A_SAMA4000_1
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		3 / 3 GLY A  38
GLU A  59
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.6A)
 0.73A 1zq9A-3gryA:
27.1		 1zq9A-3gryA:
35.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		7 / 12 GLY A  38
GLY A  40
LEU A  64
ASP A  84
ASN A 101
ILE A 106
PHE A 167
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 ( 4.4A)
None
 0.82A 1zq9B-3gryA:
27.8		 1zq9B-3gryA:
35.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		7 / 12 GLY A  40
LEU A  64
ASP A  84
ASN A 101
PRO A 103
ILE A 106
PHE A 167
 SAM  A 300 (-3.3A)
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
SAM  A 300 ( 4.4A)
None
 1.09A 1zq9B-3gryA:
27.8		 1zq9B-3gryA:
35.74
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.
2ADM_A_SAMA500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		6 / 11 GLU A  36
GLU A  59
ILE A  60
ASP A  61
ASP A  84
PRO A 103
 SAM  A 300 (-4.4A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.7A)
SAM  A 300 (-3.8A)
 0.40A 2admA-3gryA:
14.4		 2admA-3gryA:
24.53
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.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 11 GLU A  36
GLU A  59
ILE A  60
ASP A  84
PRO A 103
 SAM  A 300 (-4.4A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.8A)
 0.41A 2admB-3gryA:
14.6		 2admB-3gryA:
24.53
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.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		6 / 12 GLY A  38
GLY A  40
LEU A  44
ILE A  60
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.6A)
 0.87A 2nxeA-3gryA:
13.8		 2nxeA-3gryA:
20.83
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.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		6 / 12 GLY A  40
LEU A 124
GLY A  38
LEU A  44
ILE A 110
ASN A 101
 SAM  A 300 (-3.3A)
None
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
None
SAM  A 300 (-3.6A)
 1.26A 2nxeA-3gryA:
13.8		 2nxeA-3gryA:
20.83
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.
2NXE_B_SAMB303_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  38
GLY A  40
ILE A  60
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.6A)
 0.73A 2nxeB-3gryA:
13.8		 2nxeB-3gryA:
20.83
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.
2NXE_B_SAMB303_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  38
GLY A  40
LEU A  44
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
None
SAM  A 300 (-3.6A)
 0.82A 2nxeB-3gryA:
13.8		 2nxeB-3gryA:
20.83
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		6 / 12 GLY A  38
GLY A  40
LEU A  44
ILE A  60
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.6A)
 0.87A 2zbpA-3gryA:
13.5		 2zbpA-3gryA:
20.83
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.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  38
GLY A  40
LEU A  44
ASN A 101
PRO A 103
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
 0.83A 2zulA-3gryA:
12.5		 2zulA-3gryA:
22.66
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.
3A7E_A_SAMA216_1
(CATECHOL
O-METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		4 / 6 GLY A  38
ILE A  58
GLU A  59
ILE A  60
 SAM  A 300 (-3.3A)
None
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
 0.44A 3a7eA-3gryA:
13.5		 3a7eA-3gryA:
21.26
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ILE A  37
GLY A  38
ILE A  60
ASP A  61
ASP A  84
 None
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.7A)
 0.47A 3bwcA-3gryA:
11.9		 3bwcA-3gryA:
20.81
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.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		6 / 12 GLY A  38
GLY A  40
LEU A  44
ILE A  60
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.6A)
 0.85A 3cjtG-3gryA:
13.9		 3cjtG-3gryA:
20.83
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.
3CJT_O_SAMO302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		6 / 12 GLY A  38
GLY A  40
LEU A  44
ILE A  60
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.6A)
 0.82A 3cjtO-3gryA:
13.8		 3cjtO-3gryA:
20.83
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  38
GLY A  40
LEU A  44
ASN A 101
PRO A 103
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
 0.77A 3dmhA-3gryA:
11.4		 3dmhA-3gryA:
22.60
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.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 11 GLU A  36
GLY A  38
GLY A  40
ASP A  84
ALA A  85
 SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 0.73A 3dxyA-3gryA:
11.0		 3dxyA-3gryA:
19.67
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.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		6 / 11 GLU A  36
GLY A  38
ILE A  58
GLU A  59
ASP A  84
ALA A  85
 SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
None
SAM  A 300 (-2.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 0.48A 3dxyA-3gryA:
11.0		 3dxyA-3gryA:
19.67
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.
3FUU_A_ADNA0_1
(DIMETHYLADENOSINE
TRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		8 / 12 GLY A  38
GLY A  40
GLU A  59
ASP A  61
ASP A  84
ALA A  85
PRO A 103
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
None
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
SAM  A 300 ( 4.4A)
 0.55A 3fuuA-3gryA:
26.7		 3fuuA-3gryA:
29.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		11 / 11 GLY A  38
GLY A  40
GLU A  59
ILE A  60
ASP A  61
LEU A  64
ASP A  84
ALA A  85
ASN A 101
PRO A 103
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
SAM  A 300 ( 4.4A)
 0.27A 3grvA-3gryA:
40.7		 3grvA-3gryA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		12 / 12 LEU A  13
GLU A  36
GLY A  38
GLY A  40
GLU A  59
ILE A  60
ASP A  61
LEU A  64
ASP A  84
ALA A  85
ASN A 101
PRO A 103
 SAM  A 300 (-4.0A)
SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
 0.00A 3gryA-3gryA:
43.4		 3gryA-3gryA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		8 / 12 LEU A  44
GLY A  40
GLU A  59
ILE A  60
ASP A  61
LEU A  64
ASP A  84
PRO A 103
 SAM  A 300 ( 4.7A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.8A)
 1.42A 3gryA-3gryA:
43.4		 3gryA-3gryA:
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.
3ID5_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 11 GLY A  38
THR A  45
GLU A  59
ASP A  84
ALA A  85
 SAM  A 300 (-3.3A)
None
SAM  A 300 (-2.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 1.29A 3id5B-3gryA:
13.9		 3id5B-3gryA:
25.73
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.
3ID5_F_SAMF301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 11 GLY A  38
THR A  45
GLU A  59
ASP A  84
ALA A  85
 SAM  A 300 (-3.3A)
None
SAM  A 300 (-2.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 1.29A 3id5F-3gryA:
13.9		 3id5F-3gryA:
25.73
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.
3OHT_A_1N1A1000_2
(P38A)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		3 / 3 GLU A  36
LEU A  48
LEU A  74
 SAM  A 300 (-4.4A)
None
None
 0.59A 3ohtA-3gryA:
undetectable		 3ohtA-3gryA:
22.68
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.
3OHT_B_1N1B1000_2
(P38A)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		3 / 3 GLU A  36
LEU A  48
LEU A  74
 SAM  A 300 (-4.4A)
None
None
 0.62A 3ohtB-3gryA:
undetectable		 3ohtB-3gryA:
22.68
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.
3TM4_B_SAMB401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 LEU A  13
GLY A  40
ALA A  85
ASN A 101
PRO A 103
 SAM  A 300 (-4.0A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
 1.15A 3tm4B-3gryA:
15.7		 3tm4B-3gryA:
22.76
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.
3WSJ_A_MK1A201_2
(PROTEASE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  71
ALA A  49
VAL A  33
ILE A  78
 None
 0.94A 3wsjB-3gryA:
undetectable		 3wsjB-3gryA:
14.86
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.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 LEU A  13
GLY A  38
GLY A  40
ASN A 101
PRO A 103
 SAM  A 300 (-4.0A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
 0.89A 4gc9A-3gryA:
25.9		 4gc9A-3gryA:
28.16
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.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		3 / 3 GLU A  59
ASP A  61
ASP A  84
 SAM  A 300 (-2.8A)
None
SAM  A 300 (-3.7A)
 0.28A 4gc9A-3gryA:
25.9		 4gc9A-3gryA:
28.16
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_A_SAMA900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  38
GLY A  40
ASP A  84
ALA A  85
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 ( 4.4A)
 0.80A 4krhA-3gryA:
13.5		 4krhA-3gryA:
23.39
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.
5ERG_B_SAMB401_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		4 / 7 GLY A  38
GLY A  40
GLU A  59
ASP A  84
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.7A)
 0.66A 5ergB-3gryA:
14.5		 5ergB-3gryA:
20.76
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.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  84
ALA A  85
PRO A 103
GLY A  40
GLU A  59
 SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
 1.17A 5hfjA-3gryA:
3.6		 5hfjA-3gryA:
22.85
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.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		3 / 3 TYR A 143
TYR A 187
GLN A 151
 None
 1.08A 5jsdA-3gryA:
undetectable
5jsdB-3gryA:
undetectable		 5jsdA-3gryA:
21.02
5jsdB-3gryA:
21.02
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.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		3 / 3 TYR A 143
TYR A 187
GLN A 151
 None
 1.07A 5jsdB-3gryA:
undetectable
5jsdC-3gryA:
undetectable		 5jsdB-3gryA:
21.02
5jsdC-3gryA:
21.02
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.
5MVS_A_ADNA401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		4 / 7 GLY A  38
GLU A  59
ASP A  84
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 0.63A 5mvsA-3gryA:
3.7		 5mvsA-3gryA:
26.60
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.
5MVS_B_ADNB401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		4 / 8 GLY A  38
GLU A  59
ASP A  84
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 0.62A 5mvsB-3gryA:
11.9		 5mvsB-3gryA:
26.60
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.
5OG9_A_TESA503_1
(-)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 9 LEU A  90
VAL A  98
LEU A  35
ILE A 106
ALA A 100
 None
None
None
SAM  A 300 ( 4.4A)
None
 1.11A 5og9A-3gryA:
undetectable		 5og9A-3gryA:
20.89
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.
5OG9_B_TESB502_1
(-)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 LEU A  90
VAL A  98
LEU A  35
ILE A 106
ALA A 100
 None
None
None
SAM  A 300 ( 4.4A)
None
 1.13A 5og9B-3gryA:
undetectable		 5og9B-3gryA:
20.89
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		4 / 6 ASN A 260
ARG A 267
ILE A 242
GLU A 241
 None
 1.00A 5uigA-3gryA:
undetectable		 5uigA-3gryA:
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.
5VEU_B_RITB602_1
(CYTOCHROME P450 3A5)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 LEU A  44
PHE A 167
ALA A 166
ALA A 160
ILE A 158
 SAM  A 300 ( 4.7A)
None
None
None
None
 0.93A 5veuB-3gryA:
1.3		 5veuB-3gryA:
20.90
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  38
ILE A  60
ASP A  61
ASP A  84
ALA A  85
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 0.58A 6bq4A-3gryA:
11.8		 6bq4A-3gryA:
12.24
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  38
ILE A  60
ASP A  61
ASP A  84
ALA A  85
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 0.58A 6bq4B-3gryA:
11.9		 6bq4B-3gryA:
12.24
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.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 10 GLY A  38
GLY A  40
GLU A  59
ASP A  61
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
None
SAM  A 300 ( 4.4A)
 1.03A 6exiA-3gryA:
3.6		 6exiA-3gryA:
15.66
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.
6EXI_B_ADNB503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 10 GLY A  38
GLY A  40
GLU A  59
ASP A  61
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
None
SAM  A 300 ( 4.4A)
 1.04A 6exiB-3gryA:
3.9		 6exiB-3gryA:
15.66
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.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  38
GLY A  40
GLU A  59
ASP A  61
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
None
SAM  A 300 ( 4.4A)
 1.03A 6exiC-3gryA:
3.7
6exiD-3gryA:
3.2		 6exiC-3gryA:
15.66
6exiD-3gryA:
15.66
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.
6EXI_D_ADND503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  38
GLY A  40
GLU A  59
ASP A  61
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
None
SAM  A 300 ( 4.4A)
 1.04A 6exiC-3gryA:
3.7
6exiD-3gryA:
3.6		 6exiC-3gryA:
15.66
6exiD-3gryA:
15.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		9 / 12 PHE A  12
GLU A  36
ILE A  37
GLY A  38
GLY A  40
ILE A  60
ASP A  61
LEU A  64
PRO A 103
 None
SAM  A 300 (-4.4A)
None
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
SAM  A 300 (-3.8A)
 0.53A 6iftA-3gryA:
28.5		 6iftA-3gryA:
36.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 3gry DIMETHYLADENOSINE
TRANSFERASE
(Methanocaldococc
us
jannaschii) 		9 / 12 PHE A  12
LEU A  13
GLU A  36
ILE A  37
GLY A  38
GLY A  40
ILE A  60
ASP A  61
LEU A  64
 None
SAM  A 300 (-4.0A)
SAM  A 300 (-4.4A)
None
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
 0.53A 6iftA-3gryA:
28.5		 6iftA-3gryA:
36.75