SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ug7'

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.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ILE A 156
ALA A  45
LEU A 332
THR A  16
ILE A  29
 None
 1.06A 1cd2A-3ug7A:
undetectable		 1cd2A-3ug7A:
20.45
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.
2CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ILE A 156
ALA A  45
LEU A 332
THR A  16
ILE A  29
 None
 1.03A 2cd2A-3ug7A:
2.5		 2cd2A-3ug7A:
20.45
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.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 11 VAL A 243
TYR A 333
ARG A 241
ILE A  29
THR A  46
 None
 1.43A 2f9wA-3ug7A:
undetectable
2f9wB-3ug7A:
undetectable		 2f9wA-3ug7A:
21.91
2f9wB-3ug7A:
21.91
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 7 PHE A 240
SER A  67
THR A 165
GLY A  32
 None
MG  A 403 ( 4.4A)
None
None
 0.95A 2v0mB-3ug7A:
undetectable		 2v0mB-3ug7A:
22.13
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.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 7 VAL A  58
TYR A  90
GLY A  77
ASP A  95
 None
 0.96A 2y05A-3ug7A:
undetectable
2y05B-3ug7A:
undetectable		 2y05A-3ug7A:
22.11
2y05B-3ug7A:
22.11
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 8 GLY A  54
ASN A  88
ILE A 322
VAL A  91
 None
 0.75A 2yoeB-3ug7A:
undetectable
2yoeC-3ug7A:
undetectable		 2yoeB-3ug7A:
21.56
2yoeC-3ug7A:
21.56
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.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 11 LYS A  84
VAL A  83
ILE A 328
GLU A  52
ALA A 329
 None
 1.03A 2yy8A-3ug7A:
undetectable
2yy8B-3ug7A:
undetectable		 2yy8A-3ug7A:
22.29
2yy8B-3ug7A:
22.29
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.
3BJW_B_SVRB512_1
(PHOSPHOLIPASE A2)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 5 VAL A  91
VAL A  58
THR A  40
THR A  81
 None
None
MG  A 403 ( 3.2A)
None
 1.17A 3bjwA-3ug7A:
undetectable		 3bjwA-3ug7A:
15.14
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.
3BJW_E_SVRE510_3
(PHOSPHOLIPASE A2)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 5 VAL A  91
VAL A  58
THR A  40
THR A  81
 None
None
MG  A 403 ( 3.2A)
None
 1.18A 3bjwG-3ug7A:
undetectable		 3bjwG-3ug7A:
15.14
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.
3BJW_F_SVRF509_1
(PHOSPHOLIPASE A2)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 5 VAL A  91
VAL A  58
THR A  40
THR A  81
 None
None
MG  A 403 ( 3.2A)
None
 1.18A 3bjwC-3ug7A:
undetectable		 3bjwC-3ug7A:
15.14
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.
3BJW_H_SVRH511_2
(PHOSPHOLIPASE A2)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 5 VAL A  91
VAL A  58
THR A  40
THR A  81
 None
None
MG  A 403 ( 3.2A)
None
 1.15A 3bjwD-3ug7A:
undetectable		 3bjwD-3ug7A:
15.14
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.
4GC9_A_ACTA402_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 LYS A  27
TYR A  28
ARG A 237
 None
 1.14A 4gc9A-3ug7A:
undetectable		 4gc9A-3ug7A:
23.19
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		6 / 12 VAL A 243
TYR A 333
LEU A  12
ARG A 241
ILE A  29
THR A  46
 None
 1.44A 4o5fA-3ug7A:
undetectable
4o5fB-3ug7A:
undetectable		 4o5fA-3ug7A:
20.11
4o5fB-3ug7A:
20.11
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		6 / 12 THR A  46
VAL A 243
TYR A 333
LEU A  12
ARG A 241
ILE A  29
 None
 1.44A 4o5fA-3ug7A:
undetectable
4o5fB-3ug7A:
undetectable		 4o5fA-3ug7A:
20.11
4o5fB-3ug7A:
20.11
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		6 / 12 VAL A 243
TYR A 333
LEU A  12
ARG A 241
ILE A  29
THR A  46
 None
 1.46A 5b8hA-3ug7A:
undetectable
5b8hB-3ug7A:
undetectable		 5b8hA-3ug7A:
20.05
5b8hB-3ug7A:
20.05
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.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3ug7 ARSENICAL
PUMP-DRIVING ATPASE
(Methanocaldococc
us
jannaschii) 		6 / 12 THR A  46
VAL A 243
TYR A 333
LEU A  12
ARG A 241
ILE A  29
 None
 1.45A 5b8hA-3ug7A:
undetectable
5b8hB-3ug7A:
undetectable		 5b8hA-3ug7A:
20.05
5b8hB-3ug7A:
20.05