SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1qwg'

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.
1GEB_A_CAMA418_0
(CYTOCHROME P450-CAM)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 9 PHE A 219
LEU A 178
ILE A 154
VAL A 197
ILE A 199
 None
 0.95A 1gebA-1qwgA:
undetectable		 1gebA-1qwgA:
20.96
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A  74
GLY A  75
GLU A 103
LEU A 131
ASN A 227
 SO4  A 301 (-3.0A)
SO4  A 301 (-3.6A)
SO4  A 301 (-3.4A)
None
None
 1.21A 1qzzA-1qwgA:
undetectable		 1qzzA-1qwgA:
20.99
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.
1T87_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		4 / 7 PHE A 219
LEU A 178
VAL A 197
ILE A 199
 None
 0.89A 1t87B-1qwgA:
undetectable		 1t87B-1qwgA:
21.18
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.
2B82_A_ADNA1001_1
(CLASS B ACID
PHOSPHATASE)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 10 PHE A  41
LYS A  43
GLU A 103
TYR A  72
LEU A 131
 None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.4A)
None
None
 1.27A 2b82A-1qwgA:
0.4		 2b82A-1qwgA:
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.
2B82_B_ADNB1002_1
(CLASS B ACID
PHOSPHATASE)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 9 PHE A  41
LYS A  43
GLU A 103
TYR A  72
LEU A 131
 None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.4A)
None
None
 1.35A 2b82B-1qwgA:
0.4		 2b82B-1qwgA:
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.
2G70_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLN A 211
PHE A 230
VAL A 233
ALA A 206
VAL A  18
 None
 1.44A 2g70A-1qwgA:
undetectable		 2g70A-1qwgA:
18.18
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		3 / 3 ARG A 170
GLY A 175
SER A 210
 SO4  A 300 (-4.0A)
None
None
 0.63A 2xctB-1qwgA:
undetectable		 2xctB-1qwgA:
17.81
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.
2YFB_A_ACTA501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		4 / 7 ASP A 231
VAL A  18
ILE A 228
TYR A  31
 None
 1.07A 2yfbA-1qwgA:
undetectable		 2yfbA-1qwgA:
23.08
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.
2YFB_B_ACTB501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		4 / 6 ASP A 231
VAL A  18
ILE A 228
TYR A  31
 None
 1.10A 2yfbB-1qwgA:
undetectable		 2yfbB-1qwgA:
23.08
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_SVRB501_2
(PHOSPHOLIPASE A2)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 11 LEU A  23
GLY A  22
ILE A  52
SER A  49
PRO A  73
 None
 1.20A 3bjwB-1qwgA:
undetectable		 3bjwB-1qwgA:
16.60
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.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 11 LEU A  23
GLY A  22
ILE A  52
SER A  49
PRO A  73
 None
 1.19A 3bjwE-1qwgA:
undetectable		 3bjwE-1qwgA:
16.60
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.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 12 LEU A  23
GLY A  22
ILE A  52
SER A  49
PRO A  73
 None
 1.24A 3bjwF-1qwgA:
undetectable		 3bjwF-1qwgA:
16.60
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 11 LEU A  23
GLY A  22
ILE A  52
SER A  49
PRO A  73
 None
 1.20A 3bjwH-1qwgA:
undetectable		 3bjwH-1qwgA:
16.60
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.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		3 / 3 PHE A  90
CYH A  94
PHE A  99
 None
 1.07A 3cr5X-1qwgA:
undetectable		 3cr5X-1qwgA:
19.41
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.
4L4C_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		4 / 8 PHE A 219
LEU A 178
VAL A 197
ILE A 199
 None
 0.86A 4l4cB-1qwgA:
0.0		 4l4cB-1qwgA:
21.18
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.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE
(Methanocaldococc
us
jannaschii) 		5 / 10 GLY A 177
GLY A 169
GLN A 211
GLU A 168
LYS A 136
 None
 1.48A 6nqaK-1qwgA:
undetectable		 6nqaK-1qwgA:
19.91