SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3wkq'

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.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
5 / 10 LEU A 230
ALA A 277
ASP A 256
VAL A 253
PHE A 281
None
1.24A 1d4sA-3wkqA:
undetectable
1d4sA-3wkqA:
15.48
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
3 / 3 ASP A  90
HIS A 143
ASP A 112
None
CU  A 401 (-3.1A)
None
0.78A 1nw5A-3wkqA:
undetectable
1nw5A-3wkqA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OE1_A_CUA501_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 4 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.53A 1oe1A-3wkqA:
29.6
1oe1A-3wkqA:
30.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
3 / 3 ASP A  98
HIS A 100
HIS A 134
CU  A 402 ( 4.0A)
CU  A 402 (-3.2A)
CU  A 402 ( 3.2A)
0.12A 1oe1A-3wkqA:
29.6
1oe1A-3wkqA:
30.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OE2_A_CUA501_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 5 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.54A 1oe2A-3wkqA:
29.6
1oe2A-3wkqA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OE3_A_CUA501_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 4 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.51A 1oe3A-3wkqA:
29.4
1oe3A-3wkqA:
30.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
3 / 3 ASP A  98
HIS A 100
HIS A 134
CU  A 402 ( 4.0A)
CU  A 402 (-3.2A)
CU  A 402 ( 3.2A)
0.12A 1oe3A-3wkqA:
29.4
1oe3A-3wkqA:
30.46
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.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
5 / 11 TYR A 133
GLY A 276
GLY A 275
ILE A 173
LEU A  31
None
1.21A 1p91A-3wkqA:
undetectable
1p91A-3wkqA:
20.35
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.
1T87_B_CAMB2422_0
(CYTOCHROME P450-CAM)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 7 LEU A  73
VAL A 151
VAL A 278
ILE A 232
MPD  A 419 ( 4.7A)
None
None
None
0.92A 1t87B-3wkqA:
undetectable
1t87B-3wkqA:
22.25
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
3 / 3 GLY A 276
ASP A 256
ASN A 234
None
0.50A 1vq1A-3wkqA:
undetectable
1vq1A-3wkqA:
21.01
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.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
5 / 11 VAL A 278
ILE A 232
LEU A 307
ILE A 291
PHE A 250
None
1.22A 1yatA-3wkqA:
undetectable
1yatA-3wkqA:
19.03
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.
2FQD_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 4 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.84A 2fqdA-3wkqA:
21.5
2fqdA-3wkqA:
21.34
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.
2FQE_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 4 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.81A 2fqeA-3wkqA:
21.6
2fqeA-3wkqA:
21.34
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.
2FQF_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 4 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.83A 2fqfA-3wkqA:
21.5
2fqfA-3wkqA:
21.34
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.
2FQG_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 4 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.83A 2fqgA-3wkqA:
21.5
2fqgA-3wkqA:
21.34
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.
2NNP_A_ROCA401_1
(PROTEASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
5 / 11 GLY A 302
ALA A 303
GLY A 210
ILE A  54
PRO A 237
MPD  A 418 (-3.8A)
None
None
None
None
0.83A 2nnpA-3wkqA:
undetectable
2nnpA-3wkqA:
16.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XXG_A_CUA1337_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 4 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.57A 2xxgA-3wkqA:
29.6
2xxgA-3wkqA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
3 / 3 ASP A  98
HIS A 100
HIS A 134
CU  A 402 ( 4.0A)
CU  A 402 (-3.2A)
CU  A 402 ( 3.2A)
0.10A 2xxgA-3wkqA:
29.6
2xxgA-3wkqA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XXG_C_CUC1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 5 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.58A 2xxgC-3wkqA:
29.5
2xxgC-3wkqA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
3 / 3 ASP A  98
HIS A 100
HIS A 134
CU  A 402 ( 4.0A)
CU  A 402 (-3.2A)
CU  A 402 ( 3.2A)
0.08A 2xxgC-3wkqA:
29.5
2xxgC-3wkqA:
30.75
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_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 8 VAL A 278
TYR A 160
VAL A  75
VAL A 171
None
1.29A 2y05A-3wkqA:
undetectable
2y05B-3wkqA:
undetectable
2y05A-3wkqA:
20.11
2y05B-3wkqA:
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.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
3 / 3 HIS A 134
HIS A 100
MET A 132
CU  A 402 ( 3.2A)
CU  A 402 (-3.2A)
None
0.67A 3mihA-3wkqA:
undetectable
3mihA-3wkqA:
22.01
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.
3NNE_A_ACTA601_0
(CHOLINE OXIDASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 5 ILE A  49
HIS A  21
VAL A  93
HIS A  95
None
FMT  A 412 (-3.7A)
None
CU  A 401 (-3.1A)
1.48A 3nneA-3wkqA:
undetectable
3nneA-3wkqA:
19.78
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.
3NNE_B_ACTB601_0
(CHOLINE OXIDASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 5 ILE A  49
HIS A  21
VAL A  93
HIS A  95
None
FMT  A 412 (-3.7A)
None
CU  A 401 (-3.1A)
1.46A 3nneB-3wkqA:
0.0
3nneB-3wkqA:
19.78
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.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
5 / 10 VAL A  74
ALA A 125
VAL A 102
TYR A 133
ILE A  43
None
1.38A 3retA-3wkqA:
undetectable
3retB-3wkqA:
undetectable
3retA-3wkqA:
16.39
3retB-3wkqA:
16.39
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.
4EF3_A_CUA1001_0
(BLUE COPPER OXIDASE
CUEO)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 4 HIS A  95
CYH A 135
HIS A 143
MET A 148
CU  A 401 (-3.1A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-3.7A)
0.84A 4ef3A-3wkqA:
21.4
4ef3A-3wkqA:
21.50
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)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 8 LEU A  73
VAL A 151
VAL A 278
ILE A 232
MPD  A 419 ( 4.7A)
None
None
None
0.94A 4l4cB-3wkqA:
undetectable
4l4cB-3wkqA:
22.14
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.
4UCI_B_ADNB2415_1
(RNA-DIRECTED RNA
POLYMERASE L)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 7 PHE A 110
PHE A  99
TYR A 133
HIS A 134
None
None
None
CU  A 402 ( 3.2A)
1.40A 4uciB-3wkqA:
undetectable
4uciB-3wkqA:
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.
5SYI_A_NIZA805_1
(CATALASE-PEROXIDASE)
3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans)
4 / 5 TRP A  63
HIS A  21
ALA A  20
PRO A 115
FMT  A 412 (-4.0A)
FMT  A 412 (-3.7A)
None
None
1.39A 5syiA-3wkqA:
undetectable
5syiA-3wkqA:
18.95