SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2dws'

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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 ALA A 132
PHE A 155
ALA A 162
LEU A 103
ILE A 105
None
1.30A 1claA-2dwsA:
undetectable
1claA-2dwsA:
20.72
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.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 GLY A 347
ALA A 348
ILE A 210
ILE A  99
PRO A 280
None
0.85A 1hxbA-2dwsA:
undetectable
1hxbA-2dwsA:
13.76
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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 11 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.83A 1hxwB-2dwsA:
undetectable
1hxwB-2dwsA:
13.82
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.
1JZS_A_MRCA1301_1
(ISOLEUCYL-TRNA
SYNTHETASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 11 GLY A 171
PRO A 172
HIS A 126
HIS A 177
ILE A 145
None
None
CU  A 401 (-3.2A)
CU  A 401 (-3.1A)
None
1.15A 1jzsA-2dwsA:
undetectable
1jzsA-2dwsA:
19.24
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.
1L5Q_B_CFFB1864_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
3 / 3 TRP A 176
HIS A 126
MET A  93
None
CU  A 401 (-3.2A)
None
1.18A 1l5qB-2dwsA:
0.0
1l5qB-2dwsA:
18.62
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 4 HIS A 126
CYH A 167
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.22A 1oe1A-2dwsA:
53.1
1oe1A-2dwsA:
66.87
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
3 / 3 ASP A 129
HIS A 131
HIS A 166
CU  A 402 ( 3.9A)
CU  A 402 ( 3.2A)
CU  A 402 ( 3.3A)
0.10A 1oe1A-2dwsA:
53.1
1oe1A-2dwsA:
66.87
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 5 HIS A 126
CYH A 167
PRO A 169
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
None
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.22A 1oe2A-2dwsA:
53.0
1oe2A-2dwsA:
66.57
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 4 HIS A 126
CYH A 167
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.22A 1oe3A-2dwsA:
52.3
1oe3A-2dwsA:
66.87
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
3 / 3 ASP A 129
HIS A 131
HIS A 166
CU  A 402 ( 3.9A)
CU  A 402 ( 3.2A)
CU  A 402 ( 3.3A)
0.10A 1oe3A-2dwsA:
52.3
1oe3A-2dwsA:
66.87
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.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 1t3rA-2dwsA:
undetectable
1t3rA-2dwsA:
14.37
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.
1T7I_A_017A200_1
(POL POLYPROTEIN)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.85A 1t7iA-2dwsA:
undetectable
1t7iA-2dwsA:
16.30
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 4 HIS A 126
CYH A 167
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.66A 2fqdA-2dwsA:
20.5
2fqdA-2dwsA:
20.77
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.
2FQE_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 4 HIS A 126
CYH A 167
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.63A 2fqeA-2dwsA:
20.6
2fqeA-2dwsA:
20.77
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.
2FQF_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 4 HIS A 126
CYH A 167
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.61A 2fqfA-2dwsA:
20.5
2fqfA-2dwsA:
20.77
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.
2FQG_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 4 HIS A 126
CYH A 167
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.62A 2fqgA-2dwsA:
20.5
2fqgA-2dwsA:
20.77
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.
2IDW_B_017B401_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 2idwB-2dwsA:
undetectable
2idwB-2dwsA:
16.72
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.
2NMY_A_ROCA401_1
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 GLY A 347
ALA A 348
ILE A 210
ILE A  99
PRO A 280
None
0.85A 2nmyA-2dwsA:
undetectable
2nmyA-2dwsA:
16.72
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.
2NMZ_B_ROCB401_3
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.83A 2nmzB-2dwsA:
undetectable
2nmzB-2dwsA:
16.72
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 4 HIS A 126
CYH A 167
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.27A 2xxgA-2dwsA:
52.9
2xxgA-2dwsA:
66.57
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
3 / 3 ASP A 129
HIS A 131
HIS A 166
CU  A 402 ( 3.9A)
CU  A 402 ( 3.2A)
CU  A 402 ( 3.3A)
0.10A 2xxgA-2dwsA:
52.9
2xxgA-2dwsA:
66.57
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 5 HIS A 126
CYH A 167
PRO A 169
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
None
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.23A 2xxgC-2dwsA:
52.9
2xxgC-2dwsA:
66.57
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
3 / 3 ASP A 129
HIS A 131
HIS A 166
CU  A 402 ( 3.9A)
CU  A 402 ( 3.2A)
CU  A 402 ( 3.3A)
0.11A 2xxgC-2dwsA:
52.9
2xxgC-2dwsA:
66.57
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.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
3 / 3 THR A 244
SER A 248
LYS A 346
None
0.82A 3aocC-2dwsA:
undetectable
3aocC-2dwsA:
16.55
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.84A 3bvbB-2dwsA:
undetectable
3bvbB-2dwsA:
16.72
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 8 PHE A 155
PHE A 163
ASP A 129
GLY A 138
None
None
CU  A 402 ( 3.9A)
None
0.83A 3c0zB-2dwsA:
undetectable
3c0zB-2dwsA:
22.74
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.
3C6M_A_SPMA501_1
(SPERMINE SYNTHASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 11 TYR A 208
ASP A 205
VAL A 273
ASN A 272
ASP A 294
None
1.38A 3c6mA-2dwsA:
undetectable
3c6mA-2dwsA:
23.89
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.
3EBZ_B_017B201_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 11 GLY A 254
ALA A 255
GLY A 347
ILE A 250
ILE A 217
None
0.81A 3ebzB-2dwsA:
undetectable
3ebzB-2dwsA:
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.
3EKT_B_017B200_1
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 3ektA-2dwsA:
undetectable
3ektA-2dwsA:
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.
3EKT_D_017D200_1
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 11 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 3ektC-2dwsA:
undetectable
3ektC-2dwsA:
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.
3EKV_A_478A200_1
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 3ekvA-2dwsA:
undetectable
3ekvA-2dwsA:
14.37
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 SER A 278
TYR A 165
ALA A 320
GLY A 161
VAL A 276
None
1.20A 3f8wA-2dwsA:
undetectable
3f8wA-2dwsA:
22.64
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.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 6 VAL A  82
ILE A 210
ALA A 255
LEU A  84
None
0.81A 3kk6B-2dwsA:
undetectable
3kk6B-2dwsA:
21.77
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.
3LZU_A_017A200_2
(HIV-1 PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.90A 3lzuB-2dwsA:
undetectable
3lzuB-2dwsA:
14.46
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.84A 3lzvA-2dwsA:
undetectable
3lzvA-2dwsA:
15.99
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.
3NDT_A_ROCA101_3
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.89A 3ndtB-2dwsA:
undetectable
3ndtB-2dwsA:
16.67
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.
3NU3_B_478B401_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 11 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.81A 3nu3B-2dwsA:
undetectable
3nu3B-2dwsA:
16.72
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.
3NU4_B_478B401_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.84A 3nu4B-2dwsA:
undetectable
3nu4B-2dwsA:
16.40
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.
3NUJ_B_478B401_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.85A 3nujB-2dwsA:
undetectable
3nujB-2dwsA:
16.09
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.
3NUO_B_478B478_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.82A 3nuoB-2dwsA:
undetectable
3nuoB-2dwsA:
14.80
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.88A 3oy4B-2dwsA:
undetectable
3oy4B-2dwsA:
14.37
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.
3S45_B_478B201_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 11 GLY A 254
ALA A 255
GLY A 347
ILE A 250
ILE A 217
None
0.81A 3s45B-2dwsA:
undetectable
3s45B-2dwsA:
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.
3S53_A_017A201_1
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 GLY A 254
ALA A 255
GLY A 347
ILE A 250
ILE A 217
None
0.91A 3s53A-2dwsA:
undetectable
3s53A-2dwsA:
16.40
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.
3S54_B_017B201_1
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 217
None
0.87A 3s54A-2dwsA:
undetectable
3s54A-2dwsA:
16.40
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.
3S54_B_017B201_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
6 / 12 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
ILE A 217
None
0.91A 3s54B-2dwsA:
undetectable
3s54B-2dwsA:
16.40
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.
3SPK_A_TPVA100_2
(HIV-1 PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 7 LEU A  90
ALA A 255
GLY A 347
ILE A 250
None
0.87A 3spkB-2dwsA:
undetectable
3spkB-2dwsA:
14.47
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.
3U7S_A_017A201_1
(POL POLYPROTEIN)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 3u7sA-2dwsA:
undetectable
3u7sA-2dwsA:
15.41
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 ASP A 294
SER A 284
ILE A 315
ALA A 348
ALA A 334
None
1.27A 3ua1A-2dwsA:
undetectable
3ua1A-2dwsA:
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 8 HIS A 215
GLY A 181
GLY A 234
MET A 124
None
0.90A 3v3nB-2dwsA:
undetectable
3v3nB-2dwsA:
21.68
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.
3V3N_C_MIYC2001_1
(TETX2 PROTEIN)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 8 HIS A 215
GLY A 181
GLY A 234
MET A 124
None
0.90A 3v3nC-2dwsA:
undetectable
3v3nC-2dwsA:
21.68
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.
4A99_D_MIYD392_1
(TETX2 PROTEIN)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 5 HIS A 277
SER A 278
SER A 319
VAL A 164
None
1.42A 4a99D-2dwsA:
undetectable
4a99D-2dwsA:
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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 4dqbB-2dwsA:
undetectable
4dqbB-2dwsA:
17.03
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.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 4dqcB-2dwsA:
undetectable
4dqcB-2dwsA:
16.72
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.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 4dqeB-2dwsA:
undetectable
4dqeB-2dwsA:
16.72
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.85A 4dqfB-2dwsA:
undetectable
4dqfB-2dwsA:
15.41
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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.87A 4dqhB-2dwsA:
undetectable
4dqhB-2dwsA:
14.80
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)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 4 HIS A 126
CYH A 167
HIS A 177
MET A 182
CU  A 401 (-3.2A)
CU  A 401 (-2.2A)
CU  A 401 (-3.1A)
CU  A 401 (-2.4A)
0.61A 4ef3A-2dwsA:
20.3
4ef3A-2dwsA:
20.80
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.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 GLY A 139
GLY A 140
GLY A 141
ALA A 133
VAL A 112
None
0.96A 4htfB-2dwsA:
undetectable
4htfB-2dwsA:
21.33
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.
4KLR_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 7 LEU A 324
ARG A 203
PRO A 190
VAL A  63
None
0.86A 4klrA-2dwsA:
undetectable
4klrA-2dwsA:
22.61
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.
4LL3_A_017A202_1
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.88A 4ll3A-2dwsA:
undetectable
4ll3A-2dwsA:
13.82
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.
4NJT_B_017B101_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.82A 4njtB-2dwsA:
undetectable
4njtB-2dwsA:
14.47
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.
4OMW_D_TE4D202_1
(BETA-LACTOGLOBULIN)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 ASN A 339
ASN A 337
ALA A 348
GLN A 279
SER A 284
None
1.45A 4omwD-2dwsA:
0.0
4omwD-2dwsA:
20.30
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 4q1wA-2dwsA:
undetectable
4q1wA-2dwsA:
14.98
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 11 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.88A 4q1xA-2dwsA:
undetectable
4q1xA-2dwsA:
15.99
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.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 10 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.86A 4q1yA-2dwsA:
undetectable
4q1yA-2dwsA:
16.09
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.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 5 LEU A 288
VAL A 296
VAL A 276
TYR A 325
None
1.07A 4r7iA-2dwsA:
undetectable
4r7iA-2dwsA:
24.30
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.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.83A 4rvjB-2dwsA:
undetectable
4rvjB-2dwsA:
14.47
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.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.83A 4rvjD-2dwsA:
undetectable
4rvjD-2dwsA:
14.47
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.
4WRY_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 8 GLY A 211
SER A 213
SER A 284
HIS A 277
None
0.97A 4wryA-2dwsA:
undetectable
4wryA-2dwsA:
22.39
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.
4WRZ_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 8 GLY A 211
SER A 213
SER A 284
HIS A 277
None
0.97A 4wrzA-2dwsA:
undetectable
4wrzA-2dwsA:
22.39
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.
4WS1_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 8 GLY A 211
SER A 213
SER A 284
HIS A 277
None
0.95A 4ws1A-2dwsA:
undetectable
4ws1A-2dwsA:
22.39
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 6 GLU A 355
GLY A 293
ASP A 294
GLY A 291
None
0.88A 5cdnA-2dwsA:
undetectable
5cdnB-2dwsA:
undetectable
5cdnA-2dwsA:
22.31
5cdnB-2dwsA:
20.73
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.
5E5J_A_017A201_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 217
None
0.88A 5e5jB-2dwsA:
undetectable
5e5jB-2dwsA:
16.40
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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
4 / 8 TYR A 333
LEU A 288
PHE A 275
THR A 206
None
0.88A 5eseA-2dwsA:
undetectable
5eseA-2dwsA:
19.89
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.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 HIS A  60
TYR A 204
LEU A 324
ALA A  57
GLY A 161
None
0.94A 5jw1A-2dwsA:
undetectable
5jw1A-2dwsA:
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.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 HIS A  60
TYR A 204
LEU A 324
ALA A  57
GLY A 161
None
0.93A 5jw1B-2dwsA:
undetectable
5jw1B-2dwsA:
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.
5KR0_A_478A101_2
(PROTEASE E35D-APV)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 9 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.83A 5kr0B-2dwsA:
undetectable
5kr0B-2dwsA:
14.50
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.
5T2Z_B_017B201_2
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.88A 5t2zB-2dwsA:
undetectable
5t2zB-2dwsA:
16.72
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.
5XIO_A_HFGA801_1
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
3 / 3 THR A 123
GLU A  79
HIS A 177
None
None
CU  A 401 (-3.1A)
0.91A 5xioA-2dwsA:
undetectable
5xioA-2dwsA:
19.64
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.
5XIQ_B_HFGB1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
3 / 3 THR A 123
GLU A  79
HIS A 177
None
None
CU  A 401 (-3.1A)
0.91A 5xiqB-2dwsA:
undetectable
5xiqB-2dwsA:
21.80
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.
5XIQ_D_HFGD1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
3 / 3 THR A 123
GLU A  79
HIS A 177
None
None
CU  A 401 (-3.1A)
0.88A 5xiqD-2dwsA:
undetectable
5xiqD-2dwsA:
21.80
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.
6DH3_A_017A101_0
(PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 GLY A 254
ALA A 255
GLY A 347
ILE A 250
ILE A 217
None
0.78A 6dh3A-2dwsA:
undetectable
6dh3A-2dwsA:
14.19
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.
6DIL_B_TPVB201_1
(HIV-1 PROTEASE)
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides)
5 / 12 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
None
0.85A 6dilB-2dwsA:
undetectable
6dilB-2dwsA:
13.80