SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'F3S'


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.
1GTN_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE
(Rhizobium
sp.
NT-26) 		5 / 10 GLY A  30
THR A 580
THR A  23
SER A 563
ALA A 173
 F3S  A2005 (-4.1A)
None
None
None
MGD  A2001 ( 4.7A)
 1.36A 1gtnO-5nqdA:
undetectable
1gtnP-5nqdA:
undetectable		 1gtnO-5nqdA:
undetectable
1gtnP-5nqdA:
undetectable
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.
1GTN_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE
(Rhizobium
sp.
NT-26) 		5 / 9 GLY A  30
THR A 580
THR A  23
SER A 563
ALA A 173
 F3S  A2005 (-4.1A)
None
None
None
MGD  A2001 ( 4.7A)
 1.36A 1gtnQ-5nqdA:
undetectable
1gtnR-5nqdA:
undetectable		 1gtnQ-5nqdA:
undetectable
1gtnR-5nqdA:
undetectable
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.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Desulfovibrio
fructosivorans) 		4 / 5 GLU A 250
GLY A 247
THR A 256
PHE A 253
 None
F3S  A1266 (-4.6A)
None
None
 1.27A 1kqbA-4ucwA:
undetectable
1kqbB-4ucwA:
undetectable		 1kqbA-4ucwA:
22.38
1kqbB-4ucwA:
22.38
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 9 GLY A 250
PRO A 148
GLY A 149
GLY A 119
GLY A 118
 F3S  A 267 ( 4.5A)
None
None
H2S  A 904 (-3.5A)
H2S  A 904 ( 4.4A)
 1.01A 1mxdA-1e3dA:
0.0		 1mxdA-1e3dA:
18.94
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 9 GLY A 251
PRO A 147
GLY A 148
GLY A 120
GLY A 119
 F3S  A2003 ( 4.7A)
None
None
None
None
 1.02A 1mxdA-3myrA:
undetectable		 1mxdA-3myrA:
20.46
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Desulfovibrio
fructosivorans) 		5 / 9 GLY A 247
PRO A 145
GLY A 146
GLY A 119
GLY A 118
 F3S  A1266 (-4.6A)
None
None
None
None
 1.05A 1mxdA-4ucwA:
undetectable		 1mxdA-4ucwA:
22.10
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 5xvd HYDROGENASE-2 SMALL
CHAIN
(Citrobacter
sp.
MGH106) 		5 / 9 GLY S 257
PRO S 152
GLY S 153
GLY S 125
GLY S 124
 F3S  S 402 (-4.4A)
None
None
None
None
 1.06A 1mxdA-5xvdS:
undetectable		 1mxdA-5xvdS:
10.44
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 6en9 HYDROGENASE-2 SMALL
CHAIN
(Escherichia
coli) 		5 / 9 GLY S 257
PRO S 152
GLY S 153
GLY S 125
GLY S 124
 F3S  S 302 (-4.4A)
None
None
None
None
 1.05A 1mxdA-6en9S:
undetectable		 1mxdA-6en9S:
9.98
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.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 GLY A 251
PRO A 147
GLY A 148
GLY A 120
GLY A 119
 F3S  A2003 ( 4.7A)
None
None
None
None
 1.05A 1mxgA-3myrA:
undetectable		 1mxgA-3myrA:
20.46
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.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		 5xvd HYDROGENASE-2 SMALL
CHAIN
(Citrobacter
sp.
MGH106) 		5 / 11 GLY S 257
PRO S 152
GLY S 153
GLY S 125
GLY S 124
 F3S  S 402 (-4.4A)
None
None
None
None
 1.09A 1mxgA-5xvdS:
undetectable		 1mxgA-5xvdS:
10.44
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.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		 6en9 HYDROGENASE-2 SMALL
CHAIN
(Escherichia
coli) 		5 / 11 GLY S 257
PRO S 152
GLY S 153
GLY S 125
GLY S 124
 F3S  S 302 (-4.4A)
None
None
None
None
 1.08A 1mxgA-6en9S:
undetectable		 1mxgA-6en9S:
9.98
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.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE
(Rhizobium
sp.
NT-26) 		5 / 12 GLY A  32
GLY A  30
THR A 656
VAL A  22
ASN A 245
 None
F3S  A2005 (-4.1A)
None
None
F3S  A2005 (-4.0A)
 1.04A 1nv8A-5nqdA:
undetectable		 1nv8A-5nqdA:
undetectable
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.
1QCA_A_FUAA221_1
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1l5j ACONITATE HYDRATASE
2
(Escherichia
coli) 		4 / 7 CYH A 710
SER A 709
PHE A 593
LEU A 487
 F3S  A 868 (-2.2A)
F3S  A 868 (-3.3A)
None
None
 1.13A 1qcaA-1l5jA:
0.0		 1qcaA-1l5jA:
15.07
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.
1S1U_A_NVPA999_1
(REVERSE
TRANSCRIPTASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 10 ILE B 259
LYS B 269
TYR B 273
GLY B 270
TRP A  69
 F3S  B 308 (-4.4A)
None
None
None
None
 1.40A 1s1uA-3ayxB:
undetectable		 1s1uA-3ayxB:
17.05
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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 12 GLY B  72
GLN B  68
THR B  75
ILE A 249
CYH A 251
 None
None
None
F3S  A 267 (-4.4A)
F3S  A 267 (-2.3A)
 1.27A 2azxA-1e3dB:
undetectable		 2azxA-1e3dB:
20.70
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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 12 GLY L  82
GLN L  78
THR L  85
ILE S 250
CYH S 252
 None
None
None
F3S  S2003 (-4.4A)
F3S  S2003 (-2.3A)
 1.29A 2azxA-4u9iL:
undetectable		 2azxA-4u9iL:
22.65
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.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 12 GLY B  72
GLN B  68
THR B  75
ILE A 249
CYH A 251
 None
None
None
F3S  A 267 (-4.4A)
F3S  A 267 (-2.3A)
 1.28A 2azxB-1e3dB:
undetectable		 2azxB-1e3dB:
20.70
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.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 5a4m HYDROGENASE-1 SMALL
CHAIN
(Escherichia
coli) 		4 / 6 ARG S 174
ASN S 228
PRO S 147
ALA S 253
 None
F3S  S 402 (-4.5A)
None
F3S  S 402 ( 4.3A)
 1.27A 2ejfB-5a4mS:
undetectable		 2ejfB-5a4mS:
19.65
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.
2OTH_A_NIMA300_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1xer FERREDOXIN
(Sulfurisphaera
tokodaii) 		4 / 5 LEU A  44
ALA A  70
ILE A  46
LYS A   1
 None
None
F3S  A 104 (-4.6A)
None
 1.14A 2othA-1xerA:
undetectable		 2othA-1xerA:
19.49
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)		 6btm ALTERNATIVE COMPLEX
III SUBUNIT B
ALTERNATIVE COMPLEX
III SUBUNIT C
(Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae) 		4 / 8 PRO B 860
SER C 159
VAL B 880
GLY B 881
 None
None
None
F3S  B1101 ( 4.2A)
 1.03A 2qd3A-6btmB:
undetectable		 2qd3A-6btmB:
undetectable
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 MET A 260
PRO A 262
ILE A 249
ASN A 266
 None
None
F3S  A 267 (-4.4A)
None
 1.29A 2wekB-1e3dA:
undetectable		 2wekB-1e3dA:
23.80
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.
2YA7_A_ZMRA1776_2
(NEURAMINIDASE A)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 6 ARG A  90
ILE B  17
LEU A 290
GLU A 269
 None
F3S  B 802 (-4.4A)
None
None
 1.03A 2ya7A-3egwA:
undetectable		 2ya7A-3egwA:
17.56
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.
2YA7_B_ZMRB1776_2
(NEURAMINIDASE A)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 6 ARG A  90
ILE B  17
LEU A 290
GLU A 269
 None
F3S  B 802 (-4.4A)
None
None
 1.01A 2ya7B-3egwA:
undetectable		 2ya7B-3egwA:
17.56
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.
2YA7_D_ZMRD1776_2
(NEURAMINIDASE A)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 6 ARG A  90
ILE B  17
LEU A 290
GLU A 269
 None
F3S  B 802 (-4.4A)
None
None
 1.03A 2ya7D-3egwA:
undetectable		 2ya7D-3egwA:
17.56
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 8 TYR A  77
VAL B 264
HIS A 265
ARG A  90
 None
F3S  B 802 (-4.9A)
None
None
 1.17A 3b9lA-3egwA:
undetectable		 3b9lA-3egwA:
18.32
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.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Desulfovibrio
fructosivorans) 		5 / 11 ALA A 116
GLY A 119
ILE A 144
ASN A 143
SER A 249
 None
None
None
None
F3S  A1266 ( 4.0A)
 0.91A 3dcmX-4ucwA:
undetectable		 3dcmX-4ucwA:
21.29
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.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 5xmj SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT
(Desulfovibrio
gigas) 		6 / 11 ALA B 164
GLY B 155
SER B 175
VAL B 174
ARG B 178
ALA B 173
 None
SF4  B 302 ( 4.9A)
None
SF4  B 302 (-4.8A)
None
F3S  B 301 ( 3.9A)
 1.43A 3dcmX-5xmjB:
undetectable		 3dcmX-5xmjB:
undetectable
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.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		3 / 3 MET B   9
CYH B 263
PRO B 181
 None
F3S  B 802 (-2.3A)
F3S  B 802 ( 4.6A)
 1.13A 3h52C-3egwB:
undetectable		 3h52C-3egwB:
17.73
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.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5a4m HYDROGENASE-1 SMALL
CHAIN
(Escherichia
coli) 		5 / 9 VAL S 146
ALA S 253
ILE S 186
THR S 233
SER S 232
 None
F3S  S 402 ( 4.3A)
F3S  S 402 ( 4.7A)
None
None
 1.39A 3hbbB-5a4mS:
undetectable		 3hbbB-5a4mS:
18.62
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.
3HZN_D_ACTD229_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2v2k FERREDOXIN
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ASP A  41
GLY A  43
LYS A   1
GLU A  46
 None
F3S  A 107 (-3.6A)
None
None
 1.32A 3hznD-2v2kA:
undetectable		 3hznD-2v2kA:
17.73
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.
3LSL_G_PZIG801_0
(GLUTAMATE RECEPTOR 2)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 PRO A 148
SER A 252
ASN A 156
 None
F3S  A 267 ( 4.1A)
None
 0.88A 3lslG-1e3dA:
0.2		 3lslG-1e3dA:
19.72
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.
3OKX_A_SAMA201_0
(YAEB-LIKE PROTEIN
RPA0152)		 3vrb IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE
(Ascaris
suum) 		5 / 12 LEU B 266
TYR B 202
LEU B 208
GLY B 204
SER B 194
 None
None
None
None
F3S  B 303 (-4.4A)
 1.34A 3okxA-3vrbB:
undetectable		 3okxA-3vrbB:
20.42
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.
3OKX_B_SAMB201_1
(YAEB-LIKE PROTEIN
RPA0152)		 3vrb IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE
(Ascaris
suum) 		5 / 12 LEU B 266
TYR B 202
LEU B 208
GLY B 204
SER B 194
 None
None
None
None
F3S  B 303 (-4.4A)
 1.34A 3okxB-3vrbB:
undetectable		 3okxB-3vrbB:
20.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		 3aeb SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
(Sus
scrofa) 		6 / 8 PRO B 169
HIS B 216
ILE B 218
MET C  39
ILE C  43
ARG C  46
 F7A  C1201 (-4.6A)
F7A  C1201 ( 4.1A)
F3S  B 304 (-4.2A)
F7A  C1201 (-3.2A)
None
F7A  C1201 ( 3.2A)
 0.65A 3sfeB-3aebB:
36.7
3sfeC-3aebB:
undetectable		 3sfeB-3aebB:
99.60
3sfeC-3aebB:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		 3aeb SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
(Sus
scrofa) 		6 / 8 PRO B 169
ILE B 218
MET C  39
SER C  42
ILE C  43
ARG C  46
 F7A  C1201 (-4.6A)
F3S  B 304 (-4.2A)
F7A  C1201 (-3.2A)
F7A  C1201 (-3.1A)
None
F7A  C1201 ( 3.2A)
 0.92A 3sfeB-3aebB:
36.7
3sfeC-3aebB:
undetectable		 3sfeB-3aebB:
99.60
3sfeC-3aebB:
19.38
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.
3V4T_A_ACTA505_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1g8k ARSENITE OXIDASE
ARSENITE OXIDASE
(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		3 / 3 THR A 240
ASN A 241
GLU B  97
 F3S  A5005 ( 4.5A)
F3S  A5005 (-4.1A)
None
 0.67A 3v4tA-1g8kA:
0.0
3v4tC-1g8kA:
0.0		 3v4tA-1g8kA:
19.49
3v4tC-1g8kA:
19.49
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		 1l5j ACONITATE HYDRATASE
2
(Escherichia
coli) 		4 / 6 THR A 445
CYH A 769
GLY A 768
ILE A 479
 None
F3S  A 868 (-2.2A)
None
None
 1.02A 3w9tF-1l5jA:
0.0		 3w9tF-1l5jA:
17.84
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.
4EIX_A_NIMA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1xer FERREDOXIN
(Sulfurisphaera
tokodaii) 		4 / 4 LEU A  44
ALA A  70
ILE A  46
LYS A   1
 None
None
F3S  A 104 (-4.6A)
None
 1.08A 4eixA-1xerA:
undetectable		 4eixA-1xerA:
19.49
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.
4F84_A_SAMA501_0
(GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E)		 1g8k ARSENITE OXIDASE
(Alcaligenes
faecalis) 		5 / 12 GLY A  29
GLY A  27
THR A  20
GLN A 424
VAL A  85
 None
F3S  A5005 (-3.9A)
None
None
None
 1.25A 4f84A-1g8kA:
2.6		 4f84A-1g8kA:
16.97
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.
4IAQ_A_2GMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 6 TRP B 202
ILE B 224
THR B 174
SER B 211
 None
F3S  B 245 ( 4.5A)
None
None
 1.10A 4iaqA-3cirB:
undetectable		 4iaqA-3cirB:
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.
4K50_A_ACTA505_0
(RNA POLYMERASE
3D-POL)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 CYH A 230
ASN A 156
LYS A 232
 F3S  A 267 (-2.3A)
None
None
 1.37A 4k50A-1e3dA:
0.0		 4k50A-1e3dA:
20.17
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.
4KN2_A_LYAA304_1
(FOLATE RECEPTOR BETA)		 1l5j ACONITATE HYDRATASE
2
(Escherichia
coli) 		5 / 12 THR A 500
SER A 248
HIS A 444
GLY A 774
SER A 441
 None
None
F3S  A 868 (-4.2A)
None
None
 1.46A 4kn2A-1l5jA:
0.0		 4kn2A-1l5jA:
11.92
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.
4MM5_A_SREA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 9 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.22A 4mm5A-3dnfA:
undetectable		 4mm5A-3dnfA:
20.34
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.
4MM9_A_FVXA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 11 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.20A 4mm9A-3dnfA:
undetectable		 4mm9A-3dnfA:
20.34
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.
4MMB_A_SREA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 9 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.25A 4mmbA-3dnfA:
undetectable		 4mmbA-3dnfA:
20.34
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.
4MMD_A_29EA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 10 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.24A 4mmdA-3dnfA:
undetectable		 4mmdA-3dnfA:
20.34
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.
4MMF_A_29QA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 9 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.27A 4mmfA-3dnfA:
undetectable		 4mmfA-3dnfA:
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.
4MMF_B_29QB603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 9 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.28A 4mmfB-3dnfA:
undetectable		 4mmfB-3dnfA:
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.
4ZBR_A_DIFA601_1
(SERUM ALBUMIN)		 4c3o HYDROGENASE-1 LARGE
SUBUNIT
HYDROGENASE-1 SMALL
SUBUNIT
(Salmonella
enterica) 		5 / 9 LEU B 250
ASP A  67
ALA A  70
VAL A  72
ARG A  74
 F3S  B1002 (-4.0A)
None
None
None
None
 1.32A 4zbrA-4c3oB:
undetectable		 4zbrA-4c3oB:
17.78
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.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 1l5j ACONITATE HYDRATASE
2
(Escherichia
coli) 		4 / 5 SER A 512
GLY A 243
THR A 790
GLU A 601
 None
None
F3S  A 868 (-3.4A)
None
 1.20A 5btiA-1l5jA:
0.0
5btiB-1l5jA:
0.8		 5btiA-1l5jA:
21.53
5btiB-1l5jA:
16.03
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 1l5j ACONITATE HYDRATASE
2
(Escherichia
coli) 		4 / 5 SER A 512
GLY A 243
THR A 790
GLU A 601
 None
None
F3S  A 868 (-3.4A)
None
 1.21A 5btiC-1l5jA:
undetectable
5btiD-1l5jA:
undetectable		 5btiC-1l5jA:
21.53
5btiD-1l5jA:
16.03
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.
5DBY_A_DIFA601_1
(SERUM ALBUMIN)		 4c3o HYDROGENASE-1 LARGE
SUBUNIT
HYDROGENASE-1 SMALL
SUBUNIT
(Salmonella
enterica) 		5 / 9 LEU B 250
ASP A  67
ALA A  70
VAL A  72
ARG A  74
 F3S  B1002 (-4.0A)
None
None
None
None
 1.28A 5dbyA-4c3oB:
undetectable		 5dbyA-4c3oB:
17.78
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.
5INZ_D_DVAD2_0
(THETA DEFENSIN-2,
D-PEPTIDE
THETA DEFENSIN-2,
L-PEPTIDE)		 6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
(Rhodothermus
marinus) 		4 / 4 GLY B 899
CYH B 897
ARG B 901
GLY B 941
 F3S  B1101 (-3.6A)
F3S  B1101 (-2.2A)
None
None
 1.41A 5inzA-6f0kB:
undetectable
5inzC-6f0kB:
undetectable
5inzD-6f0kB:
undetectable		 5inzA-6f0kB:
undetectable
5inzC-6f0kB:
undetectable
5inzD-6f0kB:
undetectable
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.
5JS5_A_ASCA202_0
(CYTOCHROME C')		 5e7o DMSO REDUCTASE
FAMILY TYPE II
ENZYME, IRON-SULFUR
SUBUNIT
(Azospira
oryzae) 		3 / 3 CYH B 170
LYS B 169
HIS B 166
 F3S  B 402 (-2.8A)
None
None
 1.28A 5js5A-5e7oB:
undetectable		 5js5A-5e7oB:
15.43
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 ALA B  79
GLN B 227
THR B 229
 None
F3S  A 267 (-3.4A)
None
 0.60A 5n0oA-1e3dB:
0.0		 5n0oA-1e3dB:
21.94
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		3 / 3 ALA L  89
GLN L 237
THR L 239
 None
F3S  S2003 (-3.4A)
None
 0.64A 5n0oA-4u9iL:
undetectable		 5n0oA-4u9iL:
23.76
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.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN
(Wolinella
succinogenes) 		3 / 3 ILE B 152
ASN B 177
CYH B 214
 SF4  B1242 (-4.7A)
None
F3S  B1241 (-2.1A)
 0.84A 6bp4A-1qlbB:
undetectable		 6bp4A-1qlbB:
23.95