SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5t5i'

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.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 7 TYR B 207
GLY C 202
ILE C 251
GLY C 221
None
0.77A 11gsB-5t5iB:
undetectable
11gsB-5t5iB:
17.37
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.
1BDW_B_DVAB8_0
(GRAMICIDIN A)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
wolfeii)
3 / 3 VAL D  60
VAL D  51
TRP D  83
None
0.99A 1bdwA-5t5iD:
undetectable
1bdwB-5t5iD:
undetectable
1bdwA-5t5iD:
10.42
1bdwB-5t5iD:
10.42
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.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 12 ALA C 250
ASP B 211
LEU C 219
PHE C 222
ILE C 209
None
1.26A 1dreA-5t5iC:
undetectable
1dreA-5t5iC:
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.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 8 PHE B 166
GLY G  35
ARG B 163
VAL G  48
None
1.05A 1gsfA-5t5iB:
undetectable
1gsfA-5t5iB:
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.
1GSF_B_EAAB223_1
(GLUTATHIONE
TRANSFERASE A1-1)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 8 PHE B 166
GLY G  35
ARG B 163
VAL G  48
None
1.05A 1gsfB-5t5iB:
undetectable
1gsfB-5t5iB:
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.
1GSF_D_EAAD223_1
(GLUTATHIONE
TRANSFERASE A1-1)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 8 PHE B 166
GLY G  35
ARG B 163
VAL G  48
None
1.05A 1gsfD-5t5iB:
undetectable
1gsfD-5t5iB:
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.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 10 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
0.99A 1hsgA-5t5iG:
undetectable
1hsgA-5t5iG:
24.00
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_3
(HIV-1 PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.02A 1hxbB-5t5iG:
undetectable
1hxbB-5t5iG:
23.00
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.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
5 / 12 GLY C  99
ILE C 192
GLY C 163
SER C 138
ILE C 162
None
0.93A 1q8jB-5t5iC:
undetectable
1q8jB-5t5iC:
21.00
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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 8 PHE C 218
TYR B 224
LEU B 223
GLY C 247
None
0.80A 1rmtC-5t5iC:
undetectable
1rmtC-5t5iC:
20.50
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.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 11 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.01A 1sduA-5t5iG:
undetectable
1sduA-5t5iG:
25.23
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.
1SH9_B_RITB301_2
(POL POLYPROTEIN)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
5 / 10 ARG B 288
ASP B  18
ILE B  19
GLY B  38
ILE B  37
None
None
None
SF4  B 501 ( 4.0A)
SF4  B 501 (-4.5A)
1.05A 1sh9B-5t5iB:
undetectable
1sh9B-5t5iB:
12.80
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.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 7 THR F 298
GLU B 173
THR F 299
VAL F 278
None
1.20A 1tv8A-5t5iF:
undetectable
1tv8A-5t5iF:
22.89
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.
2A1M_B_CAMB2422_0
(CYTOCHROME P450-CAM)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 8 THR B  92
VAL B  99
GLY B 100
ILE B 417
MGD  B 503 ( 4.9A)
None
None
None
0.79A 2a1mB-5t5iB:
undetectable
2a1mB-5t5iB:
21.74
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.
2ACL_C_REAC503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
wolfeii)
6 / 10 ILE D  78
ALA D  30
ALA D  31
ASN D  50
ALA D  29
ILE D 107
None
1.47A 2aclC-5t5iD:
undetectable
2aclC-5t5iD:
19.23
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.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
4 / 5 GLY C 221
PRO C 270
ALA C 269
ILE C 268
None
0.90A 2aofA-5t5iC:
undetectable
2aofA-5t5iC:
18.85
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.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
4 / 5 LEU G  60
PRO G  23
VAL G  24
ILE G  45
None
None
None
SF4  G 102 ( 3.9A)
1.02A 2aoiB-5t5iG:
undetectable
2aoiB-5t5iG:
25.00
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.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.06A 2avoA-5t5iG:
undetectable
2avoA-5t5iG:
25.00
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.
2BR4_E_SAME301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
3 / 3 SER C 115
ASP B 328
CYH B 309
None
1.15A 2br4E-5t5iC:
undetectable
2br4E-5t5iC:
19.06
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.
2HRE_B_CHDB701_0
(FERROCHELATASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
3 / 3 LYS B 140
GLY G  37
PRO G  38
None
0.91A 2hreB-5t5iB:
undetectable
2hreB-5t5iB:
21.51
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.
2I30_A_SALA1100_1
(SERUM ALBUMIN)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
4 / 6 HIS C 249
PHE C 222
GLY C 256
LYS C 255
None
1.36A 2i30A-5t5iC:
undetectable
2i30A-5t5iC:
16.92
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.
2J9C_C_ACTC1120_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
3 / 3 LYS B  41
TYR B 291
PRO B  10
MGD  B 503 ( 3.3A)
None
None
1.41A 2j9cC-5t5iB:
undetectable
2j9cC-5t5iB:
18.16
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.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 5 LEU B 103
LEU B 418
LEU B 412
MET B 339
None
0.99A 2oaxF-5t5iB:
undetectable
2oaxF-5t5iB:
21.06
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.
2PXC_A_SAMA500_0
(GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)])
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
wolfeii;
Methanothermobac
ter
wolfeii)
5 / 12 GLY C 111
GLY C 133
GLY C 114
ASP D  93
ASP C 131
None
0.90A 2pxcA-5t5iC:
undetectable
2pxcA-5t5iC:
23.43
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.
2R5Q_B_1UNB900_1
(PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.12A 2r5qA-5t5iG:
undetectable
2r5qA-5t5iG:
27.10
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.
2R5Q_D_1UND900_1
(PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.12A 2r5qC-5t5iG:
undetectable
2r5qC-5t5iG:
27.10
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.
2VH3_A_DAHA2_1
(RANASMURFIN)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 9 ALA G  33
ALA B 167
SER B 162
GLY G  16
ALA G  21
None
None
None
SF4  G 101 (-4.0A)
None
1.18A 2vh3A-5t5iG:
undetectable
2vh3A-5t5iG:
19.30
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 6 MET B 339
PRO B  84
ILE B  77
LEU B 421
None
1.35A 2wekB-5t5iB:
3.0
2wekB-5t5iB:
22.44
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.
2Z0A_A_GLYA73_0
(NONSTRUCTURAL
PROTEIN 1)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF

(Methanothermobac
ter
wolfeii)
4 / 5 GLN F  27
GLN F  89
ILE F  25
ARG F  23
None
1.38A 2z0aA-5t5iF:
undetectable
2z0aA-5t5iF:
12.32
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.
2Z9W_A_PXLA1197_1
(ASPARTATE
AMINOTRANSFERASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 11 PRO B 186
LEU B 201
ASP B 206
SER B 259
ASN D   6
MGD  B 504 (-4.4A)
None
MGD  B 504 (-2.9A)
MGD  B 504 (-3.7A)
MGD  B 504 (-3.3A)
1.23A 2z9wA-5t5iB:
2.8
2z9wA-5t5iB:
21.66
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.
2Z9W_B_PXLB1197_1
(ASPARTATE
AMINOTRANSFERASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 11 PRO B 186
LEU B 201
ASP B 206
SER B 259
ASN D   6
MGD  B 504 (-4.4A)
None
MGD  B 504 (-2.9A)
MGD  B 504 (-3.7A)
MGD  B 504 (-3.3A)
1.23A 2z9wB-5t5iB:
undetectable
2z9wB-5t5iB:
21.66
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.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
4 / 5 ASP C  70
ILE C  21
ILE C   5
GLY C  71
None
0.88A 3bufA-5t5iC:
undetectable
3bufA-5t5iC:
21.39
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 12 LEU G   5
ALA G  21
GLY G  62
THR F  57
ILE G  76
SF4  G 102 ( 4.6A)
None
SF4  G 102 (-4.3A)
None
SF4  G 101 ( 3.8A)
1.07A 3c6gA-5t5iG:
undetectable
3c6gA-5t5iG:
9.60
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.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.02A 3d1yB-5t5iG:
undetectable
3d1yB-5t5iG:
25.00
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.03A 3k4vC-5t5iG:
undetectable
3k4vC-5t5iG:
25.00
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.
3LXI_A_CAMA423_0
(CYTOCHROME P450)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 10 TYR B 207
THR B 268
LEU C 219
GLY C 221
VAL B 227
None
1.30A 3lxiA-5t5iB:
undetectable
3lxiA-5t5iB:
23.20
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.
3LXI_B_CAMB423_0
(CYTOCHROME P450)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 11 TYR B 207
THR B 268
LEU C 219
GLY C 221
VAL B 227
None
1.30A 3lxiB-5t5iB:
undetectable
3lxiB-5t5iB:
23.20
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.
3M6V_B_SAMB465_0
(RRNA METHYLASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 12 PRO C 181
GLY C 182
GLY C 201
ASP C 134
LEU B 124
None
1.09A 3m6vB-5t5iC:
undetectable
3m6vB-5t5iC:
19.15
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.
3N3I_A_ROCA201_2
(PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 6 PRO B 345
ASP B 414
ILE B 365
VAL B 101
None
MGD  B 503 (-3.0A)
MGD  B 503 (-4.9A)
None
0.88A 3n3iA-5t5iB:
undetectable
3n3iA-5t5iB:
17.08
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.
3N9J_B_EAAB214_1
(GLUTATHIONE
S-TRANSFERASE P)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 8 TYR B 207
GLY C 202
ILE C 251
GLY C 221
None
0.79A 3n9jB-5t5iB:
undetectable
3n9jB-5t5iB:
17.37
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.
3NDU_D_ROCD100_1
(PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.04A 3nduC-5t5iG:
undetectable
3nduC-5t5iG:
24.75
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.
3NDU_D_ROCD100_2
(PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
0.96A 3nduD-5t5iG:
undetectable
3nduD-5t5iG:
24.75
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.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
5 / 10 ILE B 341
ASP B 414
ALA B 342
THR B 257
ILE B  37
None
MGD  B 503 (-3.0A)
MGD  B 503 (-3.4A)
None
SF4  B 501 (-4.5A)
1.16A 3prsA-5t5iB:
undetectable
3prsA-5t5iB:
20.31
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.
3PWR_A_ROCA401_1
(PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.01A 3pwrA-5t5iG:
undetectable
3pwrA-5t5iG:
25.00
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.
3QEL_D_QELD2_2
(GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 9 ALA G  26
ILE G  20
PHE B 166
THR F 321
PRO F 319
None
None
None
K  F 410 (-4.7A)
SF4  G 102 ( 4.8A)
1.43A 3qelD-5t5iG:
undetectable
3qelD-5t5iG:
12.06
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_1
(PROTEASE)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
5 / 9 ALA C 158
ILE C 192
GLY C 163
ILE C 172
ILE C 173
None
0.98A 3s45A-5t5iC:
undetectable
3s45A-5t5iC:
21.05
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.
3T3S_B_9PLB1_1
(CYTOCHROME P450 2A13)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 6 PHE D 100
ASN D  85
PHE B 349
THR B 372
MGD  B 503 (-3.7A)
MGD  B 503 (-3.2A)
None
None
1.07A 3t3sB-5t5iD:
undetectable
3t3sB-5t5iD:
15.05
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.
3T3S_E_9PLE1_1
(CYTOCHROME P450 2A13)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 8 PHE D 100
ASN D  85
PHE B 349
THR B 372
MGD  B 503 (-3.7A)
MGD  B 503 (-3.2A)
None
None
1.08A 3t3sE-5t5iD:
undetectable
3t3sE-5t5iD:
15.05
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.
3TGV_B_BEZB160_0
(HEME-BINDING PROTEIN
HUTZ)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
4 / 4 LEU G   5
GLY G   4
LEU G  78
GLU G  79
SF4  G 102 ( 4.6A)
None
None
None
1.09A 3tgvB-5t5iG:
undetectable
3tgvB-5t5iG:
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.
3V4T_A_ACTA502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 5 TYR B  87
VAL B 340
SER B 343
GLY B 346
None
None
MGD  B 503 (-2.7A)
None
1.45A 3v4tA-5t5iB:
undetectable
3v4tD-5t5iB:
undetectable
3v4tA-5t5iB:
24.20
3v4tD-5t5iB:
24.20
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.
4C9N_B_CAMB1420_0
(CYTOCHROME P450)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 10 TYR B 207
THR B 268
LEU C 219
GLY C 221
VAL B 227
None
1.29A 4c9nB-5t5iB:
undetectable
4c9nB-5t5iB:
22.80
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.
4C9P_A_CAMA423_0
(CYTOCHROME P450)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 9 TYR B 207
THR B 268
LEU C 219
GLY C 221
VAL B 227
None
1.34A 4c9pA-5t5iB:
undetectable
4c9pA-5t5iB:
22.58
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.
4D33_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 8 ASN B  33
ILE B  19
ASN B   6
ASP B  17
None
1.03A 4d33A-5t5iB:
undetectable
4d33A-5t5iB:
21.67
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.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
4 / 7 PHE C  26
ALA C  18
THR C  76
LEU C   6
None
1.04A 4ejgA-5t5iC:
undetectable
4ejgA-5t5iC:
17.95
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.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 5 PRO B 186
ASP B 185
ILE B 256
VAL B 147
MGD  B 504 (-4.4A)
MGD  B 504 (-3.1A)
None
None
1.25A 4hytA-5t5iB:
3.2
4hytA-5t5iB:
17.42
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.
4J5J_B_478B401_2
(PROTEASE)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
5 / 10 ASN C  95
ILE C  79
VAL C  73
GLY C  92
VAL C  98
None
1.06A 4j5jB-5t5iC:
undetectable
4j5jB-5t5iC:
16.33
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF

(Methanothermobac
ter
wolfeii)
4 / 9 TYR F 156
CYH F 157
HIS F 173
ILE F 209
None
SF4  F 407 (-2.2A)
None
None
1.18A 4jvlA-5t5iF:
undetectable
4jvlA-5t5iF:
21.69
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 12 GLY C 247
GLY C 256
ILE C 251
ARG B 214
PHE C 245
None
0.87A 4kicA-5t5iC:
undetectable
4kicA-5t5iC:
21.41
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.
4KIC_B_SAMB401_0
(METHYLTRANSFERASE
MPPJ)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 12 GLY C 247
GLY C 256
ILE C 251
ARG B 214
PHE C 245
None
0.88A 4kicB-5t5iC:
undetectable
4kicB-5t5iC:
21.41
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.
4MMC_A_29JA603_1
(TRANSPORTER)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 10 TYR B 207
ASP B 267
TYR C 135
GLY C 202
GLY B 261
None
1.45A 4mmcA-5t5iB:
undetectable
4mmcA-5t5iB:
21.05
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.
4R29_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 12 ALA C 200
ALA C 250
GLY C 221
PHE C 222
GLU B 208
None
1.24A 4r29C-5t5iC:
undetectable
4r29C-5t5iC:
24.83
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.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 5 GLY B  13
ARG B 395
GLU B 397
PHE B 136
None
1.14A 4r82A-5t5iB:
undetectable
4r82B-5t5iB:
undetectable
4r82A-5t5iB:
18.56
4r82B-5t5iB:
18.56
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.
4UDC_A_DEXA1778_2
(GLUCOCORTICOID
RECEPTOR)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
3 / 3 MET B 287
GLN B 298
TYR B 394
None
1.12A 4udcA-5t5iB:
undetectable
4udcA-5t5iB:
20.78
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.
4YPM_A_BO2A801_1
(LON PROTEASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
6 / 12 THR B 294
THR B 301
GLY B 120
PRO B 121
SER B 122
ALA B 125
None
1.45A 4ypmA-5t5iB:
undetectable
4ypmA-5t5iB:
22.45
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.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 5 VAL G  52
TYR B 148
ILE B 182
PRO G  72
None
1.30A 4ze1A-5t5iG:
undetectable
4ze1A-5t5iG:
10.87
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.
4ZZB_E_ACTE403_0
(PROTON-GATED ION
CHANNEL)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
3 / 3 ARG B 264
TYR C 135
GLU C 161
None
0.70A 4zzbE-5t5iB:
undetectable
4zzbE-5t5iB:
21.22
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.
5B6I_A_ADNA302_1
(FLUORINASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 7 THR B 301
TYR B 306
PRO B 307
SER B 304
None
1.16A 5b6iA-5t5iB:
undetectable
5b6iA-5t5iB:
20.78
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.
5BS8_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 7 ALA C 254
ASP B 267
ARG B 264
GLU C 161
None
1.02A 5bs8A-5t5iC:
undetectable
5bs8B-5t5iC:
undetectable
5bs8C-5t5iC:
undetectable
5bs8A-5t5iC:
20.75
5bs8B-5t5iC:
21.25
5bs8C-5t5iC:
20.75
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 7 ALA C 254
ASP B 267
ARG B 264
GLU C 161
None
1.02A 5btdA-5t5iC:
undetectable
5btdB-5t5iC:
undetectable
5btdC-5t5iC:
undetectable
5btdA-5t5iC:
20.75
5btdB-5t5iC:
21.25
5btdC-5t5iC:
20.75
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 7 ALA C 254
ASP B 267
ARG B 264
GLU C 161
None
0.99A 5btdA-5t5iC:
undetectable
5btdC-5t5iC:
undetectable
5btdD-5t5iC:
undetectable
5btdA-5t5iC:
20.75
5btdC-5t5iC:
20.75
5btdD-5t5iC:
21.25
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.
5C0O_H_SAMH301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 5 THR B  92
GLU B 366
HIS B 368
ASP B 414
MGD  B 503 ( 4.9A)
MGD  B 503 (-2.9A)
MGD  B 503 (-4.4A)
MGD  B 503 (-3.0A)
1.27A 5c0oH-5t5iB:
2.1
5c0oH-5t5iB:
20.68
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.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
4 / 6 SER G  70
GLU G  69
GLY G  37
GLY G  35
SF4  G 101 ( 4.4A)
None
None
None
0.87A 5cdnR-5t5iG:
undetectable
5cdnS-5t5iG:
undetectable
5cdnR-5t5iG:
12.05
5cdnS-5t5iG:
19.21
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_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
4 / 6 GLY C  71
ASP C  70
ARG C  91
GLY C  92
None
0.91A 5cdnC-5t5iC:
undetectable
5cdnD-5t5iC:
undetectable
5cdnC-5t5iC:
21.10
5cdnD-5t5iC:
23.29
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.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
4 / 6 GLY C  71
ASP C  70
ARG C  91
GLY C  92
None
0.93A 5cdnT-5t5iC:
undetectable
5cdnU-5t5iC:
undetectable
5cdnT-5t5iC:
21.10
5cdnU-5t5iC:
23.29
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.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
5 / 12 GLY C  99
GLN C 119
ILE C 107
VAL C  94
VAL C 109
None
1.12A 5dpdA-5t5iC:
undetectable
5dpdA-5t5iC:
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.
5DPD_B_SAMB601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
5 / 12 TYR C 135
GLY C 182
ILE C 209
VAL C 196
VAL C 211
None
1.17A 5dpdB-5t5iC:
undetectable
5dpdB-5t5iC:
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.
5EHI_A_SAMA4001_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
wolfeii;
Methanothermobac
ter
wolfeii)
5 / 12 GLY C 111
GLY C 133
GLY C 114
ASP D  93
ASP C 131
None
0.95A 5ehiA-5t5iC:
undetectable
5ehiA-5t5iC:
22.88
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.
5EHI_C_SAMC4000_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
wolfeii;
Methanothermobac
ter
wolfeii)
5 / 12 GLY C 111
GLY C 133
GLY C 114
ASP D  93
ASP C 131
None
1.03A 5ehiC-5t5iC:
undetectable
5ehiC-5t5iC:
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.
5EIW_A_SAMA301_0
(NS5
METHYLTRANSFERASE)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
wolfeii;
Methanothermobac
ter
wolfeii)
5 / 12 GLY C 111
GLY C 133
GLY C 114
ASP D  93
ASP C 131
None
0.98A 5eiwA-5t5iC:
undetectable
5eiwA-5t5iC:
22.88
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.
5EKX_A_SAMA301_0
(NS5
METHYLTRANSFERASE)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
wolfeii;
Methanothermobac
ter
wolfeii)
5 / 12 GLY C 111
GLY C 133
GLY C 114
ASP D  93
ASP C 131
None
0.94A 5ekxA-5t5iC:
undetectable
5ekxA-5t5iC:
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.
5ESG_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 12 GLU B  46
ILE D  11
GLY G  51
THR B  31
HIS B  44
None
1.36A 5esgA-5t5iB:
undetectable
5esgA-5t5iB:
22.88
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.
5EWJ_D_QELD503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 12 ALA G  26
ILE G  20
PHE B 166
THR F 321
PRO F 319
None
None
None
K  F 410 (-4.7A)
SF4  G 102 ( 4.8A)
1.41A 5ewjC-5t5iG:
undetectable
5ewjD-5t5iG:
undetectable
5ewjC-5t5iG:
11.24
5ewjD-5t5iG:
12.06
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.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
5 / 12 ILE B 270
ARG B 214
PHE B 252
LEU B 250
THR B 257
None
1.37A 5fhzA-5t5iB:
2.1
5fhzA-5t5iB:
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.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 9 ARG C 141
ALA B 125
GLN B 127
GLU C 161
ILE B 266
None
1.34A 5i73A-5t5iC:
undetectable
5i73A-5t5iC:
17.90
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.
5KKZ_E_ASCE1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 7 HIS B 160
ILE B 249
VAL B 146
TYR B 148
None
1.25A 5kkzC-5t5iB:
undetectable
5kkzE-5t5iB:
undetectable
5kkzC-5t5iB:
19.29
5kkzE-5t5iB:
22.49
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.
5KKZ_K_ASCK1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 7 ILE B 249
VAL B 146
TYR B 148
HIS B 160
None
1.26A 5kkzK-5t5iB:
undetectable
5kkzQ-5t5iB:
undetectable
5kkzK-5t5iB:
22.49
5kkzQ-5t5iB:
19.29
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.
5KKZ_O_ASCO1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 7 HIS B 160
ILE B 249
VAL B 146
TYR B 148
None
1.17A 5kkzM-5t5iB:
undetectable
5kkzO-5t5iB:
undetectable
5kkzM-5t5iB:
19.29
5kkzO-5t5iB:
22.49
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.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
wolfeii)
5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.07A 5kr2D-5t5iG:
undetectable
5kr2D-5t5iG:
24.00
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF

(Methanothermobac
ter
wolfeii)
5 / 11 THR F  57
GLU F 275
ALA F  53
GLY F  52
LEU F 301
None
None
None
None
SF4  F 402 ( 4.9A)
1.05A 5lf7H-5t5iF:
undetectable
5lf7I-5t5iF:
undetectable
5lf7H-5t5iF:
20.74
5lf7I-5t5iF:
19.02
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.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF

(Methanothermobac
ter
wolfeii)
5 / 11 THR F  57
GLU F 275
ALA F  53
GLY F  52
LEU F 301
None
None
None
None
SF4  F 402 ( 4.9A)
1.02A 5lf7V-5t5iF:
undetectable
5lf7W-5t5iF:
undetectable
5lf7V-5t5iF:
20.74
5lf7W-5t5iF:
19.02
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.
5MUR_E_PFLE406_1
(PROTON-GATED ION
CHANNEL)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
5 / 10 ILE C 128
ILE C 126
ILE C 171
ILE C 173
ILE C 172
None
0.96A 5murE-5t5iC:
undetectable
5murE-5t5iC:
15.96
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.
5NJV_D_SAMD301_0
(NS5)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
wolfeii;
Methanothermobac
ter
wolfeii)
5 / 12 GLY C 111
GLY C 133
GLY C 114
ASP D  93
ASP C 131
None
1.02A 5njvD-5t5iC:
undetectable
5njvD-5t5iC:
19.93
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.
5ODC_G_ACTG703_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A
HETERODISULFIDE
REDUCTASE, SUBUNIT B
HETERODISULFIDE
REDUCTASE, SUBUNIT C)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 4 GLU C 217
ARG B 205
ARG C 199
GLU B 208
None
1.47A 5odcB-5t5iC:
undetectable
5odcC-5t5iC:
undetectable
5odcG-5t5iC:
2.0
5odcB-5t5iC:
23.44
5odcC-5t5iC:
18.66
5odcG-5t5iC:
20.06
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.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 8 THR B 114
PHE D 100
PRO D  98
TYR B  87
MGD  B 503 ( 3.9A)
MGD  B 503 (-3.7A)
None
None
1.32A 5v4vB-5t5iB:
undetectable
5v4vB-5t5iB:
23.14
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.
6AG0_A_ACRA608_0
(ALPHA-AMYLASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 6 GLY B 120
GLN B 127
TYR B 319
TYR B 308
None
1.08A 6ag0A-5t5iB:
undetectable
6ag0A-5t5iB:
11.37
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.
6AG0_C_ACRC606_0
(ALPHA-AMYLASE)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobac
ter
sp.
CaT2)
4 / 6 GLY B 120
GLN B 127
TYR B 319
TYR B 308
None
1.09A 6ag0C-5t5iB:
undetectable
6ag0C-5t5iB:
11.37
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.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
5 / 12 GLY C 118
VAL C  94
ILE C 192
GLY C 163
ALA C 158
None
1.13A 6c2mA-5t5iC:
undetectable
6c2mA-5t5iC:
14.07
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
5 / 12 GLY C 118
VAL C  94
ILE C 192
GLY C 163
ALA C 158
None
1.12A 6c2mB-5t5iC:
undetectable
6c2mB-5t5iC:
14.07
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.
6C2M_D_SUED1202_0
(NS3 PROTEASE)
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
wolfeii)
5 / 12 GLY C 118
VAL C  94
ILE C 192
GLY C 163
ALA C 158
None
1.00A 6c2mD-5t5iC:
undetectable
6c2mD-5t5iC:
14.07
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 7 ASN B 327
ALA D  96
GLU B 323
LEU B 330
None
1.09A 6ci6A-5t5iB:
undetectable
6ci6A-5t5iB:
9.68
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.
6G9B_B_IXXB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 5 ARG B 174
ALA F 273
GLN F 268
ILE F 266
None
1.45A 6g9bA-5t5iB:
undetectable
6g9bB-5t5iB:
undetectable
6g9bA-5t5iB:
12.31
6g9bB-5t5iB:
11.01
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.
6GBN_C_ADNC501_2
(-)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
4 / 5 THR B 372
THR B 114
HIS B 290
GLY D  81
None
MGD  B 503 ( 3.9A)
MGD  B 504 (-3.5A)
None
1.09A 6gbnC-5t5iB:
undetectable
6gbnC-5t5iB:
21.53
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.
6GNE_A_ACRA602_1
(-)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 12 VAL G  73
GLN D  34
PRO B 158
CYH G  15
GLY G  14
None
None
SF4  B 501 ( 4.3A)
SF4  G 101 (-2.2A)
SF4  G 101 ( 3.9A)
1.11A 6gneA-5t5iG:
undetectable
6gneA-5t5iG:
10.29
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.
6GNG_B_QPSB601_3
(-)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
3 / 3 ASP B 185
ASP B 204
ASN C 160
MGD  B 504 (-3.1A)
None
None
0.64A 6gngB-5t5iB:
undetectable
6gngB-5t5iB:
21.03
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.
6H0F_H_Y70H502_0
(IKAROS (IKZF1)
PROTEIN CEREBLON)
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii)
5 / 12 ASN C  75
PRO C  15
GLU C  17
PHE C  52
ASN B 332
None
1.44A 6h0fH-5t5iC:
undetectable
6h0fI-5t5iC:
undetectable
6h0fH-5t5iC:
11.85
6h0fI-5t5iC:
11.11