SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'FCO'


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.
1A7Y_A_DVAA8_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.72A 1a7yA-3uscL:
undetectable		 1a7yA-3uscL:
2.00
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.
1A7Y_B_DVAB8_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.81A 1a7yB-3uscL:
undetectable		 1a7yB-3uscL:
2.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		4 / 8 PHE B  55
HIS B 427
ILE B  74
HIS B  82
 None
None
OCS  B  75 ( 3.9A)
FCO  B 500 (-4.3A)
 1.00A 1ei6D-3ze7B:
undetectable		 1ei6D-3ze7B:
24.70
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		4 / 6 CYH L  73
VAL L  72
HIS L  77
CYH L 495
 FCO  L 499 ( 2.2A)
NI  L 500 ( 4.9A)
FCO  L 499 (-3.9A)
FCO  L 499 (-2.3A)
 1.29A 1ekjG-1cc1L:
undetectable
1ekjH-1cc1L:
undetectable		 1ekjG-1cc1L:
17.33
1ekjH-1cc1L:
17.33
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		4 / 6 CYH L  79
VAL L  78
HIS L  83
CYH L 579
 FCO  L 601 ( 2.3A)
3NI  L 602 ( 4.8A)
FCO  L 601 (-3.9A)
FCO  L 601 ( 2.3A)
 1.42A 1ekjG-3uscL:
undetectable
1ekjH-3uscL:
undetectable		 1ekjG-3uscL:
18.07
1ekjH-3uscL:
18.07
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		4 / 6 CYH B  78
VAL B  77
HIS B  82
CYH B 492
 FCO  B 500 (-2.2A)
OCS  B  75 ( 3.3A)
FCO  B 500 (-4.3A)
FCO  B 500 ( 2.3A)
 1.41A 1ekjG-3ze7B:
undetectable
1ekjH-3ze7B:
undetectable		 1ekjG-3ze7B:
20.42
1ekjH-3ze7B:
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 10 VAL L 410
TYR L 548
PRO L 531
HIS L 119
GLU L 458
 None
None
FCO  L 601 (-3.5A)
None
None
 1.31A 1equA-3uscL:
undetectable		 1equA-3uscL:
20.38
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.
1FM6_D_BRLD503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		5 / 12 CYH L 492
HIS L 498
HIS L  77
LEU L 428
LEU L 449
 NI  L 500 (-2.4A)
FE2  L 501 (-3.5A)
FCO  L 499 (-3.9A)
FCO  L 499 (-3.5A)
None
 1.30A 1fm6D-1cc1L:
0.0		 1fm6D-1cc1L:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		5 / 12 CYH L 492
HIS L 498
HIS L  77
LEU L 428
LEU L 449
 NI  L 500 (-2.4A)
FE2  L 501 (-3.5A)
FCO  L 499 (-3.9A)
FCO  L 499 (-3.5A)
None
 1.30A 1fm6X-1cc1L:
0.0		 1fm6X-1cc1L:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		5 / 12 CYH B 489
HIS B 495
HIS B  82
LEU B 425
LEU B 446
 NI  B 501 ( 2.2A)
FE2  B 502 (-3.5A)
FCO  B 500 (-4.3A)
FCO  B 500 (-3.5A)
None
 1.34A 1fm6X-3ze7B:
undetectable		 1fm6X-3ze7B:
19.67
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.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.72A 1i3wE-3uscL:
undetectable		 1i3wE-3uscL:
2.00
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.
1I3W_E_DVAE8_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.76A 1i3wE-3uscL:
undetectable		 1i3wE-3uscL:
2.00
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.
1I3W_F_DVAF8_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.72A 1i3wF-3uscL:
undetectable		 1i3wF-3uscL:
2.00
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.
1I3W_G_DVAG2_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.76A 1i3wG-3uscL:
undetectable		 1i3wG-3uscL:
2.00
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.
1I3W_G_DVAG8_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.79A 1i3wG-3uscL:
undetectable		 1i3wG-3uscL:
2.00
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.
1I3W_H_DVAH8_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.79A 1i3wH-3uscL:
undetectable		 1i3wH-3uscL:
2.00
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.
1MNV_D_DVAD2_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.72A 1mnvD-3uscL:
undetectable		 1mnvD-3uscL:
2.00
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.
1MNV_D_DVAD8_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.72A 1mnvD-3uscL:
undetectable		 1mnvD-3uscL:
2.00
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.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.74A 1ovfB-3uscL:
undetectable		 1ovfB-3uscL:
2.00
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.
1P9G_A_ACTA42_0
(EAFP 2)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		3 / 3 CYH L  73
ARG L 425
CYH L  70
 FCO  L 499 ( 2.2A)
FCO  L 499 (-4.1A)
NI  L 500 ( 2.2A)
 1.47A 1p9gA-1cc1L:
undetectable		 1p9gA-1cc1L:
6.06
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.
1P9G_A_ACTA42_0
(EAFP 2)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 CYH L  79
ARG L 509
CYH L  76
 FCO  L 601 ( 2.3A)
FCO  L 601 (-4.2A)
3NI  L 602 (-2.2A)
 1.39A 1p9gA-3uscL:
undetectable		 1p9gA-3uscL:
6.65
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.
1QFI_A_DVAA8_0
(ACTINOMYCIN X2)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.70A 1qfiA-3uscL:
undetectable		 1qfiA-3uscL:
2.00
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.
1QFI_B_DVAB8_0
(ACTINOMYCIN X2)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.84A 1qfiB-3uscL:
undetectable		 1qfiB-3uscL:
2.00
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.77A 1unjF-3uscL:
undetectable		 1unjF-3uscL:
2.00
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.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.72A 1unjF-3uscL:
undetectable		 1unjF-3uscL:
2.00
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.
1UNJ_L_DVAL2_0
(7-AMINO-ACTINOMYCIN
D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.83A 1unjL-3uscL:
undetectable		 1unjL-3uscL:
2.00
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.
1UNJ_L_DVAL8_0
(7-AMINO-ACTINOMYCIN
D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.81A 1unjL-3uscL:
undetectable		 1unjL-3uscL:
2.00
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.
1UNJ_R_DVAR2_0
(7-AMINO-ACTINOMYCIN
D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.83A 1unjR-3uscL:
undetectable		 1unjR-3uscL:
2.00
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.
1UNJ_R_DVAR8_0
(7-AMINO-ACTINOMYCIN
D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.78A 1unjR-3uscL:
undetectable		 1unjR-3uscL:
2.00
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.
1UNJ_X_DVAX2_0
(7-AMINO-ACTINOMYCIN
D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.83A 1unjX-3uscL:
undetectable		 1unjX-3uscL:
2.00
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.
1UNJ_X_DVAX8_0
(7-AMINO-ACTINOMYCIN
D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.81A 1unjX-3uscL:
undetectable		 1unjX-3uscL:
2.00
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.
1UNM_F_DVAF2_0
(7-AMINOACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.84A 1unmF-3uscL:
undetectable		 1unmF-3uscL:
2.00
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.
1UNM_F_DVAF8_0
(7-AMINOACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 532
THR L 533
PRO L 531
 FCO  L 601 (-3.7A)
None
FCO  L 601 (-3.5A)
 0.83A 1unmF-3uscL:
undetectable		 1unmF-3uscL:
2.00
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.
2AOF_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 5 LEU D 399
PRO D 395
ALA D 394
ILE D 392
 FCO  D 501 (-3.3A)
FCO  D 501 ( 3.8A)
FCO  D 501 (-3.6A)
None
 0.98A 2aofB-5xfaD:
undetectable		 2aofB-5xfaD:
12.33
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.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		5 / 12 ALA Q 472
ASP Q 114
PRO Q 498
GLY Q 384
ASP Q 473
 None
CSX  Q  75 ( 4.5A)
FCO  Q1550 (-3.5A)
None
None
 1.35A 2nv4B-4upeQ:
undetectable		 2nv4B-4upeQ:
12.73
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.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		4 / 6 ARG B 422
TYR B 114
THR B  80
ALA B  81
 FCO  B 500 (-4.2A)
None
H2S  B 503 (-4.1A)
H2S  B 503 (-3.5A)
 1.27A 2ql8A-3ze7B:
undetectable
2ql8B-3ze7B:
undetectable		 2ql8A-3ze7B:
18.18
2ql8B-3ze7B:
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.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 8 PRO D 395
PRO D  84
VAL D  85
SER D  86
 FCO  D 501 ( 3.8A)
None
None
None
 0.53A 2v32C-5xfaD:
undetectable
2v32D-5xfaD:
undetectable		 2v32C-5xfaD:
19.36
2v32D-5xfaD:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_C_BEZC1218_0
(PEROXIREDOXIN 6.)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 8 PRO D 395
PRO D  84
VAL D  85
SER D  86
 FCO  D 501 ( 3.8A)
None
None
None
 0.49A 2v41C-5xfaD:
undetectable
2v41D-5xfaD:
undetectable		 2v41C-5xfaD:
19.36
2v41D-5xfaD:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 8 PRO D 395
PRO D  84
VAL D  85
SER D  86
 FCO  D 501 ( 3.8A)
None
None
None
 0.55A 2v41C-5xfaD:
undetectable
2v41D-5xfaD:
undetectable		 2v41C-5xfaD:
19.36
2v41D-5xfaD:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 8 VAL D 120
SER D 123
ALA D 394
PRO D 312
 None
None
FCO  D 501 (-3.6A)
None
 1.10A 2v41G-5xfaD:
undetectable
2v41H-5xfaD:
undetectable		 2v41G-5xfaD:
19.36
2v41H-5xfaD:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 8 PRO D 395
PRO D  84
VAL D  85
SER D  86
 FCO  D 501 ( 3.8A)
None
None
None
 0.53A 2v41G-5xfaD:
undetectable
2v41H-5xfaD:
undetectable		 2v41G-5xfaD:
19.36
2v41H-5xfaD:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 2frv PERIPLASMIC
HYDROGENASE
(Desulfovibrio
gigas) 		4 / 7 PHE L 480
LEU L 466
ALA L  79
ALA L  57
 None
FCO  L 537 (-3.4A)
None
None
 1.02A 2vcvG-2frvL:
undetectable		 2vcvG-2frvL:
17.80
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.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 12 ALA L 414
THR L 532
GLY L 546
GLN L   8
PRO L 401
 None
FCO  L 601 (-3.7A)
None
None
None
 1.28A 2ve3B-3uscL:
0.8		 2ve3B-3uscL:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XNR_A_ACTA1001_0
(NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
3)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		3 / 3 SER L 112
ARG L 172
GLN L 111
 FCO  L 499 ( 4.8A)
None
None
 0.76A 2xnrA-1cc1L:
0.0		 2xnrA-1cc1L:
12.93
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.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		5 / 12 ALA D 178
SER D  86
PRO D  84
PRO D 395
GLY D 118
 None
None
None
FCO  D 501 ( 3.8A)
None
 1.03A 2zifB-5xfaD:
undetectable		 2zifB-5xfaD:
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.
3D91_A_REMA350_1
(RENIN)		 6ehs HYDROGENASE-2 LARGE
CHAIN
(Escherichia
coli) 		5 / 12 GLY L 378
SER L 502
THR L 503
SER L 483
ALA L 477
 None
FCO  L 601 (-2.8A)
None
None
FCO  L 601 (-3.6A)
 1.07A 3d91A-6ehsL:
undetectable		 3d91A-6ehsL:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NK2_X_LDPX433_1
(6-HYDROXY-L-NICOTINE
OXIDASE)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 7 TYR Q 376
LEU Q 479
LEU Q 290
TRP Q 482
 None
FCO  Q1550 (-3.4A)
None
None
 1.11A 3nk2X-4upeQ:
undetectable		 3nk2X-4upeQ:
22.50
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.
3RQ4_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2)		 5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		5 / 12 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.17A 3rq4A-5xfaC:
undetectable		 3rq4A-5xfaC:
20.08
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.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		5 / 12 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.20A 3s8pB-5xfaC:
undetectable		 3s8pB-5xfaC:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 12 LEU L 114
THR L 532
THR L 533
ILE L 398
ILE L  75
 None
FCO  L 601 (-3.7A)
None
None
None
 1.15A 3sp9A-3uscL:
undetectable		 3sp9A-3uscL:
17.24
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 12 LEU L 114
THR L 532
THR L 533
ILE L 398
VAL L  78
 None
FCO  L 601 (-3.7A)
None
None
3NI  L 602 ( 4.8A)
 1.20A 3sp9A-3uscL:
undetectable		 3sp9A-3uscL:
17.24
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.
3SUE_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		5 / 12 PHE L 420
GLY L 419
ARG L 425
GLY L 252
ALA L 423
 None
None
FCO  L 499 (-4.1A)
None
FCO  L 499 (-3.1A)
 1.14A 3sueD-1cc1L:
undetectable		 3sueD-1cc1L:
18.43
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.
3SUE_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		5 / 12 PHE B 417
GLY B 416
ARG B 422
GLY B 249
ALA B 420
 None
None
FCO  B 500 (-4.2A)
None
FCO  B 500 (-3.2A)
 1.08A 3sueD-3ze7B:
undetectable		 3sueD-3ze7B:
18.33
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.
4BUP_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		5 / 12 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.18A 4bupA-5xfaC:
undetectable		 4bupA-5xfaC:
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.
4EMA_A_BRLA601_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		5 / 12 CYH L 492
HIS L 498
HIS L  77
LEU L 428
LEU L 449
 NI  L 500 (-2.4A)
FE2  L 501 (-3.5A)
FCO  L 499 (-3.9A)
FCO  L 499 (-3.5A)
None
 1.35A 4emaA-1cc1L:
undetectable		 4emaA-1cc1L:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.78A 4hivD-3uscL:
undetectable		 4hivD-3uscL:
2.00
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.
4QVL_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.31A 4qvlV-3uscL:
undetectable
4qvlb-3uscL:
undetectable		 4qvlV-3uscL:
17.26
4qvlb-3uscL:
15.66
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.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.31A 4qvlH-3uscL:
undetectable
4qvlN-3uscL:
undetectable		 4qvlH-3uscL:
17.26
4qvlN-3uscL:
15.66
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.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.31A 4qvmV-3uscL:
undetectable
4qvmb-3uscL:
undetectable		 4qvmV-3uscL:
17.26
4qvmb-3uscL:
15.66
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.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.31A 4qvmH-3uscL:
undetectable
4qvmN-3uscL:
undetectable		 4qvmH-3uscL:
17.26
4qvmN-3uscL:
15.66
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.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.32A 4qvpV-3uscL:
undetectable
4qvpb-3uscL:
undetectable		 4qvpV-3uscL:
17.26
4qvpb-3uscL:
15.66
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.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.33A 4qvpH-3uscL:
undetectable
4qvpN-3uscL:
undetectable		 4qvpH-3uscL:
17.26
4qvpN-3uscL:
15.66
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.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.30A 4qvqV-3uscL:
undetectable
4qvqb-3uscL:
undetectable		 4qvqV-3uscL:
17.26
4qvqb-3uscL:
15.66
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.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.31A 4qvqH-3uscL:
undetectable
4qvqN-3uscL:
undetectable		 4qvqH-3uscL:
17.26
4qvqN-3uscL:
15.66
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.
4QVW_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.32A 4qvwV-3uscL:
undetectable
4qvwb-3uscL:
undetectable		 4qvwV-3uscL:
17.26
4qvwb-3uscL:
15.66
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.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.32A 4qvwH-3uscL:
undetectable
4qvwN-3uscL:
undetectable		 4qvwH-3uscL:
17.26
4qvwN-3uscL:
15.66
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.
4QW0_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.31A 4qw0V-3uscL:
undetectable
4qw0b-3uscL:
undetectable		 4qw0V-3uscL:
17.26
4qw0b-3uscL:
15.66
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.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.30A 4qw0H-3uscL:
undetectable
4qw0N-3uscL:
undetectable		 4qw0H-3uscL:
17.26
4qw0N-3uscL:
15.66
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.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.32A 4qw1H-3uscL:
undetectable
4qw1N-3uscL:
undetectable		 4qw1H-3uscL:
17.26
4qw1N-3uscL:
15.66
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.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.31A 4qw3V-3uscL:
undetectable
4qw3b-3uscL:
undetectable		 4qw3V-3uscL:
17.26
4qw3b-3uscL:
15.66
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.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.31A 4qw3H-3uscL:
undetectable
4qw3N-3uscL:
undetectable		 4qw3H-3uscL:
17.26
4qw3N-3uscL:
15.66
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.
4XI3_C_29SC601_2
(ESTROGEN RECEPTOR)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		4 / 6 ASP B  91
GLU B  92
ILE B 441
HIS B  82
 None
None
FE2  B 502 (-4.6A)
FCO  B 500 (-4.3A)
 1.03A 4xi3C-3ze7B:
undetectable		 4xi3C-3ze7B:
18.03
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.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.28A 5bxnV-3uscL:
undetectable
5bxnb-3uscL:
undetectable		 5bxnV-3uscL:
16.76
5bxnb-3uscL:
15.66
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.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.30A 5bxnH-3uscL:
undetectable
5bxnN-3uscL:
undetectable		 5bxnH-3uscL:
16.76
5bxnN-3uscL:
15.66
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.
5CPR_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		5 / 12 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.24A 5cprB-5xfaC:
undetectable		 5cprB-5xfaC:
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.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.32A 5cz7H-3uscL:
undetectable
5cz7N-3uscL:
undetectable		 5cz7H-3uscL:
17.26
5cz7N-3uscL:
15.66
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.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.30A 5d0xV-3uscL:
undetectable
5d0xb-3uscL:
undetectable		 5d0xV-3uscL:
17.26
5d0xb-3uscL:
15.66
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.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.30A 5d0xH-3uscL:
undetectable
5d0xN-3uscL:
undetectable		 5d0xH-3uscL:
17.26
5d0xN-3uscL:
15.66
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.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		4 / 4 THR L 421
LEU L 428
HIS L  77
GLY L 426
 None
FCO  L 499 (-3.5A)
FCO  L 499 (-3.9A)
None
 1.24A 5gwyA-1cc1L:
0.0		 5gwyA-1cc1L:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		4 / 4 THR B 418
LEU B 425
HIS B  82
GLY B 423
 None
FCO  B 500 (-3.5A)
FCO  B 500 (-4.3A)
None
 1.30A 5gwyA-3ze7B:
undetectable		 5gwyA-3ze7B:
21.49
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.
5HPU_C_IPHC101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 6 LEU D 399
CYH D 414
HIS D 402
LEU D 416
 FCO  D 501 (-3.3A)
None
None
None
 1.03A 5hpuC-5xfaD:
undetectable
5hpuD-5xfaD:
undetectable		 5hpuC-5xfaD:
4.96
5hpuD-5xfaD:
12.77
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.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		3 / 3 ARG L 425
PRO L 424
ASN L 108
 FCO  L 499 (-4.1A)
FCO  L 499 ( 3.5A)
H2S  L 502 (-4.0A)
 0.98A 5jwaA-1cc1L:
0.0
5jwaH-1cc1L:
0.0		 5jwaA-1cc1L:
23.08
5jwaH-1cc1L:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		3 / 3 ARG B 422
PRO B 421
ASN B 113
 FCO  B 500 (-4.2A)
FCO  B 500 ( 3.6A)
H2S  B 503 (-4.1A)
 0.93A 5jwaA-3ze7B:
undetectable
5jwaH-3ze7B:
undetectable		 5jwaA-3ze7B:
22.80
5jwaH-3ze7B:
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.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 12 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.28A 5l5zV-3uscL:
undetectable
5l5zb-3uscL:
undetectable		 5l5zV-3uscL:
17.26
5l5zb-3uscL:
15.66
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.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 12 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.28A 5l5zH-3uscL:
undetectable
5l5zN-3uscL:
undetectable		 5l5zH-3uscL:
17.26
5l5zN-3uscL:
15.66
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.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.29A 5l66V-3uscL:
undetectable
5l66b-3uscL:
undetectable		 5l66V-3uscL:
17.26
5l66b-3uscL:
15.66
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.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3usc HYDROGENASE-1 LARGE
CHAIN
(Escherichia
coli) 		5 / 11 HIS L 582
THR L 532
THR L 533
GLY L  29
ALA L 578
 MG  L 603 (-3.5A)
FCO  L 601 (-3.7A)
None
None
None
 1.28A 5l66H-3uscL:
undetectable
5l66N-3uscL:
undetectable		 5l66H-3uscL:
17.26
5l66N-3uscL:
15.66
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.
5O96_E_SAME501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		5 / 9 LEU B 490
GLY B  50
SER B 445
LEU B  47
ARG B  46
 None
None
FCO  B 500 (-2.8A)
None
None
 1.29A 5o96E-3ze7B:
undetectable
5o96F-3ze7B:
undetectable		 5o96E-3ze7B:
19.42
5o96F-3ze7B:
19.42
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.
5TT3_H_EZLH303_1
(ALPHA-CARBONIC
ANHYDRASE)		 6ehs HYDROGENASE-2 LARGE
CHAIN
(Escherichia
coli) 		4 / 8 HIS L  99
LEU L  70
THR L  67
ALA L  69
 None
None
FCO  L 601 (-4.2A)
None
 0.88A 5tt3H-6ehsL:
undetectable		 5tt3H-6ehsL:
16.88
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		5 / 12 CYH L 492
HIS L 498
HIS L  77
LEU L 428
LEU L 449
 NI  L 500 (-2.4A)
FE2  L 501 (-3.5A)
FCO  L 499 (-3.9A)
FCO  L 499 (-3.5A)
None
 1.31A 5y2oA-1cc1L:
0.0		 5y2oA-1cc1L:
11.34
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		5 / 12 CYH B 489
HIS B 495
HIS B  82
LEU B 425
LEU B 446
 NI  B 501 ( 2.2A)
FE2  B 502 (-3.5A)
FCO  B 500 (-4.3A)
FCO  B 500 (-3.5A)
None
 1.35A 5y2oA-3ze7B:
undetectable		 5y2oA-3ze7B:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		5 / 12 PHE B 417
GLY B 416
ARG B 422
GLY B 249
ALA B 420
 None
None
FCO  B 500 (-4.2A)
None
FCO  B 500 (-3.2A)
 1.11A 6c2mA-3ze7B:
undetectable		 6c2mA-3ze7B:
9.73
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		5 / 12 PHE L 420
GLY L 419
ARG L 425
GLY L 252
ALA L 423
 None
None
FCO  L 499 (-4.1A)
None
FCO  L 499 (-3.1A)
 1.15A 6c2mB-1cc1L:
0.0		 6c2mB-1cc1L:
11.76