SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CYN'


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)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.74A 1a7yA-3ayxA:
undetectable		 1a7yA-3ayxA:
1.96
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.
1A7Y_B_DVAB8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.83A 1a7yB-3ayxA:
undetectable		 1a7yB-3ayxA:
1.96
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.
1C9S_C_TRPC81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.18A 1c9sB-3i04A:
undetectable
1c9sC-3i04A:
undetectable		 1c9sB-3i04A:
7.87
1c9sC-3i04A:
7.87
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.
1C9S_C_TRPC81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 1c9sB-3i04A:
undetectable
1c9sC-3i04A:
undetectable		 1c9sB-3i04A:
7.87
1c9sC-3i04A:
7.87
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.
1C9S_H_TRPH81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 1c9sG-3i04A:
undetectable
1c9sH-3i04A:
undetectable		 1c9sG-3i04A:
7.87
1c9sH-3i04A:
7.87
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.
1C9S_H_TRPH81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 1c9sG-3i04A:
undetectable
1c9sH-3i04A:
undetectable		 1c9sG-3i04A:
7.87
1c9sH-3i04A:
7.87
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.
1DZ4_A_CAMA502_0
(CYTOCHROME P450-CAM)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.13A 1dz4A-2wy4A:
undetectable		 1dz4A-2wy4A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ4_B_CAMB502_0
(CYTOCHROME P450-CAM)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.13A 1dz4B-2wy4A:
undetectable		 1dz4B-2wy4A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ6_A_CAMA502_0
(CYTOCHROME P450-CAM)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 5 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.11A 1dz6A-2wy4A:
undetectable		 1dz6A-2wy4A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 10 GLY L 297
VAL L 383
ILE S  47
TYR S  51
GLY L 301
 CYN  L 429 ( 3.7A)
None
None
None
None
 1.20A 1fohA-1hfeL:
undetectable		 1fohA-1hfeL:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 10 GLY L 297
VAL L 383
ILE S  47
TYR S  51
GLY L 301
 CYN  L 429 ( 3.7A)
None
None
None
None
 1.21A 1fohB-1hfeL:
0.0		 1fohB-1hfeL:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 10 GLY L 297
VAL L 383
ILE S  47
TYR S  51
GLY L 301
 CYN  L 429 ( 3.7A)
None
None
None
None
 1.18A 1fohC-1hfeL:
0.0		 1fohC-1hfeL:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 10 GLY L 297
VAL L 383
ILE S  47
TYR S  51
GLY L 301
 CYN  L 429 ( 3.7A)
None
None
None
None
 1.17A 1fohD-1hfeL:
0.0		 1fohD-1hfeL:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FSL_A_NIOA145_1
(LEGHEMOGLOBIN A)		 1dly HEMOGLOBIN
(Chlamydomonas
moewusii) 		5 / 8 PHE A  19
TYR A  20
ILE A  23
PHE A  33
VAL A  83
 None
CYN  A 122 (-4.3A)
None
HEM  A 144 ( 4.4A)
HEM  A 144 (-4.3A)
 0.94A 1fslA-1dlyA:
8.2		 1fslA-1dlyA:
24.16
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.
1FSL_A_NIOA145_1
(LEGHEMOGLOBIN A)		 1uvx GLOBIN LI637
(Chlamydomonas
moewusii) 		4 / 8 PHE A  19
TYR A  20
ILE A  23
VAL A  83
 XE  A1126 ( 4.2A)
CYN  A1123 (-4.9A)
None
HEM  A1122 (-4.5A)
 0.80A 1fslA-1uvxA:
8.2		 1fslA-1uvxA:
23.38
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.
1FSL_B_NIOB145_1
(LEGHEMOGLOBIN A)		 1dly HEMOGLOBIN
(Chlamydomonas
moewusii) 		4 / 8 PHE A  19
TYR A  20
ILE A  23
VAL A  83
 None
CYN  A 122 (-4.3A)
None
HEM  A 144 (-4.3A)
 0.58A 1fslB-1dlyA:
8.6		 1fslB-1dlyA:
24.16
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.
1FSL_B_NIOB145_1
(LEGHEMOGLOBIN A)		 1uvx GLOBIN LI637
(Chlamydomonas
moewusii) 		4 / 8 PHE A  19
TYR A  20
ILE A  23
VAL A  83
 XE  A1126 ( 4.2A)
CYN  A1123 (-4.9A)
None
HEM  A1122 (-4.5A)
 0.72A 1fslB-1uvxA:
8.5		 1fslB-1uvxA:
23.38
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.
1GTF_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 1gtfC-3i04A:
undetectable
1gtfD-3i04A:
undetectable		 1gtfC-3i04A:
7.87
1gtfD-3i04A:
7.87
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.
1GTF_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 1gtfC-3i04A:
undetectable
1gtfD-3i04A:
undetectable		 1gtfC-3i04A:
7.87
1gtfD-3i04A:
7.87
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.
1GTF_H_TRPH81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.14A 1gtfG-3i04A:
undetectable
1gtfH-3i04A:
undetectable		 1gtfG-3i04A:
7.87
1gtfH-3i04A:
7.87
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.
1GTF_H_TRPH81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.30A 1gtfG-3i04A:
undetectable
1gtfH-3i04A:
undetectable		 1gtfG-3i04A:
7.87
1gtfH-3i04A:
7.87
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.
1GTF_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 GLY A 117
HIS A 113
HIS A 246
ILE A 120
ARG A 555
 None
CYN  A 900 (-4.1A)
None
None
None
 1.22A 1gtfU-3i04A:
undetectable
1gtfV-3i04A:
undetectable		 1gtfU-3i04A:
7.87
1gtfV-3i04A:
7.87
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.
1GTF_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 GLY A 117
HIS A 113
THR A 249
HIS A 246
ARG A 555
 None
CYN  A 900 (-4.1A)
None
None
None
 1.35A 1gtfU-3i04A:
undetectable
1gtfV-3i04A:
undetectable		 1gtfU-3i04A:
7.87
1gtfV-3i04A:
7.87
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.
1GYX_A_BEZA1077_0
(HYPOTHETICAL PROTEIN
YDCE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 CYH A 140
TYR A 107
PRO A 137
SER A 109
 MO  A 810 ( 2.1A)
None
CYN  A 813 ( 4.6A)
None
 1.34A 1gyxA-2jirA:
0.0
1gyxB-2jirA:
0.0		 1gyxA-2jirA:
7.99
1gyxB-2jirA:
7.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.73A 1i3wE-3ayxA:
undetectable		 1i3wE-3ayxA:
1.96
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.
1I3W_E_DVAE8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.78A 1i3wE-3ayxA:
undetectable		 1i3wE-3ayxA:
1.96
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.
1I3W_F_DVAF8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.73A 1i3wF-3ayxA:
undetectable		 1i3wF-3ayxA:
1.96
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.
1I3W_G_DVAG2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.78A 1i3wG-3ayxA:
undetectable		 1i3wG-3ayxA:
1.96
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.
1I3W_G_DVAG8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.81A 1i3wG-3ayxA:
undetectable		 1i3wG-3ayxA:
1.96
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.
1I3W_H_DVAH8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.81A 1i3wH-3ayxA:
undetectable		 1i3wH-3ayxA:
1.96
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.
1MNV_D_DVAD2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.75A 1mnvD-3ayxA:
undetectable		 1mnvD-3ayxA:
1.96
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.
1MNV_D_DVAD8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.73A 1mnvD-3ayxA:
undetectable		 1mnvD-3ayxA:
1.96
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 9 GLY A 472
PRO A 137
GLY A 110
GLY A 356
GLY A 357
 None
CYN  A 813 ( 4.6A)
None
None
None
 1.20A 1mxdA-2jirA:
undetectable		 1mxdA-2jirA:
19.75
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.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.75A 1ovfB-3ayxA:
undetectable		 1ovfB-3ayxA:
1.96
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.
1PN0_A_IPHA6012_0
(PHENOL
2-MONOOXYGENASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 10 GLY L 297
VAL L 383
ILE S  47
TYR S  51
GLY L 301
 CYN  L 429 ( 3.7A)
None
None
None
None
 1.22A 1pn0A-1hfeL:
undetectable		 1pn0A-1hfeL:
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.
1PN0_B_IPHB6022_0
(PHENOL
2-MONOOXYGENASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 10 GLY L 297
VAL L 383
ILE S  47
TYR S  51
GLY L 301
 CYN  L 429 ( 3.7A)
None
None
None
None
 1.22A 1pn0B-1hfeL:
0.0		 1pn0B-1hfeL:
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.
1PN0_C_IPHC6032_0
(PHENOL
2-MONOOXYGENASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 10 GLY L 297
VAL L 383
ILE S  47
TYR S  51
GLY L 301
 CYN  L 429 ( 3.7A)
None
None
None
None
 1.20A 1pn0C-1hfeL:
0.0		 1pn0C-1hfeL:
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.
1PN0_D_IPHD6042_0
(PHENOL
2-MONOOXYGENASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 10 GLY L 297
VAL L 383
ILE S  47
TYR S  51
GLY L 301
 CYN  L 429 ( 3.7A)
None
None
None
None
 1.20A 1pn0D-1hfeL:
0.0		 1pn0D-1hfeL:
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.
1Q23_C_FUAC701_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1b0b HEMOGLOBIN
(Phacoides
pectinatus) 		5 / 12 PHE A  92
PHE A  29
LEU A  32
VAL A 112
VAL A  39
 HEM  A 144 (-4.4A)
CYN  A 145 (-4.4A)
None
None
HEM  A 144 ( 3.6A)
 1.15A 1q23C-1b0bA:
undetectable		 1q23C-1b0bA:
23.44
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.
1Q23_L_FUAL710_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1b0b HEMOGLOBIN
(Phacoides
pectinatus) 		5 / 11 PHE A  92
PHE A  29
LEU A  32
VAL A 112
VAL A  39
 HEM  A 144 (-4.4A)
CYN  A 145 (-4.4A)
None
None
HEM  A 144 ( 3.6A)
 1.20A 1q23L-1b0bA:
undetectable		 1q23L-1b0bA:
23.44
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.
1QFI_A_DVAA8_0
(ACTINOMYCIN X2)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.72A 1qfiA-3ayxA:
undetectable		 1qfiA-3ayxA:
1.96
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.
1QFI_B_DVAB8_0
(ACTINOMYCIN X2)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.85A 1qfiB-3ayxA:
undetectable		 1qfiB-3ayxA:
1.96
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.
1T88_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 5 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.08A 1t88B-2wy4A:
undetectable		 1t88B-2wy4A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 3nn2 CHLORITE DISMUTASE
(Nitrospira
defluvii) 		4 / 7 HIS A 177
LEU A 175
TYR A 110
ILE A 139
 None
CYN  A 245 ( 4.0A)
PO4  A 240 ( 4.4A)
HEM  A 239 (-3.8A)
 1.11A 1tuvA-3nn2A:
5.1		 1tuvA-3nn2A:
18.75
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.80A 1unjF-3ayxA:
undetectable		 1unjF-3ayxA:
1.96
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.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.74A 1unjF-3ayxA:
undetectable		 1unjF-3ayxA:
1.96
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.
1UNJ_L_DVAL2_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.86A 1unjL-3ayxA:
undetectable		 1unjL-3ayxA:
1.96
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.
1UNJ_L_DVAL8_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.83A 1unjL-3ayxA:
undetectable		 1unjL-3ayxA:
1.96
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.
1UNJ_R_DVAR2_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.86A 1unjR-3ayxA:
undetectable		 1unjR-3ayxA:
1.96
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.
1UNJ_R_DVAR8_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.81A 1unjR-3ayxA:
undetectable		 1unjR-3ayxA:
1.96
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.
1UNJ_X_DVAX2_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.86A 1unjX-3ayxA:
undetectable		 1unjX-3ayxA:
1.96
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.
1UNJ_X_DVAX8_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.83A 1unjX-3ayxA:
undetectable		 1unjX-3ayxA:
1.96
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.
1UNM_F_DVAF2_0
(7-AMINOACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.85A 1unmF-3ayxA:
undetectable		 1unmF-3ayxA:
1.96
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.
1UNM_F_DVAF8_0
(7-AMINOACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.85A 1unmF-3ayxA:
undetectable		 1unmF-3ayxA:
1.96
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.
1UTD_M_TRPM81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 GLY A 117
HIS A 113
HIS A 246
ILE A 120
ARG A 555
 None
CYN  A 900 (-4.1A)
None
None
None
 1.22A 1utdM-3i04A:
undetectable
1utdN-3i04A:
undetectable		 1utdM-3i04A:
7.87
1utdN-3i04A:
7.87
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.
1UTD_M_TRPM81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 GLY A 117
HIS A 113
THR A 249
HIS A 246
ARG A 555
 None
CYN  A 900 (-4.1A)
None
None
None
 1.36A 1utdM-3i04A:
undetectable
1utdN-3i04A:
undetectable		 1utdM-3i04A:
7.87
1utdN-3i04A:
7.87
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.
1XLS_A_9CRA801_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1emy MYOGLOBIN
(Elephas
maximus) 		5 / 12 ILE A 107
ALA A 110
PHE A  29
LEU A  32
LEU A  72
 HEM  A 154 ( 3.9A)
None
CYN  A 155 ( 4.9A)
None
HEM  A 154 ( 4.3A)
 0.93A 1xlsA-1emyA:
undetectable		 1xlsA-1emyA:
25.44
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.
1XLS_C_9CRC803_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1emy MYOGLOBIN
(Elephas
maximus) 		5 / 12 ILE A 107
ALA A 110
PHE A  29
LEU A  32
LEU A  72
 HEM  A 154 ( 3.9A)
None
CYN  A 155 ( 4.9A)
None
HEM  A 154 ( 4.3A)
 0.93A 1xlsC-1emyA:
undetectable		 1xlsC-1emyA:
25.44
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.
1XLS_D_9CRD804_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1emy MYOGLOBIN
(Elephas
maximus) 		5 / 12 ILE A 107
ALA A 110
PHE A  29
LEU A  32
LEU A  72
 HEM  A 154 ( 3.9A)
None
CYN  A 155 ( 4.9A)
None
HEM  A 154 ( 4.3A)
 0.93A 1xlsD-1emyA:
undetectable		 1xlsD-1emyA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CIZ_A_ACTA1320_0
(CHLOROPEROXIDASE)		 2ciy CHLOROPEROXIDASE
(Leptoxyphium
fumago) 		6 / 6 ALA A  71
PHE A 103
ILE A 179
VAL A 182
GLU A 183
PHE A 186
 HEM  A 396 (-3.6A)
DMS  A3036 (-3.8A)
DMS  A3036 (-4.8A)
MAN  A 741 ( 4.3A)
CYN  A1802 ( 3.6A)
HEM  A 396 ( 4.0A)
 0.24A 2cizA-2ciyA:
53.5		 2cizA-2ciyA:
100.00
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.
2FEU_A_CAMA1420_0
(CYTOCHROME P450-CAM)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.07A 2feuA-2wy4A:
undetectable		 2feuA-2wy4A:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2M56_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 5 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.10A 2m56A-2wy4A:
undetectable		 2m56A-2wy4A:
15.80
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.
2OXT_C_SAMC300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		4 / 4 SER A 211
GLY A 207
HIS A 113
ASP A 552
 None
None
CYN  A 900 (-4.1A)
None
 1.18A 2oxtC-3i04A:
2.7		 2oxtC-3i04A:
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.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 12 GLY L 297
GLY L 381
VAL L 302
GLY L 301
TYR S  51
 CYN  L 429 ( 3.7A)
SF4  L 424 ( 4.4A)
None
None
None
 0.87A 2qe6A-1hfeL:
undetectable		 2qe6A-1hfeL:
20.74
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.
2QHF_A_ACTA509_0
(CHORISMATE SYNTHASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A  14
GLN A 346
PRO A 347
 MGD  A 811 (-4.2A)
CYN  A 813 (-4.0A)
None
 0.99A 2qhfA-2jirA:
undetectable		 2qhfA-2jirA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QQT_A_AINA596_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		4 / 6 HIS A  95
ARG C 239
GLU C 242
PHE C 366
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.66A 2qqtA-1d7wA:
3.3		 2qqtA-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QQT_A_AINA596_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		4 / 6 HIS A  95
ARG C 239
GLU C 242
PRO C 220
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 1.24A 2qqtA-1d7wA:
3.3		 2qqtA-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ROX_A_T44A128_1
(TRANSTHYRETIN)		 1jl7 MONOMER HEMOGLOBIN
COMPONENT III
(Glycera
dibranchiata) 		4 / 4 LYS A  61
LEU A  58
ALA A  60
LEU A  31
 None
CYN  A 149 ( 3.5A)
None
None
 1.46A 2roxA-1jl7A:
undetectable		 2roxA-1jl7A:
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.
2YLG_A_ASCA130_0
(CYTOCHROME C')		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		4 / 5 ALA A 588
GLY A 499
CYH A 550
HIS A 113
 CYN  A 900 ( 4.8A)
XCC  A 800 ( 4.1A)
XCC  A 800 ( 2.1A)
CYN  A 900 (-4.1A)
 1.45A 2ylgA-3i04A:
undetectable		 2ylgA-3i04A:
12.08
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.
2ZAW_A_CAMA422_0
(CYTOCHROME P450-CAM)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.18A 2zawA-2wy4A:
undetectable		 2zawA-2wy4A:
16.83
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.
3AX9_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		4 / 8 GLU A 156
PHE A 296
ALA A 306
ALA A 305
 None
CYN  A   7 ( 4.2A)
None
None
 1.00A 3ax9B-1e08A:
0.0		 3ax9B-1e08A:
14.66
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.
3DZU_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1emy MYOGLOBIN
(Elephas
maximus) 		5 / 12 ILE A 107
ALA A 110
PHE A  29
LEU A  32
LEU A  72
 HEM  A 154 ( 3.9A)
None
CYN  A 155 ( 4.9A)
None
HEM  A 154 ( 4.3A)
 1.01A 3dzuA-1emyA:
undetectable		 3dzuA-1emyA:
17.29
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.
3EL4_A_ROCA100_2
(PROTEASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)
(Desulfovibrio
desulfuricans) 		5 / 9 ALA A 113
VAL A 298
ILE D  47
GLY D  49
THR A 294
 None
None
None
None
CYN  A   8 ( 3.9A)
 1.12A 3el4B-1e08A:
undetectable		 3el4B-1e08A:
13.75
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.
3FWG_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.07A 3fwgA-2wy4A:
undetectable		 3fwgA-2wy4A:
15.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		4 / 6 HIS A  95
ARG C 239
GLU C 242
PHE C 366
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.72A 3gclA-1d7wA:
undetectable		 3gclA-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		4 / 6 HIS A  95
ARG C 239
GLU C 242
PRO C 220
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 1.18A 3gclA-1d7wA:
undetectable		 3gclA-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 MET A 141
ASN A 311
GLY A 309
LEU A 305
ILE A 323
 CYN  A 813 (-4.5A)
None
MGD  A 812 (-3.2A)
None
None
 1.21A 3h52A-2jirA:
undetectable		 3h52A-2jirA:
17.22
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		4 / 6 GLU A 156
PHE A 296
ALA A 306
ALA A 305
 None
CYN  A   7 ( 4.2A)
None
None
 0.93A 3ns1C-1e08A:
undetectable		 3ns1C-1e08A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NS1_L_PM6L1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		4 / 8 GLU A 156
PHE A 296
ALA A 306
ALA A 305
 None
CYN  A   7 ( 4.2A)
None
None
 0.95A 3ns1L-1e08A:
0.0		 3ns1L-1e08A:
18.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGW_A_IMNA597_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		7 / 9 GLN A  91
HIS A  95
PHE A  99
GLU A 102
ARG C 239
GLU C 242
PHE C 366
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.9A)
None
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.73A 3ogwA-1d7wA:
3.7		 3ogwA-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGW_A_IMNA597_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		7 / 9 GLN A  91
HIS A  95
PHE A  99
GLU A 102
ARG C 239
GLU C 242
PHE C 407
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.9A)
None
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-4.5A)
 1.44A 3ogwA-1d7wA:
3.7		 3ogwA-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		5 / 12 PHE A  27
TYR A  28
LEU A 101
ALA A 122
TYR A 123
 None
CYN  A 151 (-4.7A)
None
None
None
 0.29A 3ozuA-2wy4A:
18.2		 3ozuA-2wy4A:
18.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PY4_A_TYLA598_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		5 / 5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
PHE C 366
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.41A 3py4A-1d7wA:
2.6		 3py4A-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PY4_A_TYLA598_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		5 / 5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
PHE C 407
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-4.5A)
 1.31A 3py4A-1d7wA:
2.6		 3py4A-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QF1_A_PZEA6951_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		3 / 3 HIS A  95
ARG C 239
GLU C 242
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
 0.43A 3qf1A-1d7wA:
undetectable		 3qf1A-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		6 / 7 GLN A  91
HIS A  95
ARG C 239
GLU C 242
PHE C 366
PRO C 220
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
None
 1.34A 3ql6A-1d7wA:
undetectable		 3ql6A-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		6 / 7 GLN A  91
HIS A  95
GLU A 102
ARG C 239
GLU C 242
PHE C 366
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
None
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.69A 3ql6A-1d7wA:
undetectable		 3ql6A-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		6 / 7 GLN A  91
HIS A  95
GLU A 102
ARG C 239
GLU C 242
PHE C 407
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
None
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-4.5A)
 1.38A 3ql6A-1d7wA:
undetectable		 3ql6A-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
(Desulfovibrio
vulgaris) 		4 / 7 GLN L 174
GLU L 240
GLU L 156
PRO L 203
 None
None
None
CYN  L 428 ( 3.6A)
 1.38A 3ql6A-1hfeL:
0.0		 3ql6A-1hfeL:
21.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R4X_A_PZAA597_0
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
MYELOPEROXIDASE
(Homo
sapiens;
Homo
sapiens) 		5 / 5 GLN A  91
ASP A  94
HIS A  95
ARG C 239
GLU C 242
 HEM  A 605 ( 3.4A)
HEM  A 605 (-2.1A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
 0.36A 3r4xA-1d7wA:
undetectable		 3r4xA-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R55_A_PZAA597_0
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
MYELOPEROXIDASE
(Homo
sapiens;
Homo
sapiens) 		5 / 5 GLN A  91
ASP A  94
HIS A  95
ARG C 239
GLU C 242
 HEM  A 605 ( 3.4A)
HEM  A 605 (-2.1A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
 0.33A 3r55A-1d7wA:
undetectable		 3r55A-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 LEU A 114
THR A 546
THR A 547
ILE A 398
ILE A  75
 None
CYN  A 605 (-3.7A)
None
None
None
 1.18A 3sp9A-3ayxA:
undetectable		 3sp9A-3ayxA:
17.70
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 LEU A 114
THR A 546
THR A 547
ILE A 398
VAL A  78
 None
CYN  A 605 (-3.7A)
None
None
O  A 609 ( 4.7A)
 1.23A 3sp9A-3ayxA:
undetectable		 3sp9A-3ayxA:
17.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TGY_A_ASCA800_0
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
MYELOPEROXIDASE
(Homo
sapiens;
Homo
sapiens) 		4 / 4 HIS A  95
ARG C 239
GLU C 242
PHE C 366
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.31A 3tgyA-1d7wA:
undetectable		 3tgyA-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TGY_A_ASCA800_0
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
MYELOPEROXIDASE
(Homo
sapiens;
Homo
sapiens) 		4 / 4 HIS A  95
ARG C 239
GLU C 242
PHE C 407
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-4.5A)
 1.10A 3tgyA-1d7wA:
undetectable		 3tgyA-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 1emy MYOGLOBIN
(Elephas
maximus) 		4 / 7 ILE A  99
PHE A  29
PHE A  33
LEU A  32
 HEM  A 154 (-4.1A)
CYN  A 155 ( 4.9A)
None
None
 0.86A 3v7pA-1emyA:
undetectable		 3v7pA-1emyA:
17.21
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.
3WRH_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.10A 3wrhE-2wy4A:
undetectable		 3wrhE-2wy4A:
16.83
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.
3WRJ_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.09A 3wrjE-2wy4A:
undetectable		 3wrjE-2wy4A:
16.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZJQ_A_NCAA300_0
(PROTOGLOBIN)		 3zjl PROTOGLOBIN
(Methanosarcina
acetivorans) 		6 / 7 TYR A  61
VAL A  64
PHE A  74
VAL A  89
PHE A  93
ILE A 149
 CYN  A 201 (-4.5A)
None
HEM  A 200 (-3.5A)
HEM  A 200 (-4.5A)
CYN  A 201 ( 4.5A)
HEM  A 200 ( 4.6A)
 0.71A 3zjqA-3zjlA:
34.0		 3zjqA-3zjlA:
99.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZJQ_B_NCAB300_0
(PROTOGLOBIN)		 3zjl PROTOGLOBIN
(Methanosarcina
acetivorans) 		6 / 7 TYR A  61
VAL A  64
PHE A  74
VAL A  89
PHE A  93
ILE A 149
 CYN  A 201 (-4.5A)
None
HEM  A 200 (-3.5A)
HEM  A 200 (-4.5A)
CYN  A 201 ( 4.5A)
HEM  A 200 ( 4.6A)
 0.69A 3zjqB-3zjlA:
34.5		 3zjqB-3zjlA:
99.49
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.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 1emy MYOGLOBIN
(Elephas
maximus) 		5 / 12 GLN A  64
PHE A  29
ARG A 139
ILE A 107
HIS A  97
 CYN  A 155 (-3.8A)
CYN  A 155 ( 4.9A)
None
HEM  A 154 ( 3.9A)
HEM  A 154 (-3.5A)
 1.21A 4c49D-1emyA:
undetectable		 4c49D-1emyA:
19.14
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 1hlm HEMOGLOBIN (CYANO
MET)
(Molpadia
arenicola) 		4 / 7 PHE A  53
VAL A 109
PHE A  39
ASN A 113
 HEM  A 159 (-4.4A)
HEM  A 159 (-3.7A)
CYN  A 160 (-4.7A)
HEM  A 159 ( 4.1A)
 0.95A 4ejjB-1hlmA:
undetectable		 4ejjB-1hlmA:
15.06
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.
4EK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.08A 4ek1A-2wy4A:
undetectable		 4ek1A-2wy4A:
15.87
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 1dly HEMOGLOBIN
(Chlamydomonas
moewusii) 		5 / 12 PHE A  19
TYR A  20
PHE A  33
VAL A  83
LEU A  87
 None
CYN  A 122 (-4.3A)
HEM  A 144 ( 4.4A)
HEM  A 144 (-4.3A)
None
 0.88A 4g1bA-1dlyA:
10.2		 4g1bA-1dlyA:
18.25
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 1uvx GLOBIN LI637
(Chlamydomonas
moewusii) 		5 / 12 PHE A  19
TYR A  20
PHE A  33
VAL A  83
LEU A  87
 XE  A1126 ( 4.2A)
CYN  A1123 (-4.9A)
HEM  A1122 ( 4.1A)
HEM  A1122 (-4.5A)
XE  A1126 (-3.7A)
 0.88A 4g1bA-1uvxA:
10.1		 4g1bA-1uvxA:
14.00
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		7 / 12 PHE A  27
TYR A  28
GLN A  52
VAL A  97
LEU A 101
TYR A 123
ILE A 126
 None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
HEM  A 150 (-4.5A)
None
None
HEM  A 150 ( 4.8A)
 0.67A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		7 / 12 PHE A  27
TYR A  28
PHE A  42
VAL A  97
LEU A 101
TYR A 123
ILE A 126
 None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.5A)
HEM  A 150 (-4.5A)
None
None
HEM  A 150 ( 4.8A)
 0.75A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		6 / 12 THR A  24
PHE A  27
TYR A  28
GLN A  52
VAL A  97
TYR A 123
 None
None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
HEM  A 150 (-4.5A)
None
 0.66A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		6 / 12 THR A  24
PHE A  27
TYR A  28
PHE A  42
VAL A  97
TYR A 123
 None
None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.5A)
HEM  A 150 (-4.5A)
None
 0.77A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		7 / 12 TYR A  28
GLN A  52
ALA A  55
VAL A  97
LEU A 101
TYR A 123
ILE A 126
 CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
HEM  A 150 (-4.2A)
HEM  A 150 (-4.5A)
None
None
HEM  A 150 ( 4.8A)
 1.03A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		7 / 12 TYR A  28
PHE A  42
ALA A  55
VAL A  97
LEU A 101
TYR A 123
ILE A 126
 CYN  A 151 (-4.7A)
HEM  A 150 ( 3.5A)
HEM  A 150 (-4.2A)
HEM  A 150 (-4.5A)
None
None
HEM  A 150 ( 4.8A)
 0.98A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 3pt8 HEMOGLOBIN III
(Phacoides
pectinatus) 		5 / 12 PHE B  30
TYR B  31
GLN B  66
LEU B 115
ILE B 140
 None
CYN  B 501 (-4.5A)
HEM  B 500 ( 3.7A)
None
None
 0.96A 4g1bA-3pt8B:
15.2		 4g1bA-3pt8B:
16.45
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.
4G1B_B_ECNB403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		6 / 11 PHE A  27
TYR A  28
GLN A  52
ALA A  55
LEU A 101
TYR A 123
 None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
HEM  A 150 (-4.2A)
None
None
 0.94A 4g1bB-2wy4A:
20.7		 4g1bB-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_B_ECNB403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		5 / 11 PHE A  27
TYR A  28
LEU A  23
LEU A 101
TYR A 123
 None
CYN  A 151 (-4.7A)
None
None
None
 1.12A 4g1bB-2wy4A:
20.7		 4g1bB-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_B_ECNB403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		5 / 11 THR A  24
PHE A  27
TYR A  28
GLN A  52
TYR A 123
 None
None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
None
 0.80A 4g1bB-2wy4A:
20.7		 4g1bB-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		 1dly HEMOGLOBIN
(Chlamydomonas
moewusii) 		5 / 9 PHE A  19
TYR A  20
LEU A  49
VAL A  83
LEU A  87
 None
CYN  A 122 (-4.3A)
None
HEM  A 144 (-4.3A)
None
 1.11A 4g1bC-1dlyA:
3.7		 4g1bC-1dlyA:
18.25
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.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		 1uvx GLOBIN LI637
(Chlamydomonas
moewusii) 		5 / 9 PHE A  19
TYR A  20
LEU A  49
VAL A  83
LEU A  87
 XE  A1126 ( 4.2A)
CYN  A1123 (-4.9A)
XE  A1125 (-4.7A)
HEM  A1122 (-4.5A)
XE  A1126 (-3.7A)
 1.12A 4g1bC-1uvxA:
3.6		 4g1bC-1uvxA:
14.00
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.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		6 / 9 THR A  24
PHE A  27
TYR A  28
GLN A  52
VAL A  97
LEU A 101
 None
None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
HEM  A 150 (-4.5A)
None
 0.92A 4g1bC-2wy4A:
20.8		 4g1bC-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		6 / 9 THR A  24
PHE A  27
TYR A  28
LEU A  23
VAL A  97
LEU A 101
 None
None
CYN  A 151 (-4.7A)
None
HEM  A 150 (-4.5A)
None
 1.44A 4g1bC-2wy4A:
20.8		 4g1bC-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 1dly HEMOGLOBIN
(Chlamydomonas
moewusii) 		5 / 12 PHE A  19
TYR A  20
PHE A  33
LEU A  49
LEU A  87
 None
CYN  A 122 (-4.3A)
HEM  A 144 ( 4.4A)
None
None
 1.15A 4g1bD-1dlyA:
10.0		 4g1bD-1dlyA:
18.25
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.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		6 / 12 PHE A  27
TYR A  28
GLN A  52
LEU A 101
TYR A 123
ILE A 126
 None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
None
None
HEM  A 150 ( 4.8A)
 0.86A 4g1bD-2wy4A:
20.9		 4g1bD-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		5 / 12 PHE A  27
TYR A  28
LEU A  23
LEU A 101
TYR A 123
 None
CYN  A 151 (-4.7A)
None
None
None
 1.12A 4g1bD-2wy4A:
20.9		 4g1bD-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		6 / 12 PHE A  27
TYR A  28
PHE A  42
LEU A 101
TYR A 123
ILE A 126
 None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.5A)
None
None
HEM  A 150 ( 4.8A)
 0.78A 4g1bD-2wy4A:
20.9		 4g1bD-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		5 / 12 THR A  24
PHE A  27
TYR A  28
GLN A  52
TYR A 123
 None
None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
None
 0.89A 4g1bD-2wy4A:
20.9		 4g1bD-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		5 / 12 THR A  24
PHE A  27
TYR A  28
PHE A  42
TYR A 123
 None
None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.5A)
None
 0.83A 4g1bD-2wy4A:
20.9		 4g1bD-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G3R_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.05A 4g3rA-2wy4A:
undetectable		 4g3rA-2wy4A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G3R_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.13A 4g3rB-2wy4A:
undetectable		 4g3rB-2wy4A:
16.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GN6_A_TYLA621_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		4 / 4 HIS A  95
ARG C 239
GLU C 242
PHE C 366
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.45A 4gn6A-1d7wA:
undetectable		 4gn6A-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GN6_A_TYLA621_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		4 / 4 HIS A  95
ARG C 239
GLU C 242
PHE C 407
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-4.5A)
 1.10A 4gn6A-1d7wA:
undetectable		 4gn6A-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.82A 4hivD-3ayxA:
undetectable		 4hivD-3ayxA:
1.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IG5_A_MMZA616_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		5 / 5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
LEU C 246
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.35A 4ig5A-1d7wA:
undetectable		 4ig5A-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IG5_B_MMZB617_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		5 / 5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
LEU C 246
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.34A 4ig5B-1d7wA:
undetectable		 4ig5B-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J26_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		 1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT
(Bacillus
subtilis) 		5 / 12 LEU A  96
LEU A  73
ILE A 126
ILE A  82
HIS A  86
 CYN  A 181 ( 4.5A)
HEM  A 180 ( 4.7A)
HEM  A 180 (-4.5A)
HEM  A 180 (-3.5A)
HEM  A 180 (-4.7A)
 1.29A 4j26B-1or4A:
1.0		 4j26B-1or4A:
20.92
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.
4KKY_X_CAMX503_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.08A 4kkyX-2wy4A:
undetectable		 4kkyX-2wy4A:
15.87
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.
4L49_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 5 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.10A 4l49A-2wy4A:
undetectable		 4l49A-2wy4A:
16.83
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.
4L4C_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2wy4 SINGLE DOMAIN
HAEMOGLOBIN
(Campylobacter
jejuni) 		4 / 6 PHE A  42
TYR A  28
LEU A  56
VAL A  89
 HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
 1.04A 4l4cA-2wy4A:
undetectable		 4l4cA-2wy4A:
16.83
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.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 GLU B  28
THR B  24
THR A 546
LEU A 126
 None
None
CYN  A 605 (-3.7A)
None
 1.00A 4pgfA-3ayxB:
3.4		 4pgfA-3ayxB:
22.92
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.
4QVL_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qvlV-3ayxA:
undetectable
4qvlb-3ayxA:
undetectable		 4qvlV-3ayxA:
15.58
4qvlb-3ayxA:
16.70
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.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 4qvlH-3ayxA:
undetectable
4qvlN-3ayxA:
undetectable		 4qvlH-3ayxA:
15.58
4qvlN-3ayxA:
16.70
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.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qvmV-3ayxA:
undetectable
4qvmb-3ayxA:
undetectable		 4qvmV-3ayxA:
15.58
4qvmb-3ayxA:
16.70
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.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qvmH-3ayxA:
undetectable
4qvmN-3ayxA:
undetectable		 4qvmH-3ayxA:
15.58
4qvmN-3ayxA:
16.70
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.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.37A 4qvpV-3ayxA:
undetectable
4qvpb-3ayxA:
undetectable		 4qvpV-3ayxA:
15.58
4qvpb-3ayxA:
16.70
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.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.37A 4qvpH-3ayxA:
undetectable
4qvpN-3ayxA:
undetectable		 4qvpH-3ayxA:
15.58
4qvpN-3ayxA:
16.70
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.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.34A 4qvqV-3ayxA:
undetectable
4qvqb-3ayxA:
undetectable		 4qvqV-3ayxA:
15.58
4qvqb-3ayxA:
16.70
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.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qvqH-3ayxA:
undetectable
4qvqN-3ayxA:
undetectable		 4qvqH-3ayxA:
15.58
4qvqN-3ayxA:
16.70
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.
4QVW_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 4qvwV-3ayxA:
undetectable
4qvwb-3ayxA:
undetectable		 4qvwV-3ayxA:
15.58
4qvwb-3ayxA:
16.70
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.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 4qvwH-3ayxA:
undetectable
4qvwN-3ayxA:
undetectable		 4qvwH-3ayxA:
15.58
4qvwN-3ayxA:
16.70
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.
4QW0_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qw0V-3ayxA:
undetectable
4qw0b-3ayxA:
undetectable		 4qw0V-3ayxA:
15.58
4qw0b-3ayxA:
16.70
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.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qw0H-3ayxA:
undetectable
4qw0N-3ayxA:
undetectable		 4qw0H-3ayxA:
15.58
4qw0N-3ayxA:
16.70
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.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 4qw1H-3ayxA:
undetectable
4qw1N-3ayxA:
undetectable		 4qw1H-3ayxA:
15.58
4qw1N-3ayxA:
16.70
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.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qw3V-3ayxA:
undetectable
4qw3b-3ayxA:
undetectable		 4qw3V-3ayxA:
15.58
4qw3b-3ayxA:
16.70
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.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qw3H-3ayxA:
undetectable
4qw3N-3ayxA:
undetectable		 4qw3H-3ayxA:
15.58
4qw3N-3ayxA:
16.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QYQ_A_3CJA607_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		3 / 3 GLN A  91
HIS A  95
ARG C 239
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
 0.37A 4qyqA-1d7wA:
undetectable		 4qyqA-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QYQ_B_3CJB607_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		3 / 3 GLN A  91
HIS A  95
ARG C 239
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
 0.31A 4qyqB-1d7wA:
undetectable		 4qyqB-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QYQ_C_3CJC607_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		6 / 6 GLN A  91
ASP A  94
HIS A  95
ARG C 239
GLU C 242
ARG C 333
 HEM  A 605 ( 3.4A)
HEM  A 605 (-2.1A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-2.9A)
 0.40A 4qyqC-1d7wA:
3.3		 4qyqC-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QYQ_D_3CJD607_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		4 / 4 GLN A  91
HIS A  95
ARG C 239
GLU C 242
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
 0.34A 4qyqD-1d7wA:
undetectable		 4qyqD-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_C_RBFC201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT
(Bacillus
subtilis) 		5 / 9 ILE A 100
LEU A  79
VAL A  89
LEU A  92
ILE A  83
 None
HEM  A 180 (-4.1A)
None
CYN  A 181 (-3.5A)
None
 1.20A 4r38C-1or4A:
undetectable		 4r38C-1or4A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_D_RBFD201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT
(Bacillus
subtilis) 		5 / 8 ILE A 100
LEU A  79
VAL A  89
LEU A  92
ILE A  83
 None
HEM  A 180 (-4.1A)
None
CYN  A 181 (-3.5A)
None
 1.21A 4r38D-1or4A:
undetectable		 4r38D-1or4A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.32A 5bxnV-3ayxA:
undetectable
5bxnb-3ayxA:
undetectable		 5bxnV-3ayxA:
16.78
5bxnb-3ayxA:
16.70
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.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.34A 5bxnH-3ayxA:
undetectable
5bxnN-3ayxA:
undetectable		 5bxnH-3ayxA:
16.78
5bxnN-3ayxA:
16.70
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.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 5cz7H-3ayxA:
undetectable
5cz7N-3ayxA:
undetectable		 5cz7H-3ayxA:
15.58
5cz7N-3ayxA:
16.70
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.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.34A 5d0xV-3ayxA:
undetectable
5d0xb-3ayxA:
undetectable		 5d0xV-3ayxA:
15.58
5d0xb-3ayxA:
16.70
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.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 5d0xH-3ayxA:
undetectable
5d0xN-3ayxA:
undetectable		 5d0xH-3ayxA:
15.58
5d0xN-3ayxA:
16.70
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.
5EEU_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.18A 5eeuD-3i04A:
undetectable
5eeuE-3i04A:
undetectable		 5eeuD-3i04A:
7.87
5eeuE-3i04A:
7.87
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.
5EEU_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.30A 5eeuD-3i04A:
undetectable
5eeuE-3i04A:
undetectable		 5eeuD-3i04A:
7.87
5eeuE-3i04A:
7.87
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.
5EEU_H_TRPH101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 5eeuH-3i04A:
undetectable
5eeuI-3i04A:
undetectable		 5eeuH-3i04A:
7.87
5eeuI-3i04A:
7.87
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.
5EEV_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 5eevD-3i04A:
undetectable
5eevE-3i04A:
undetectable		 5eevD-3i04A:
7.87
5eevE-3i04A:
7.87
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.
5EEV_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.30A 5eevD-3i04A:
undetectable
5eevE-3i04A:
undetectable		 5eevD-3i04A:
7.87
5eevE-3i04A:
7.87
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.
5EEW_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.18A 5eewD-3i04A:
undetectable
5eewE-3i04A:
undetectable		 5eewD-3i04A:
7.87
5eewE-3i04A:
7.87
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.
5EEW_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.31A 5eewD-3i04A:
undetectable
5eewE-3i04A:
undetectable		 5eewD-3i04A:
7.87
5eewE-3i04A:
7.87
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.
5EEW_H_TRPH101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 5eewH-3i04A:
undetectable
5eewI-3i04A:
undetectable		 5eewH-3i04A:
7.87
5eewI-3i04A:
7.87
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.
5EEX_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 5eexD-3i04A:
undetectable
5eexE-3i04A:
undetectable		 5eexD-3i04A:
7.87
5eexE-3i04A:
7.87
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.
5EEX_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.31A 5eexD-3i04A:
undetectable
5eexE-3i04A:
undetectable		 5eexD-3i04A:
7.87
5eexE-3i04A:
7.87
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.
5EEX_H_TRPH101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.18A 5eexH-3i04A:
undetectable
5eexI-3i04A:
undetectable		 5eexH-3i04A:
7.87
5eexI-3i04A:
7.87
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.
5EEX_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 5eexI-3i04A:
undetectable
5eexJ-3i04A:
undetectable		 5eexI-3i04A:
7.87
5eexJ-3i04A:
7.87
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.
5EEX_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 5eexI-3i04A:
undetectable
5eexJ-3i04A:
undetectable		 5eexI-3i04A:
7.87
5eexJ-3i04A:
7.87
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.
5EEY_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 5eeyD-3i04A:
undetectable
5eeyE-3i04A:
undetectable		 5eeyD-3i04A:
7.87
5eeyE-3i04A:
7.87
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.
5EEY_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.31A 5eeyD-3i04A:
undetectable
5eeyE-3i04A:
undetectable		 5eeyD-3i04A:
7.87
5eeyE-3i04A:
7.87
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.
5EEY_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 5eeyI-3i04A:
undetectable
5eeyJ-3i04A:
undetectable		 5eeyI-3i04A:
7.87
5eeyJ-3i04A:
7.87
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.
5EEY_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 5eeyI-3i04A:
undetectable
5eeyJ-3i04A:
undetectable		 5eeyI-3i04A:
7.87
5eeyJ-3i04A:
7.87
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.
5EEZ_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 5eezD-3i04A:
undetectable
5eezE-3i04A:
undetectable		 5eezD-3i04A:
7.87
5eezE-3i04A:
7.87
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.
5EEZ_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.30A 5eezD-3i04A:
undetectable
5eezE-3i04A:
undetectable		 5eezD-3i04A:
7.87
5eezE-3i04A:
7.87
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.
5EEZ_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 5eezI-3i04A:
undetectable
5eezJ-3i04A:
undetectable		 5eezI-3i04A:
7.87
5eezJ-3i04A:
7.87
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.
5EEZ_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 5eezI-3i04A:
undetectable
5eezJ-3i04A:
undetectable		 5eezI-3i04A:
7.87
5eezJ-3i04A:
7.87
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.
5EF0_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 5ef0D-3i04A:
undetectable
5ef0E-3i04A:
undetectable		 5ef0D-3i04A:
7.87
5ef0E-3i04A:
7.87
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.
5EF0_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.31A 5ef0D-3i04A:
undetectable
5ef0E-3i04A:
undetectable		 5ef0D-3i04A:
7.87
5ef0E-3i04A:
7.87
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.
5EF0_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 5ef0I-3i04A:
undetectable
5ef0J-3i04A:
undetectable		 5ef0I-3i04A:
7.87
5ef0J-3i04A:
7.87
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.
5EF0_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 5ef0I-3i04A:
undetectable
5ef0J-3i04A:
undetectable		 5ef0I-3i04A:
7.87
5ef0J-3i04A:
7.87
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.
5EF1_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 5ef1D-3i04A:
undetectable
5ef1E-3i04A:
undetectable		 5ef1D-3i04A:
7.87
5ef1E-3i04A:
7.87
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.
5EF1_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.31A 5ef1D-3i04A:
undetectable
5ef1E-3i04A:
undetectable		 5ef1D-3i04A:
7.87
5ef1E-3i04A:
7.87
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.
5EF1_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 5ef1I-3i04A:
undetectable
5ef1J-3i04A:
undetectable		 5ef1I-3i04A:
7.87
5ef1J-3i04A:
7.87
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.
5EF1_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 5ef1I-3i04A:
undetectable
5ef1J-3i04A:
undetectable		 5ef1I-3i04A:
7.87
5ef1J-3i04A:
7.87
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.
5EF2_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 5ef2D-3i04A:
undetectable
5ef2E-3i04A:
undetectable		 5ef2D-3i04A:
7.87
5ef2E-3i04A:
7.87
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.
5EF2_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.31A 5ef2D-3i04A:
undetectable
5ef2E-3i04A:
undetectable		 5ef2D-3i04A:
7.87
5ef2E-3i04A:
7.87
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.
5EF2_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 5ef2I-3i04A:
undetectable
5ef2J-3i04A:
undetectable		 5ef2I-3i04A:
7.87
5ef2J-3i04A:
7.87
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.
5EF2_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 5ef2I-3i04A:
undetectable
5ef2J-3i04A:
undetectable		 5ef2I-3i04A:
7.87
5ef2J-3i04A:
7.87
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.
5EF3_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 5ef3D-3i04A:
undetectable
5ef3E-3i04A:
undetectable		 5ef3D-3i04A:
7.87
5ef3E-3i04A:
7.87
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.
5EF3_D_TRPD101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 10 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.30A 5ef3D-3i04A:
undetectable
5ef3E-3i04A:
undetectable		 5ef3D-3i04A:
7.87
5ef3E-3i04A:
7.87
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.
5EF3_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.19A 5ef3I-3i04A:
undetectable
5ef3J-3i04A:
undetectable		 5ef3I-3i04A:
7.87
5ef3J-3i04A:
7.87
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.
5EF3_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.32A 5ef3I-3i04A:
undetectable
5ef3J-3i04A:
undetectable		 5ef3I-3i04A:
7.87
5ef3J-3i04A:
7.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FF1_A_MMZA601_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		5 / 5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
LEU C 246
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.31A 5ff1A-1d7wA:
undetectable		 5ff1A-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FF1_A_MMZA602_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		5 / 5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
LEU C 246
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.31A 5ff1A-1d7wA:
undetectable		 5ff1A-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FF1_B_MMZB601_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		5 / 5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
LEU C 246
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.31A 5ff1B-1d7wA:
3.2		 5ff1B-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FF1_B_MMZB613_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		5 / 5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
LEU C 246
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.31A 5ff1B-1d7wA:
3.2		 5ff1B-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HPW_A_3CJA609_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		5 / 5 GLN A  91
HIS A  95
ARG C 239
GLU C 242
ARG C 333
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-2.9A)
 0.47A 5hpwA-1d7wA:
undetectable		 5hpwA-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HPW_B_3CJB609_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		4 / 4 GLN A  91
HIS A  95
ARG C 239
ARG C 333
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.9A)
 0.32A 5hpwB-1d7wA:
0.0		 5hpwB-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HPW_C_3CJC609_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		6 / 6 GLN A  91
ASP A  94
HIS A  95
ARG C 239
GLU C 242
ARG C 333
 HEM  A 605 ( 3.4A)
HEM  A 605 (-2.1A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-2.9A)
 0.40A 5hpwC-1d7wA:
3.3		 5hpwC-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HPW_D_3CJD609_1
(LACTOPEROXIDASE)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		4 / 4 GLN A  91
HIS A  95
ARG C 239
GLU C 242
 HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
 0.34A 5hpwD-1d7wA:
undetectable		 5hpwD-1d7wA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_B_VDYB201_2
(CDL2.2)		 4u8u GLOBIN C CHAIN
(Glossoscolex
paulistus) 		5 / 12 PHE C 111
LEU C  38
LEU C 142
ALA C  75
LEU C  73
 HEM  C 201 (-3.7A)
CYN  C 202 (-4.7A)
HEM  C 201 (-4.8A)
HEM  C 201 (-3.6A)
None
 1.06A 5ienB-4u8uC:
3.5		 5ienB-4u8uC:
22.42
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.
5JLI_A_ASCA202_0
(CYTOCHROME C')		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
(Moorella
thermoacetica) 		4 / 5 ALA A 588
GLY A 499
CYH A 550
HIS A 113
 CYN  A 900 ( 4.8A)
XCC  A 800 ( 4.1A)
XCC  A 800 ( 2.1A)
CYN  A 900 (-4.1A)
 1.45A 5jliA-3i04A:
undetectable		 5jliA-3i04A:
12.08
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.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.32A 5l5zV-3ayxA:
undetectable
5l5zb-3ayxA:
undetectable		 5l5zV-3ayxA:
15.58
5l5zb-3ayxA:
16.70
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.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.32A 5l5zH-3ayxA:
undetectable
5l5zN-3ayxA:
undetectable		 5l5zH-3ayxA:
15.58
5l5zN-3ayxA:
16.70
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.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.33A 5l66V-3ayxA:
undetectable
5l66b-3ayxA:
undetectable		 5l66V-3ayxA:
15.58
5l66b-3ayxA:
16.70
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.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.32A 5l66H-3ayxA:
undetectable
5l66N-3ayxA:
undetectable		 5l66H-3ayxA:
15.58
5l66N-3ayxA:
16.70
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.
5ODI_A_ACTA701_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
(Desulfovibrio
vulgaris) 		3 / 3 LYS L 237
LYS L 201
SER L 202
 CYN  L 428 (-2.8A)
None
CYN  L 428 ( 3.8A)
 1.19A 5odiA-1hfeL:
2.0		 5odiA-1hfeL:
22.42
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.
5SYJ_A_NIZA810_1
(CATALASE-PEROXIDASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 623
LEU A 139
PRO A 137
SER A 109
 MGD  A 811 ( 3.6A)
MGD  A 811 ( 4.4A)
CYN  A 813 ( 4.6A)
None
 1.46A 5syjA-2jirA:
undetectable		 5syjA-2jirA:
22.18
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.
5SYJ_B_NIZB810_1
(CATALASE-PEROXIDASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 623
LEU A 139
PRO A 137
SER A 109
 MGD  A 811 ( 3.6A)
MGD  A 811 ( 4.4A)
CYN  A 813 ( 4.6A)
None
 1.46A 5syjB-2jirA:
undetectable		 5syjB-2jirA:
22.18
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 2x66 PRNB
(Pseudomonas
fluorescens) 		4 / 6 PRO A 222
GLY A 223
LEU A 140
VAL A 117
 None
CYN  A1358 (-3.8A)
None
None
 0.83A 5x80A-2x66A:
0.8
5x80B-2x66A:
0.4		 5x80A-2x66A:
20.27
5x80B-2x66A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YBB_A_SAMA601_0
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 12 THR L 294
GLY L 292
PRO L 108
LEU S  88
ASN S  65
 None
None
CYN  L 429 ( 3.6A)
None
None
 1.09A 5ybbA-1hfeL:
undetectable		 5ybbA-1hfeL:
21.20
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.
5ZW4_A_SAMA302_0
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 12 PRO A 319
GLY A 292
ALA D  61
ALA A 149
ALA A 305
 None
None
None
CYN  A   7 ( 3.4A)
None
 1.04A 5zw4A-1e08A:
undetectable		 5zw4A-1e08A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A5Z_L_9CRL501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1emy MYOGLOBIN
(Elephas
maximus) 		5 / 12 ILE A 107
ALA A 110
PHE A  29
LEU A  32
LEU A  72
 HEM  A 154 ( 3.9A)
None
CYN  A 155 ( 4.9A)
None
HEM  A 154 ( 4.3A)
 0.95A 6a5zL-1emyA:
undetectable		 6a5zL-1emyA:
16.77