SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'FNE'


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)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.77A 1a7yA-1e3dB:
undetectable
1a7yA-1e3dB:
4.27
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.
1A7Y_B_DVAB8_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.85A 1a7yB-1e3dB:
undetectable
1a7yB-1e3dB:
4.27
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
4 / 6 CYH B  74
VAL B  73
HIS B  78
CYH B 539
FNE  B 543 (-2.2A)
None
FNE  B 543 (-3.9A)
FNE  B 543 (-2.2A)
1.42A 1ekjG-1e3dB:
undetectable
1ekjH-1e3dB:
undetectable
1ekjG-1e3dB:
18.33
1ekjH-1e3dB:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 493
PRO B 491
THR B 492
None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
0.76A 1i3wE-1e3dB:
undetectable
1i3wE-1e3dB:
4.27
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.
1I3W_E_DVAE8_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.82A 1i3wE-1e3dB:
undetectable
1i3wE-1e3dB:
4.27
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.
1I3W_F_DVAF8_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.77A 1i3wF-1e3dB:
undetectable
1i3wF-1e3dB:
4.27
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.
1I3W_G_DVAG2_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 493
PRO B 491
THR B 492
None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
0.81A 1i3wG-1e3dB:
undetectable
1i3wG-1e3dB:
4.27
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.
1I3W_G_DVAG8_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.85A 1i3wG-1e3dB:
undetectable
1i3wG-1e3dB:
4.27
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.
1I3W_H_DVAH8_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.85A 1i3wH-1e3dB:
undetectable
1i3wH-1e3dB:
4.27
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.
1MNV_D_DVAD2_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 493
PRO B 491
THR B 492
None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
0.79A 1mnvD-1e3dB:
undetectable
1mnvD-1e3dB:
4.27
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.
1MNV_D_DVAD8_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.77A 1mnvD-1e3dB:
undetectable
1mnvD-1e3dB:
4.27
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.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 493
PRO B 491
THR B 492
None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
0.78A 1ovfB-1e3dB:
undetectable
1ovfB-1e3dB:
4.27
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.
1P9G_A_ACTA42_0
(EAFP 2)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 CYH B  74
ARG B 469
CYH B  71
FNE  B 543 (-2.2A)
FNE  B 543 (-3.5A)
FNE  B 543 (-2.1A)
1.40A 1p9gA-1e3dB:
undetectable
1p9gA-1e3dB:
7.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QFI_A_DVAA8_0
(ACTINOMYCIN X2)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.75A 1qfiA-1e3dB:
undetectable
1qfiA-1e3dB:
4.27
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 493
PRO B 491
THR B 492
None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
0.83A 1unjF-1e3dB:
undetectable
1unjF-1e3dB:
4.27
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.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.77A 1unjF-1e3dB:
undetectable
1unjF-1e3dB:
4.27
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.
1UNJ_L_DVAL8_0
(7-AMINO-ACTINOMYCIN
D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.87A 1unjL-1e3dB:
undetectable
1unjL-1e3dB:
4.27
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.
1UNJ_R_DVAR8_0
(7-AMINO-ACTINOMYCIN
D)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 492
THR B 493
PRO B 491
FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
0.84A 1unjR-1e3dB:
undetectable
1unjR-1e3dB:
4.27
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.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
4 / 7 PHE B 110
THR B  77
GLY B 471
THR B 376
H2S  B 904 (-3.5A)
FNE  B 543 ( 4.4A)
None
None
0.91A 2a1mA-1e3dB:
undetectable
2a1mA-1e3dB:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 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)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 THR B 493
PRO B 491
THR B 492
None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
0.85A 4hivD-1e3dB:
undetectable
4hivD-1e3dB:
4.27
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.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans)
4 / 6 GLU A  22
THR A  18
THR B 492
LEU B 121
None
None
FNE  B 543 (-3.8A)
None
0.98A 4pgfA-1e3dA:
4.7
4pgfA-1e3dA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.22A 4qvmV-1e3dB:
undetectable
4qvmb-1e3dB:
undetectable
4qvmV-1e3dB:
18.77
4qvmb-1e3dB:
17.27
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.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.22A 4qvmH-1e3dB:
undetectable
4qvmN-1e3dB:
undetectable
4qvmH-1e3dB:
18.77
4qvmN-1e3dB:
17.27
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.
4QVN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 12 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.24A 4qvnV-1e3dB:
undetectable
4qvnb-1e3dB:
undetectable
4qvnV-1e3dB:
18.77
4qvnb-1e3dB:
17.27
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.
4QVN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 12 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.24A 4qvnH-1e3dB:
undetectable
4qvnN-1e3dB:
undetectable
4qvnH-1e3dB:
18.77
4qvnN-1e3dB:
17.27
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.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.24A 4qvpV-1e3dB:
undetectable
4qvpb-1e3dB:
undetectable
4qvpV-1e3dB:
18.77
4qvpb-1e3dB:
17.27
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.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.21A 4qvqV-1e3dB:
undetectable
4qvqb-1e3dB:
undetectable
4qvqV-1e3dB:
18.77
4qvqb-1e3dB:
17.27
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.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.22A 4qvqH-1e3dB:
undetectable
4qvqN-1e3dB:
undetectable
4qvqH-1e3dB:
18.77
4qvqN-1e3dB:
17.27
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.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.24A 4qvwH-1e3dB:
undetectable
4qvwN-1e3dB:
undetectable
4qvwH-1e3dB:
18.77
4qvwN-1e3dB:
17.27
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.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.22A 4qw3V-1e3dB:
undetectable
4qw3b-1e3dB:
undetectable
4qw3V-1e3dB:
18.77
4qw3b-1e3dB:
17.27
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.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.22A 4qw3H-1e3dB:
undetectable
4qw3N-1e3dB:
undetectable
4qw3H-1e3dB:
18.77
4qw3N-1e3dB:
17.27
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.
4QWU_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.25A 4qwuV-1e3dB:
undetectable
4qwub-1e3dB:
undetectable
4qwuV-1e3dB:
18.77
4qwub-1e3dB:
17.27
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.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.25A 4qwuH-1e3dB:
undetectable
4qwuN-1e3dB:
undetectable
4qwuH-1e3dB:
18.77
4qwuN-1e3dB:
17.27
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.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
4 / 5 SER B 506
ARG B 469
GLY B 470
THR B  77
None
FNE  B 543 (-3.5A)
None
FNE  B 543 ( 4.4A)
0.97A 5btiA-1e3dB:
0.0
5btiB-1e3dB:
undetectable
5btiA-1e3dB:
23.33
5btiB-1e3dB:
19.92
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
4 / 5 SER B 506
ARG B 469
GLY B 470
THR B  77
None
FNE  B 543 (-3.5A)
None
FNE  B 543 ( 4.4A)
1.03A 5btiC-1e3dB:
0.6
5btiD-1e3dB:
undetectable
5btiC-1e3dB:
23.33
5btiD-1e3dB:
19.92
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.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.23A 5cz7H-1e3dB:
undetectable
5cz7N-1e3dB:
undetectable
5cz7H-1e3dB:
18.77
5cz7N-1e3dB:
17.27
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.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.21A 5d0xV-1e3dB:
undetectable
5d0xb-1e3dB:
undetectable
5d0xV-1e3dB:
18.77
5d0xb-1e3dB:
17.27
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 9 LEU B 496
ILE B  29
GLU B 329
VAL B 490
GLU B 375
None
None
MG  B 901 ( 3.9A)
FNE  B 543 (-4.5A)
None
1.45A 5igzA-1e3dB:
0.0
5igzA-1e3dB:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 12 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.20A 5l5zV-1e3dB:
undetectable
5l5zb-1e3dB:
undetectable
5l5zV-1e3dB:
18.77
5l5zb-1e3dB:
17.27
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.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 12 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.20A 5l5zH-1e3dB:
undetectable
5l5zN-1e3dB:
undetectable
5l5zH-1e3dB:
18.77
5l5zN-1e3dB:
17.27
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.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.20A 5l66V-1e3dB:
undetectable
5l66b-1e3dB:
undetectable
5l66V-1e3dB:
18.77
5l66b-1e3dB:
17.27
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.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
1.19A 5l66H-1e3dB:
undetectable
5l66N-1e3dB:
undetectable
5l66H-1e3dB:
18.77
5l66N-1e3dB:
17.27
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.
5OV9_B_CVIB602_0
(ACETYLCHOLINESTERASE)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
4 / 8 THR B  77
LEU B  80
THR B 226
VAL B 234
FNE  B 543 ( 4.4A)
None
None
None
1.24A 5ov9B-1e3dB:
undetectable
5ov9B-1e3dB:
24.25
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.
6GNG_B_QPSB601_2
(-)
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 12 GLY B 470
GLY B 471
LEU B 472
GLY B  25
PRO B 367
None
None
FNE  B 543 (-3.4A)
None
None
1.05A 6gngB-1e3dB:
undetectable
6gngB-1e3dB:
22.26