SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'INS'


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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
4 / 7 ASP A 219
GLY A  26
GLY A  25
GLN A 136
INS  A 301 (-2.7A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
MG  A 303 ( 2.9A)
0.96A 1ekjE-4xf7A:
undetectable
1ekjF-4xf7A:
undetectable
1ekjE-4xf7A:
23.49
1ekjF-4xf7A:
23.49
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.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
4 / 8 ASP A 219
GLY A  26
GLY A  25
GLN A 136
INS  A 301 (-2.7A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
MG  A 303 ( 2.9A)
0.92A 1ekjG-4xf7A:
undetectable
1ekjH-4xf7A:
undetectable
1ekjG-4xf7A:
23.49
1ekjH-4xf7A:
23.49
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.
1LII_A_ADNA699_1
(ADENOSINE KINASE)
5ysq TM0415
(Thermotoga
maritima)
5 / 12 ASP A  11
GLY A  25
GLY A  26
THR A  74
ASN A  78
INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
None
INS  A 301 (-3.0A)
0.88A 1liiA-5ysqA:
22.9
1liiA-5ysqA:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A  73
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
None
INS  A 301 (-2.7A)
1.16A 1likA-4xf7A:
22.9
1likA-4xf7A:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)
5ysq TM0415
(Thermotoga
maritima)
5 / 12 LEU A  37
GLY A 231
GLY A 233
THR A  33
ASN A 114
None
INS  A 301 ( 4.7A)
SO4  A 302 (-3.2A)
None
None
1.01A 1likA-5ysqA:
24.6
1likA-5ysqA:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 11 GLY A 223
PHE A 248
GLY A 218
GLY A  27
GLY A  26
None
None
ACP  A 302 (-3.2A)
INS  A 301 (-3.8A)
INS  A 301 (-3.1A)
1.01A 1mxgA-4xf7A:
undetectable
1mxgA-4xf7A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.18A 1p6kA-4irxA:
undetectable
1p6kA-4irxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.22A 1p6kB-4irxA:
undetectable
1p6kB-4irxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PJ7_A_FFOA2887_1
(N,N-DIMETHYLGLYCINE
OXIDASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
3 / 3 ASP A  12
THR A  73
GLU A 115
INS  A 301 (-2.8A)
None
None
0.84A 1pj7A-4xf7A:
5.3
1pj7A-4xf7A:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.16A 1rs6A-4irxA:
undetectable
1rs6A-4irxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.21A 1rs6B-4irxA:
undetectable
1rs6B-4irxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
5 / 8 LEU A  31
GLN A  69
PHE A  29
LEU A  42
PHE A  38
None
None
None
None
INS  A 401 (-4.5A)
1.15A 1v54C-4rxmA:
undetectable
1v54J-4rxmA:
undetectable
1v54C-4rxmA:
20.81
1v54J-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_P_CHDP4271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 8 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.91A 1v54P-4rxmA:
undetectable
1v54W-4rxmA:
undetectable
1v54P-4rxmA:
20.81
1v54W-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
4 / 7 PHE A 164
PHE A  63
VAL A 280
SER A 241
None
None
None
INS  A 402 ( 4.7A)
0.99A 1wrlA-4rv3A:
undetectable
1wrlB-4rv3A:
undetectable
1wrlA-4rv3A:
14.78
1wrlB-4rv3A:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.22A 1zzqA-4irxA:
undetectable
1zzqA-4irxA:
20.25
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.
1ZZQ_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.22A 1zzqB-4irxA:
undetectable
1zzqB-4irxA:
20.25
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.
1ZZU_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.22A 1zzuB-4irxA:
undetectable
1zzuB-4irxA:
20.25
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.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)
5ysq TM0415
(Thermotoga
maritima)
5 / 12 ASP A  11
GLY A  25
GLY A  26
GLN A 141
ASP A 234
INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
INS  A 301 (-3.0A)
INS  A 301 ( 4.9A)
0.96A 2c49A-5ysqA:
26.6
2c49A-5ysqA:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)
5ysq TM0415
(Thermotoga
maritima)
5 / 10 PHE A  98
THR A  74
LEU A 116
GLY A  26
VAL A  43
None
None
INS  A 301 (-4.8A)
INS  A 301 (-3.8A)
None
1.30A 2cp4A-5ysqA:
undetectable
2cp4A-5ysqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
5 / 8 LEU A  31
GLN A  69
PHE A  29
LEU A  42
PHE A  38
None
None
None
None
INS  A 401 (-4.5A)
1.16A 2dyrC-4rxmA:
undetectable
2dyrJ-4rxmA:
undetectable
2dyrC-4rxmA:
20.81
2dyrJ-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 7 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.96A 2eimP-4rxmA:
undetectable
2eimW-4rxmA:
undetectable
2eimP-4rxmA:
20.81
2eimW-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)
5ysq TM0415
(Thermotoga
maritima)
4 / 6 THR A 230
THR A 235
ASN A  61
ASP A  60
INS  A 301 (-4.7A)
None
None
None
1.28A 2okcA-5ysqA:
2.8
2okcA-5ysqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
GLY A 216
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
0.70A 2pkkA-4xf7A:
26.9
2pkkA-4xf7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
GLY A 216
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
0.71A 2pkmA-4xf7A:
27.0
2pkmA-4xf7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RK8_B_PPFB3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])
2huo INOSITOL OXYGENASE
(Mus
musculus)
4 / 7 LYS A 127
HIS A 220
SER A 221
ASP A 124
INS  A 303 (-2.6A)
FE  A 302 (-3.2A)
INS  A 303 (-2.8A)
FE  A 302 ( 2.5A)
1.41A 2rk8B-2huoA:
undetectable
2rk8B-2huoA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
PHE A 156
TYR A  31
ASP A 142
HIS A  48
INS  A 303 (-3.7A)
None
None
INS  A 303 (-3.5A)
None
1.43A 2x2iA-2huoA:
undetectable
2x2iA-2huoA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.47A 2zj0B-2huoA:
undetectable
2zj0B-2huoA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 6 LEU A  31
GLN A  69
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
1.02A 2zxwP-4rxmA:
undetectable
2zxwW-4rxmA:
undetectable
2zxwP-4rxmA:
20.81
2zxwW-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A25_A_SAMA279_0
(UNCHARACTERIZED
PROTEIN PH0793)
4yo7 SUGAR ABC
TRANSPORTER
(SUGAR-BINDING
PROTEIN)

(Bacillus
halodurans)
5 / 12 ASN A 233
ARG A 183
GLY A 176
ASP A 108
THR A 109
INS  A 405 (-3.8A)
INS  A 405 (-2.6A)
None
None
None
1.40A 3a25A-4yo7A:
undetectable
3a25A-4yo7A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 6 LEU A  31
GLN A  69
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
1.01A 3ag1C-4rxmA:
undetectable
3ag1J-4rxmA:
undetectable
3ag1C-4rxmA:
20.81
3ag1J-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 7 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.97A 3asnC-4rxmA:
undetectable
3asnJ-4rxmA:
undetectable
3asnC-4rxmA:
20.81
3asnJ-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 7 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.92A 3asnP-4rxmA:
undetectable
3asnW-4rxmA:
undetectable
3asnP-4rxmA:
20.81
3asnW-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 7 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.93A 3asoP-4rxmA:
undetectable
3asoW-4rxmA:
undetectable
3asoP-4rxmA:
20.81
3asoW-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B9M_A_SALA1200_1
(SERUM ALBUMIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
4 / 5 ILE A 147
TYR A  75
ARG A  92
GLY A 137
None
INS  A 301 (-3.8A)
None
None
1.25A 3b9mA-4xf7A:
undetectable
3b9mA-4xf7A:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.45A 3ce6B-2huoA:
undetectable
3ce6B-2huoA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.42A 3glqA-2huoA:
undetectable
3glqA-2huoA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.43A 3glqB-2huoA:
undetectable
3glqB-2huoA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ILT_B_TRUB800_1
(GLUTAMATE RECEPTOR 2)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
5 / 12 PRO A  32
SER A  64
LEU A  42
LEU A  34
SER A  36
None
None
None
None
INS  A 401 ( 4.4A)
1.36A 3iltB-4rxmA:
2.1
3iltE-4rxmA:
3.4
3iltB-4rxmA:
21.81
3iltE-4rxmA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_D_VIAD901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
5 / 11 GLN A 278
HIS A 137
LEU A 306
MET A  55
LEU A  59
INS  A 401 (-3.1A)
None
None
None
None
1.48A 3jwqA-4irxA:
undetectable
3jwqD-4irxA:
undetectable
3jwqA-4irxA:
24.31
3jwqD-4irxA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)
5fyr PHOSPHOINOSITOL-SPEC
IFIC PHOSPHOLIPASE C

(Pseudomonas
sp.)
3 / 3 ASP A 119
ASN A  27
SER A 191
INS  A 301 ( 3.1A)
CA  A 401 ( 3.0A)
None
0.84A 3lslA-5fyrA:
undetectable
3lslD-5fyrA:
undetectable
3lslA-5fyrA:
19.69
3lslD-5fyrA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)
5fyr PHOSPHOINOSITOL-SPEC
IFIC PHOSPHOLIPASE C

(Pseudomonas
sp.)
3 / 3 SER A 191
ASP A 119
ASN A  27
None
INS  A 301 ( 3.1A)
CA  A 401 ( 3.0A)
0.92A 3lslA-5fyrA:
undetectable
3lslD-5fyrA:
undetectable
3lslA-5fyrA:
19.69
3lslD-5fyrA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.41A 3n58C-2huoA:
undetectable
3n58C-2huoA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.41A 3n58D-2huoA:
undetectable
3n58D-2huoA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.81A 3uboB-4xf7A:
24.4
3uboB-4xf7A:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 6 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.96A 3wg7C-4rxmA:
undetectable
3wg7J-4rxmA:
undetectable
3wg7C-4rxmA:
20.81
3wg7J-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 6 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.99A 3wg7P-4rxmA:
undetectable
3wg7W-4rxmA:
undetectable
3wg7P-4rxmA:
20.81
3wg7W-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_G_ACTG305_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
3 / 3 ASP A 115
ARG A 166
LYS A 113
None
INS  A 402 (-2.6A)
INS  A 402 (-3.9A)
1.15A 3wipG-4rv3A:
undetectable
3wipG-4rv3A:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
6 / 12 ASP A  12
GLY A  25
GLY A  26
LEU A  89
GLY A 216
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
None
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
1.25A 4dc3B-4xf7A:
22.9
4dc3B-4xf7A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)
5ysq TM0415
(Thermotoga
maritima)
5 / 12 ASP A  11
GLY A  25
GLY A  26
THR A  74
ASN A  78
INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
None
INS  A 301 (-3.0A)
0.83A 4dc3B-5ysqA:
24.8
4dc3B-5ysqA:
10.66
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.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A  73
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
None
INS  A 301 (-2.7A)
1.09A 4e3aA-4xf7A:
24.5
4e3aA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.74A 4e3aA-4xf7A:
24.5
4e3aA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
6 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
GLY A 216
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
0.71A 4e3aB-4xf7A:
24.4
4e3aB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)
5ysq TM0415
(Thermotoga
maritima)
6 / 12 ASP A  11
GLY A  25
GLY A  26
THR A 230
GLY A 231
ASP A 234
INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
INS  A 301 (-4.7A)
INS  A 301 ( 4.7A)
INS  A 301 ( 4.9A)
1.08A 4e3aB-5ysqA:
27.8
4e3aB-5ysqA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)
5ysq TM0415
(Thermotoga
maritima)
6 / 12 GLY A  25
GLY A  26
LEU A  91
THR A 230
GLY A 231
ASP A 234
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
None
INS  A 301 (-4.7A)
INS  A 301 ( 4.7A)
INS  A 301 ( 4.9A)
1.23A 4e3aB-5ysqA:
27.8
4e3aB-5ysqA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H2F_A_ADNA601_1
(5'-NUCLEOTIDASE)
5ysq TM0415
(Thermotoga
maritima)
5 / 9 GLY A  25
GLY A  24
PHE A  57
GLY A  26
PHE A  55
INS  A 301 (-3.4A)
None
None
INS  A 301 (-3.8A)
None
1.32A 4h2fA-5ysqA:
undetectable
4h2fA-5ysqA:
9.02
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.
4H2G_A_ADNA603_1
(5'-NUCLEOTIDASE)
5ysq TM0415
(Thermotoga
maritima)
5 / 9 GLY A  25
GLY A  24
PHE A  57
GLY A  26
PHE A  55
INS  A 301 (-3.4A)
None
None
INS  A 301 (-3.8A)
None
1.40A 4h2gA-5ysqA:
3.0
4h2gA-5ysqA:
9.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I90_A_ACTA500_0
(1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
3 / 3 LYS A 113
ARG A 166
TRP A 185
INS  A 402 (-3.9A)
INS  A 402 (-2.6A)
INS  A 402 ( 4.9A)
0.28A 4i90A-4rv3A:
54.5
4i90A-4rv3A:
99.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J83_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
4ru1 MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Acidothermus
cellulolyticus)
5 / 11 ILE A 113
ALA A 135
GLY A 286
HIS A  57
GLU A  94
None
None
None
INS  A 401 (-4.2A)
None
1.45A 4j83A-4ru1A:
undetectable
4j83A-4ru1A:
21.17
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.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.81A 4jksA-4xf7A:
24.5
4jksA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4jksB-4xf7A:
24.5
4jksB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.81A 4jkuA-4xf7A:
21.7
4jkuA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.81A 4jkuB-4xf7A:
24.5
4jkuB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_A_ADNA401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.83A 4k8cA-4xf7A:
21.7
4k8cA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_B_ADNB401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4k8cB-4xf7A:
24.5
4k8cB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_A_ADNA401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4k8kA-4xf7A:
24.5
4k8kA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_B_ADNB403_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4k8kB-4xf7A:
24.5
4k8kB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_A_ADNA401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4k8pA-4xf7A:
24.4
4k8pA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_B_ADNB401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4k8pB-4xf7A:
24.3
4k8pB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_A_ADNA401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4k8tA-4xf7A:
24.4
4k8tA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_B_ADNB401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4k8tB-4xf7A:
24.4
4k8tB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K93_A_ADNA401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4k93A-4xf7A:
24.5
4k93A-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K93_B_ADNB402_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.81A 4k93B-4xf7A:
24.5
4k93B-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_A_ADNA401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4k9cA-4xf7A:
24.6
4k9cA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_B_ADNB401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.79A 4k9cB-4xf7A:
24.5
4k9cB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9I_A_ADNA401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.81A 4k9iA-4xf7A:
24.5
4k9iA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9I_B_ADNB401_1
(SUGAR KINASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4k9iB-4xf7A:
24.5
4k9iB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4kadA-4xf7A:
24.4
4kadA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.83A 4kadB-4xf7A:
21.6
4kadB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.81A 4kahA-4xf7A:
21.7
4kahA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4kahB-4xf7A:
24.5
4kahB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4kalA-4xf7A:
24.5
4kalA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4kalB-4xf7A:
24.4
4kalB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4kanA-4xf7A:
21.7
4kanA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.79A 4kanB-4xf7A:
24.4
4kanB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.83A 4kbeA-4xf7A:
21.8
4kbeA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4kbeB-4xf7A:
21.6
4kbeB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 7 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.25A 4kcnB-4irxA:
undetectable
4kcnB-4irxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)
5fyr PHOSPHOINOSITOL-SPEC
IFIC PHOSPHOLIPASE C

(Pseudomonas
sp.)
3 / 3 TYR A 282
GLN A 275
TRP A 262
None
None
INS  A 301 (-3.8A)
1.02A 4kn2C-5fyrA:
undetectable
4kn2C-5fyrA:
19.22
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4lbgA-4xf7A:
24.5
4lbgA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4lbgB-4xf7A:
24.6
4lbgB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4lbxA-4xf7A:
24.5
4lbxA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.81A 4lbxB-4xf7A:
24.6
4lbxB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4lc4A-4xf7A:
24.5
4lc4A-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.82A 4lc4B-4xf7A:
24.4
4lc4B-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.80A 4lcaA-4xf7A:
24.5
4lcaA-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
0.81A 4lcaB-4xf7A:
24.4
4lcaB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MX0_A_BCZA513_1
(NEURAMINIDASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
3 / 3 ARG A 140
ASP A 134
ARG A  85
INS  A 301 (-2.7A)
MG  A 303 ( 4.0A)
ACP  A 302 (-2.9A)
0.98A 4mx0A-4xf7A:
undetectable
4mx0A-4xf7A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)
5ysq TM0415
(Thermotoga
maritima)
5 / 12 ASN A  78
GLY A  26
ILE A  32
SER A   9
PHE A  57
INS  A 301 (-3.0A)
INS  A 301 (-3.8A)
None
INS  A 301 ( 4.5A)
None
1.20A 4obwC-5ysqA:
4.5
4obwC-5ysqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)
5ysq TM0415
(Thermotoga
maritima)
5 / 12 ASP A  11
GLY A  25
GLY A  26
GLN A 141
ASP A 234
INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
INS  A 301 (-3.0A)
INS  A 301 ( 4.9A)
1.21A 4ubeA-5ysqA:
26.3
4ubeA-5ysqA:
14.33
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
4 / 6 ASP A  31
ALA A  46
THR A  48
THR A 252
INS  A 402 ( 4.3A)
None
None
None
0.98A 4w5qA-4rv3A:
undetectable
4w5qA-4rv3A:
16.25
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.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
4 / 6 ASP A  31
ALA A  46
THR A  48
THR A 252
INS  A 402 ( 4.3A)
None
None
None
0.97A 4w5rA-4rv3A:
undetectable
4w5rA-4rv3A:
16.25
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
4 / 6 ASP A  31
ALA A  46
THR A  48
THR A 252
INS  A 402 ( 4.3A)
None
None
None
0.96A 4w5tA-4rv3A:
undetectable
4w5tA-4rv3A:
16.25
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)
5ysq TM0415
(Thermotoga
maritima)
5 / 12 GLY A 231
ASP A 234
PHE A  55
PHE A  57
ALA A  22
INS  A 301 ( 4.7A)
INS  A 301 ( 4.9A)
None
None
None
1.41A 4wh5A-5ysqA:
undetectable
4wh5A-5ysqA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y9T_A_PA1A401_1
(ABC TRANSPORTER,
SOLUTE BINDING
PROTEIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
5 / 12 PHE A  52
GLN A  49
ASP A 125
ASP A 258
ALA A  54
None
INS  A 401 (-3.0A)
INS  A 401 (-2.8A)
INS  A 401 (-2.7A)
None
1.36A 4y9tA-4irxA:
35.3
4y9tA-4irxA:
25.14
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.
4Y9T_A_PA1A401_1
(ABC TRANSPORTER,
SOLUTE BINDING
PROTEIN)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
5 / 12 PHE A  38
ASP A 112
ARG A 113
TRP A 189
GLN A 263
INS  A 401 (-4.5A)
INS  A 401 (-2.6A)
INS  A 401 (-3.8A)
INS  A 401 (-3.6A)
INS  A 401 (-3.3A)
0.80A 4y9tA-4rxmA:
35.5
4y9tA-4rxmA:
24.93
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
4 / 6 ASP A  31
ALA A  46
THR A  48
THR A 252
INS  A 402 ( 4.3A)
None
None
None
1.00A 4z4cA-4rv3A:
undetectable
4z4cA-4rv3A:
16.25
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
4 / 6 ASP A  31
ALA A  46
THR A  48
THR A 252
INS  A 402 ( 4.3A)
None
None
None
0.96A 4z4fA-4rv3A:
undetectable
4z4fA-4rv3A:
16.25
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.
4Z4G_A_IPHA905_0
(PROTEIN ARGONAUTE-2)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
4 / 5 ASP A  31
ALA A  46
THR A  48
THR A 252
INS  A 402 ( 4.3A)
None
None
None
0.99A 4z4gA-4rv3A:
undetectable
4z4gA-4rv3A:
16.25
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.
4Z4I_A_IPHA904_0
(PROTEIN ARGONAUTE-2)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
4 / 6 ASP A  31
ALA A  46
THR A  48
THR A 252
INS  A 402 ( 4.3A)
None
None
None
0.98A 4z4iA-4rv3A:
undetectable
4z4iA-4rv3A:
16.25
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.
5B1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
5 / 7 LEU A  31
GLN A  69
PHE A  29
LEU A  42
PHE A  38
None
None
None
None
INS  A 401 (-4.5A)
1.11A 5b1bP-4rxmA:
undetectable
5b1bW-4rxmA:
undetectable
5b1bP-4rxmA:
20.81
5b1bW-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BR1_A_X6XA401_1
(ABC TRANSPORTER,
BINDING PROTEIN)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
5 / 11 PHE A  38
ASP A 112
ARG A 113
TRP A 189
GLN A 263
INS  A 401 (-4.5A)
INS  A 401 (-2.6A)
INS  A 401 (-3.8A)
INS  A 401 (-3.6A)
INS  A 401 (-3.3A)
0.78A 5br1A-4rxmA:
35.4
5br1A-4rxmA:
24.93
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.
5IAO_C_URFC301_1
(BIFUNCTIONAL PROTEIN
PYRR)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
3 / 3 ARG A 166
HIS A  30
ARG A  67
INS  A 402 (-2.6A)
INS  A 402 (-3.6A)
INS  A 402 (-3.5A)
0.73A 5iaoC-4rv3A:
undetectable
5iaoC-4rv3A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IAO_F_URFF301_1
(BIFUNCTIONAL PROTEIN
PYRR)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
3 / 3 ARG A 166
HIS A  30
ARG A  67
INS  A 402 (-2.6A)
INS  A 402 (-3.6A)
INS  A 402 (-3.5A)
0.75A 5iaoF-4rv3A:
undetectable
5iaoF-4rv3A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 LEU A  77
ASP A 219
GLY A 216
VAL A  10
LYS A  16
INS  A 301 ( 4.8A)
INS  A 301 (-2.7A)
ACP  A 302 (-3.9A)
INS  A 301 ( 4.8A)
None
1.33A 5kbwB-4xf7A:
undetectable
5kbwB-4xf7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)
4ru1 MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Acidothermus
cellulolyticus)
4 / 8 ARG A 190
GLU A 156
GLY A 312
PRO A 313
INS  A 401 (-2.6A)
None
None
None
1.01A 5kgpA-4ru1A:
undetectable
5kgpA-4ru1A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)
4ru1 MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Acidothermus
cellulolyticus)
4 / 8 ARG A 190
GLU A 156
GLY A 312
PRO A 313
INS  A 401 (-2.6A)
None
None
None
1.03A 5kgpB-4ru1A:
undetectable
5kgpB-4ru1A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)
2huo INOSITOL OXYGENASE
(Mus
musculus)
3 / 3 THR A 143
SER A 221
ASP A  85
None
INS  A 303 (-2.8A)
INS  A 303 (-2.7A)
0.84A 5kvaA-2huoA:
undetectable
5kvaA-2huoA:
17.61
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.
5KVA_B_SAMB301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)
2huo INOSITOL OXYGENASE
(Mus
musculus)
3 / 3 THR A 143
SER A 221
ASP A  85
None
INS  A 303 (-2.8A)
INS  A 303 (-2.7A)
0.84A 5kvaB-2huoA:
undetectable
5kvaB-2huoA:
17.61
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.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)
2huo INOSITOL OXYGENASE
(Mus
musculus)
4 / 8 ASP A 142
PRO A 224
TYR A 231
SER A 159
INS  A 303 (-3.5A)
None
None
None
1.09A 5l1fA-2huoA:
undetectable
5l1fB-2huoA:
undetectable
5l1fA-2huoA:
16.53
5l1fB-2huoA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 7 SER A 174
PHE A  52
SER A 203
ASN A 168
INS  A 401 (-2.5A)
None
INS  A 401 (-2.7A)
INS  A 401 (-3.8A)
1.17A 5l1fC-4irxA:
15.3
5l1fC-4irxA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)
5ysq TM0415
(Thermotoga
maritima)
4 / 7 PHE A  57
PHE A  55
GLY A  24
GLY A  26
None
None
None
INS  A 301 (-3.8A)
1.03A 5n9xA-5ysqA:
3.2
5n9xA-5ysqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
3 / 3 HIS A  80
ASP A  31
HIS A  30
None
INS  A 402 ( 4.3A)
INS  A 402 (-3.6A)
0.71A 5oexB-4rv3A:
undetectable
5oexB-4rv3A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
3 / 3 HIS A  80
ASP A  31
HIS A  30
None
INS  A 402 ( 4.3A)
INS  A 402 (-3.6A)
0.69A 5oexC-4rv3A:
undetectable
5oexC-4rv3A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
3 / 3 HIS A  80
ASP A  31
HIS A  30
None
INS  A 402 ( 4.3A)
INS  A 402 (-3.6A)
0.67A 5oexD-4rv3A:
undetectable
5oexD-4rv3A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
4 / 7 TYR A  30
TYR A  29
GLN A 136
ASP A 134
INS  A 301 (-4.6A)
None
MG  A 303 ( 2.9A)
MG  A 303 ( 4.0A)
1.29A 5ov9B-4xf7A:
undetectable
5ov9B-4xf7A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_A_MTLA805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.26A 5vunA-4irxA:
undetectable
5vunA-4irxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.25A 5vunB-4irxA:
undetectable
5vunB-4irxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.23A 5vuoB-4irxA:
undetectable
5vuoB-4irxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 5 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.98A 5x19C-4rxmA:
undetectable
5x19J-4rxmA:
undetectable
5x19C-4rxmA:
20.81
5x19J-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 7 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.97A 5x1fP-4rxmA:
undetectable
5x1fW-4rxmA:
undetectable
5x1fP-4rxmA:
20.81
5x1fW-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_B_8LXB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 PHE A  51
SER A 174
HIS A 137
PHE A  52
INS  A 401 (-3.5A)
INS  A 401 (-2.5A)
None
None
0.97A 5y2tB-4irxA:
undetectable
5y2tB-4irxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJS_A_SALA603_0
(VICILIN-LIKE
ANTIMICROBIAL
PEPTIDES 2-2)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
5 / 11 GLY A 145
ASN A 168
ARG A 178
VAL A 182
GLY A 146
None
INS  A 401 (-3.8A)
INS  A 401 (-3.0A)
None
None
1.47A 5yjsA-4irxA:
undetectable
5yjsA-4irxA:
12.76
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.
5YW0_A_ACTA409_0
(UNCHARACTERIZED
PROTEIN KDOO)
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus)
3 / 3 ASP A  31
PHE A 239
ARG A 166
INS  A 402 ( 4.3A)
INS  A 402 ( 4.1A)
INS  A 402 (-2.6A)
1.08A 5yw0A-4rv3A:
undetectable
5yw0A-4rv3A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 7 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.93A 5zcoC-4rxmA:
undetectable
5zcoJ-4rxmA:
undetectable
5zcoC-4rxmA:
20.81
5zcoJ-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
4 / 7 LEU A  31
PHE A  29
LEU A  42
PHE A  38
None
None
None
INS  A 401 (-4.5A)
0.95A 5zcqC-4rxmA:
undetectable
5zcqJ-4rxmA:
undetectable
5zcqC-4rxmA:
20.81
5zcqJ-4rxmA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.46A 6aphA-2huoA:
undetectable
6aphA-2huoA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 8 ASN A 231
GLN A 278
ASN A  45
ASP A 125
INS  A 401 (-3.9A)
INS  A 401 (-3.1A)
None
INS  A 401 (-2.8A)
1.27A 6auuB-4irxA:
undetectable
6auuB-4irxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B89_B_NOVB403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica)
5 / 10 HIS A 123
ALA A 109
PRO A  32
PHE A  38
VAL A 269
None
None
None
INS  A 401 (-4.5A)
None
0.99A 6b89B-4rxmA:
2.5
6b89B-4rxmA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)
4ru1 MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Acidothermus
cellulolyticus)
5 / 12 ASP A 279
ARG A 190
ALA A 159
GLY A 153
GLY A 312
None
INS  A 401 (-2.6A)
None
None
None
0.97A 6clxA-4ru1A:
2.2
6clxA-4ru1A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides)
4 / 7 ASN A 168
ALA A 274
VAL A 226
LEU A 228
INS  A 401 (-3.8A)
None
None
None
0.75A 6dwnB-4irxA:
undetectable
6dwnB-4irxA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3M_C_ADNC502_1
(-)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.40A 6f3mC-2huoA:
undetectable
6f3mC-2huoA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')
5fyr PHOSPHOINOSITOL-SPEC
IFIC PHOSPHOLIPASE C

(Pseudomonas
sp.)
4 / 8 ASP A  50
ARG A 260
VAL A  44
GLN A 275
CA  A 401 (-2.2A)
INS  A 301 (-2.9A)
None
None
1.05A 6fbvD-5fyrA:
undetectable
6fbvD-5fyrA:
12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_B_ADNB501_1
(-)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.44A 6gbnB-2huoA:
undetectable
6gbnB-2huoA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_C_ADNC501_1
(-)
2huo INOSITOL OXYGENASE
(Mus
musculus)
5 / 12 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
1.43A 6gbnC-2huoA:
undetectable
6gbnC-2huoA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_2
(-)
5ysq TM0415
(Thermotoga
maritima)
5 / 12 VAL A  28
ASP A  11
GLU A 176
GLU A 120
GLY A   6
None
INS  A 301 (-2.7A)
SO4  A 302 ( 4.9A)
None
None
1.46A 6gnfC-5ysqA:
6.9
6gnfC-5ysqA:
9.21