SIMILAR PATTERNS OF AMINO ACIDS FOR 3KPB_C_SAMC1000

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. 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.
1k3r CONSERVED PROTEIN
MT0001


(Methanothermobacter
thermautotrophicus)
PF02598
(Methyltrn_RNA_3)
5 ILE A  57
THR A  15
VAL A  28
ILE A  31
ILE A  10
None
1.14A 3kpbC-1k3rA:
0.0
3kpbC-1k3rA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)


(Rattus
norvegicus)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
5 ILE B 108
THR B  90
THR B 110
ILE B  84
PRO B 101
None
1.18A 3kpbC-1mabB:
undetectable
3kpbC-1mabB:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfj 3-DEHYDROQUINATE
DEHYDRATASE


(Staphylococcus
aureus)
PF01487
(DHquinase_I)
5 HIS A 114
ILE A 118
VAL A 128
ILE A 101
ILE A  89
None
1.24A 3kpbC-1sfjA:
undetectable
3kpbC-1sfjA:
21.76
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.
1ugh PROTEIN (URACIL-DNA
GLYCOSYLASE
INHIBITOR)


(Bacillus phage
PBS2)
no annotation 5 ILE I  41
THR I  59
VAL I  29
ILE I  33
PRO I  37
None
1.10A 3kpbC-1ughI:
undetectable
3kpbC-1ughI:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wmr ISOPULLULANASE

(Aspergillus
niger)
PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N)
5 ASP A 159
VAL A 141
ILE A 143
ILE A 125
SER A 155
None
1.28A 3kpbC-1wmrA:
undetectable
3kpbC-1wmrA:
12.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xkf HYPOTHETICAL PROTEIN
RV2626C


(Mycobacterium
tuberculosis)
PF00571
(CBS)
6 ILE A 113
THR A 115
ASP A 118
VAL A  12
ILE A  33
PRO A  37
None
0.95A 3kpbC-1xkfA:
16.7
3kpbC-1xkfA:
30.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yv7 P-30 PROTEIN

(Rana pipiens)
PF00074
(RnaseA)
5 ILE A  47
THR A  59
VAL A  88
ILE A  37
PRO A  95
None
1.18A 3kpbC-1yv7A:
undetectable
3kpbC-1yv7A:
23.81
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE


(Streptococcus
pyogenes)
PF00478
(IMPDH)
PF00571
(CBS)
5 ILE A 139
THR A 141
ASP A 144
ILE A 185
PRO A 189
None
1.24A 3kpbC-1zfjA:
15.9
3kpbC-1zfjA:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE


(Streptococcus
pyogenes)
PF00478
(IMPDH)
PF00571
(CBS)
6 ILE A 139
THR A 141
ASP A 144
THR A 160
ILE A 185
PRO A 189
None
0.98A 3kpbC-1zfjA:
15.9
3kpbC-1zfjA:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE


(Streptococcus
pyogenes)
PF00478
(IMPDH)
PF00571
(CBS)
5 THR A 202
ASP A 205
ILE A 122
SER A 123
PRO A 126
None
0.81A 3kpbC-1zfjA:
15.9
3kpbC-1zfjA:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli)
PF12706
(Lactamase_B_2)
5 HIS A  69
THR A  20
THR A  43
ILE A  62
SER A  63
ZN  A 402 (-3.3A)
None
None
None
None
1.23A 3kpbC-2cbnA:
undetectable
3kpbC-2cbnA:
18.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ef7 HYPOTHETICAL PROTEIN
ST2348


(Sulfurisphaera
tokodaii)
PF00571
(CBS)
5 HIS A 100
ILE A  49
THR A  74
ILE A  98
PRO A 102
None
1.10A 3kpbC-2ef7A:
14.6
3kpbC-2ef7A:
33.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ef7 HYPOTHETICAL PROTEIN
ST2348


(Sulfurisphaera
tokodaii)
PF00571
(CBS)
5 ILE A  49
ASP A  54
THR A  74
ILE A  98
PRO A 102
None
1.09A 3kpbC-2ef7A:
14.6
3kpbC-2ef7A:
33.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ef7 HYPOTHETICAL PROTEIN
ST2348


(Sulfurisphaera
tokodaii)
PF00571
(CBS)
6 ILE A  49
THR A  51
ASP A  54
LYS A  57
THR A  74
ILE A  98
None
1.13A 3kpbC-2ef7A:
14.6
3kpbC-2ef7A:
33.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7i COMPLEMENT FACTOR H

(Homo sapiens)
PF00084
(Sushi)
5 ILE A1120
THR A1121
VAL A1134
ILE A1150
PRO A1112
None
1.18A 3kpbC-2g7iA:
undetectable
3kpbC-2g7iA:
20.14
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.
2glj PROBABLE M18-FAMILY
AMINOPEPTIDASE 1


(Clostridium
acetobutylicum)
PF02127
(Peptidase_M18)
5 THR A 157
VAL A 152
ILE A 151
ILE A 231
SER A 232
None
1.19A 3kpbC-2gljA:
undetectable
3kpbC-2gljA:
13.32
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.
2j9l CHLORIDE CHANNEL
PROTEIN 5


(Homo sapiens)
PF00571
(CBS)
5 ILE A 722
THR A 724
ASP A 727
LYS A 730
PRO A 621
ATP  A1752 (-4.1A)
ATP  A1752 (-2.7A)
ATP  A1752 (-2.7A)
None
None
1.06A 3kpbC-2j9lA:
12.3
3kpbC-2j9lA:
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.
2j9l CHLORIDE CHANNEL
PROTEIN 5


(Homo sapiens)
PF00571
(CBS)
5 ILE A 722
THR A 724
ASP A 727
SER A 618
PRO A 621
ATP  A1752 (-4.1A)
ATP  A1752 (-2.7A)
ATP  A1752 (-2.7A)
ATP  A1752 (-3.3A)
None
0.57A 3kpbC-2j9lA:
12.3
3kpbC-2j9lA:
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.
2o16 ACETOIN UTILIZATION
PROTEIN ACUB,
PUTATIVE


(Vibrio cholerae)
PF00571
(CBS)
5 HIS A  54
ILE A  67
ASP A  72
ILE A 125
PRO A 129
PO4  A   1 (-3.8A)
None
PO4  A   7 (-2.9A)
None
None
1.26A 3kpbC-2o16A:
17.3
3kpbC-2o16A:
26.71
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.
2o16 ACETOIN UTILIZATION
PROTEIN ACUB,
PUTATIVE


(Vibrio cholerae)
PF00571
(CBS)
7 HIS A  54
ILE A 139
THR A 141
ASP A 144
THR A  28
ILE A  52
PRO A  56
PO4  A   1 (-3.8A)
None
PO4  A   1 (-3.0A)
None
None
PO4  A   1 (-4.4A)
None
0.90A 3kpbC-2o16A:
17.3
3kpbC-2o16A:
26.71
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.
2oox HYPOTHETICAL PROTEIN
C1556.08C IN
CHROMOSOME I


(Schizosaccharomyces
pombe)
no annotation 6 ILE G 303
ASP G 308
THR G 191
ILE G 216
SER G 217
PRO G 220
AMP  G 401 (-4.0A)
AMP  G 401 (-2.6A)
AMP  G 401 (-3.7A)
AMP  G 401 (-3.7A)
AMP  G 401 (-2.3A)
AMP  G 401 (-4.7A)
0.76A 3kpbC-2ooxG:
11.3
3kpbC-2ooxG:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p9m HYPOTHETICAL PROTEIN
MJ0922


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
5 ILE A  54
THR A  56
VAL A  83
ILE A  84
PRO A 113
None
0.70A 3kpbC-2p9mA:
17.6
3kpbC-2p9mA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p9m HYPOTHETICAL PROTEIN
MJ0922


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
5 ILE A  54
THR A  56
VAL A  83
ILE A 109
PRO A 113
None
0.57A 3kpbC-2p9mA:
17.6
3kpbC-2p9mA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p9m HYPOTHETICAL PROTEIN
MJ0922


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
5 ILE A 124
ASP A 129
THR A  15
ILE A  39
PRO A  43
None
0.98A 3kpbC-2p9mA:
17.6
3kpbC-2p9mA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p9m HYPOTHETICAL PROTEIN
MJ0922


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
5 ILE A 124
ASP A 129
THR A  15
VAL A  18
PRO A  43
None
0.49A 3kpbC-2p9mA:
17.6
3kpbC-2p9mA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p9m HYPOTHETICAL PROTEIN
MJ0922


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
6 ILE A 124
THR A  15
VAL A  18
ILE A  19
ILE A  39
PRO A  43
None
0.66A 3kpbC-2p9mA:
17.6
3kpbC-2p9mA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p9m HYPOTHETICAL PROTEIN
MJ0922


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
5 THR A  56
THR A  80
VAL A  83
ILE A  84
PRO A 113
None
0.84A 3kpbC-2p9mA:
17.6
3kpbC-2p9mA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p9m HYPOTHETICAL PROTEIN
MJ0922


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
5 THR A  56
THR A  80
VAL A  83
ILE A 109
PRO A 113
None
0.75A 3kpbC-2p9mA:
17.6
3kpbC-2p9mA:
37.68
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.
2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE


(Sulfolobus
solfataricus)
PF01557
(FAA_hydrolase)
5 ILE X 251
THR X 160
THR X 253
VAL X  76
PRO X  73
None
1.20A 3kpbC-2q1dX:
undetectable
3kpbC-2q1dX:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qby CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG 1


(Sulfolobus
solfataricus)
PF09079
(Cdc6_C)
PF13401
(AAA_22)
5 THR A 325
VAL A 343
ILE A 347
ILE A 372
SER A 317
None
1.27A 3kpbC-2qbyA:
undetectable
3kpbC-2qbyA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlv NUCLEAR PROTEIN SNF4

(Saccharomyces
cerevisiae)
PF00571
(CBS)
5 THR C 309
ASP C 312
THR C 195
SER C 221
PRO C 224
None
0.87A 3kpbC-2qlvC:
9.3
3kpbC-2qlvC:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rc3 CBS DOMAIN

(Nitrosomonas
europaea)
PF00571
(CBS)
8 HIS A 125
ILE A  72
THR A  74
ASP A  77
LYS A  81
THR A  99
VAL A 102
PRO A 127
NAD  A1000 (-3.9A)
None
BR  A 171 (-4.0A)
None
None
BR  A 177 ( 4.2A)
None
None
0.85A 3kpbC-2rc3A:
17.9
3kpbC-2rc3A:
29.29
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.
2ygt DELTA TOXIN

(Clostridium
perfringens)
PF07968
(Leukocidin)
5 ILE A 115
THR A 117
VAL A 120
SER A 135
PRO A 111
None
1.18A 3kpbC-2ygtA:
undetectable
3kpbC-2ygtA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzi HYPOTHETICAL PROTEIN
PH0107


(Pyrococcus
horikoshii)
PF00571
(CBS)
5 HIS A 106
ILE A 118
THR A 120
ASP A 123
THR A  15
None
0.62A 3kpbC-2yziA:
15.9
3kpbC-2yziA:
27.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzi HYPOTHETICAL PROTEIN
PH0107


(Pyrococcus
horikoshii)
PF00571
(CBS)
5 HIS A 106
THR A  56
ASP A  59
THR A  80
ILE A  84
None
1.23A 3kpbC-2yziA:
15.9
3kpbC-2yziA:
27.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzi HYPOTHETICAL PROTEIN
PH0107


(Pyrococcus
horikoshii)
PF00571
(CBS)
5 HIS A 106
THR A  56
THR A  80
ILE A  84
ILE A 104
None
0.82A 3kpbC-2yziA:
15.9
3kpbC-2yziA:
27.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzq PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780


(Pyrococcus
horikoshii)
PF00571
(CBS)
5 ILE A 106
THR A 108
ASP A 111
THR A   8
PRO A  36
None
0.70A 3kpbC-2yzqA:
16.0
3kpbC-2yzqA:
22.39
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.
2yzq PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780


(Pyrococcus
horikoshii)
PF00571
(CBS)
7 ILE A 172
ASP A 177
THR A 228
VAL A 231
ILE A 232
ILE A 252
PRO A 256
SAM  A6075 (-3.9A)
SAM  A6075 (-2.8A)
SAM  A6075 (-3.5A)
SAM  A6075 (-3.8A)
SAM  A6075 (-3.9A)
SAM  A6075 (-3.6A)
SAM  A6075 (-4.6A)
0.65A 3kpbC-2yzqA:
16.0
3kpbC-2yzqA:
22.39
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.
3ab0 BCLA PROTEIN

(Bacillus
anthracis)
no annotation 5 ILE A 136
THR A 180
ILE A 118
ILE A 128
SER A 187
None
1.28A 3kpbC-3ab0A:
undetectable
3kpbC-3ab0A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404


(Pyrococcus
horikoshii)
PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7)
5 ILE A 189
ASP A 334
THR A 209
ILE A 191
ILE A 362
None
1.18A 3kpbC-3af5A:
undetectable
3kpbC-3af5A:
10.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddj CBS
DOMAIN-CONTAINING
PROTEIN


(Sulfolobus
solfataricus)
PF00571
(CBS)
5 ILE A 254
THR A 256
ASP A 259
VAL A 147
PRO A 172
AMP  A 278 ( 4.5A)
AMP  A 278 (-3.1A)
AMP  A 278 (-2.7A)
AMP  A 278 ( 3.6A)
AMP  A 278 (-4.7A)
0.48A 3kpbC-3ddjA:
12.1
3kpbC-3ddjA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhm UNCHARACTERIZED
PROTEIN ATU1752


(Agrobacterium
fabrum)
PF00571
(CBS)
7 HIS A 105
ILE A  52
THR A  54
ASP A  57
THR A  79
VAL A  82
PRO A 107
NAI  A 211 ( 4.0A)
AMP  A 200 (-4.0A)
AMP  A 200 (-2.9A)
AMP  A 200 (-2.9A)
AMP  A 200 (-3.5A)
AMP  A 200 ( 4.3A)
AMP  A 200 (-4.7A)
0.80A 3kpbC-3fhmA:
16.7
3kpbC-3fhmA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhm UNCHARACTERIZED
PROTEIN ATU1752


(Agrobacterium
fabrum)
PF00571
(CBS)
5 HIS A 105
ILE A 117
ASP A 122
VAL A  16
ILE A  37
NAI  A 211 ( 4.0A)
NAI  A 211 (-4.2A)
NAI  A 211 (-2.8A)
NAI  A 211 (-3.7A)
NAI  A 211 (-3.8A)
0.88A 3kpbC-3fhmA:
16.7
3kpbC-3fhmA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fna POSSIBLE ARABINOSE
5-PHOSPHATE
ISOMERASE


(Escherichia
coli)
PF00571
(CBS)
5 ILE A 259
THR A 261
ASP A 264
THR A 285
ILE A 289
AMP  A 401 (-4.8A)
AMP  A 401 (-3.1A)
AMP  A 401 (-2.7A)
AMP  A 401 (-3.1A)
None
0.95A 3kpbC-3fnaA:
15.6
3kpbC-3fnaA:
22.07
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.
3fna POSSIBLE ARABINOSE
5-PHOSPHATE
ISOMERASE


(Escherichia
coli)
PF00571
(CBS)
7 ILE A 259
THR A 261
ASP A 264
THR A 285
ILE A 289
ILE A 309
SER A 311
AMP  A 401 (-4.8A)
AMP  A 401 (-3.1A)
AMP  A 401 (-2.7A)
AMP  A 401 (-3.1A)
None
AMP  A 401 (-4.4A)
None
1.36A 3kpbC-3fnaA:
15.6
3kpbC-3fnaA:
22.07
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.
3g1u ADENOSYLHOMOCYSTEINA
SE


(Leishmania
major)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 ILE A 139
VAL A 146
ILE A 149
ILE A 127
PRO A 173
None
1.20A 3kpbC-3g1uA:
undetectable
3kpbC-3g1uA:
16.13
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.
3k2v PUTATIVE D-ARABINOSE
5-PHOSPHATE
ISOMERASE


(Klebsiella
pneumoniae)
PF00571
(CBS)
5 ILE A 258
THR A 260
ASP A 263
THR A 284
ILE A 288
CMK  A   1 (-4.2A)
CMK  A   1 (-3.4A)
CMK  A   1 (-2.8A)
CMK  A   1 (-3.1A)
CMK  A   1 (-3.7A)
0.96A 3kpbC-3k2vA:
15.6
3kpbC-3k2vA:
21.13
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.
3k2v PUTATIVE D-ARABINOSE
5-PHOSPHATE
ISOMERASE


(Klebsiella
pneumoniae)
PF00571
(CBS)
6 ILE A 258
THR A 260
ASP A 263
THR A 284
ILE A 288
ILE A 308
CMK  A   1 (-4.2A)
CMK  A   1 (-3.4A)
CMK  A   1 (-2.8A)
CMK  A   1 (-3.1A)
CMK  A   1 (-3.7A)
CMK  A   1 (-3.7A)
0.79A 3kpbC-3k2vA:
15.6
3kpbC-3k2vA:
21.13
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.
3kh5 PROTEIN MJ1225

(Methanocaldococcus
jannaschii)
PF00571
(CBS)
5 ILE A  51
LYS A  66
VAL A  94
ILE A  95
PRO A 119
ADP  A 283 ( 4.2A)
ADP  A 283 ( 4.4A)
ADP  A 283 (-3.7A)
ADP  A 283 (-3.8A)
None
1.11A 3kpbC-3kh5A:
12.9
3kpbC-3kh5A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh5 PROTEIN MJ1225

(Methanocaldococcus
jannaschii)
PF00571
(CBS)
6 ILE A  51
THR A  53
ASP A  56
VAL A  94
ILE A  95
PRO A 119
ADP  A 283 ( 4.2A)
ADP  A 283 (-2.7A)
ADP  A 283 (-2.8A)
ADP  A 283 (-3.7A)
ADP  A 283 (-3.8A)
None
0.35A 3kpbC-3kh5A:
12.9
3kpbC-3kh5A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh5 PROTEIN MJ1225

(Methanocaldococcus
jannaschii)
PF00571
(CBS)
8 ILE A 193
THR A 195
ASP A 198
LYS A 201
VAL A 233
ILE A 234
ILE A 254
PRO A 258
AMP  A 282 ( 4.3A)
AMP  A 282 (-3.1A)
AMP  A 282 (-3.1A)
AMP  A 282 ( 3.7A)
AMP  A 282 (-3.8A)
AMP  A 282 (-3.9A)
AMP  A 282 (-4.1A)
None
0.95A 3kpbC-3kh5A:
12.9
3kpbC-3kh5A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh5 PROTEIN MJ1225

(Methanocaldococcus
jannaschii)
PF00571
(CBS)
8 ILE A 269
THR A 271
ASP A 274
LYS A 277
THR A 155
VAL A 158
ILE A 159
PRO A 183
ADP  A 284 ( 4.3A)
ADP  A 284 (-3.4A)
ADP  A 284 (-2.8A)
ADP  A 284 (-3.5A)
ADP  A 284 (-3.2A)
ADP  A 284 (-3.9A)
ADP  A 284 (-4.2A)
None
0.55A 3kpbC-3kh5A:
12.9
3kpbC-3kh5A:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kpb UNCHARACTERIZED
PROTEIN MJ0100


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
12 HIS A 421
ILE A 434
THR A 436
TRP A 438
ASP A 439
LYS A 442
THR A 456
VAL A 459
ILE A 460
ILE A 480
SER A 481
PRO A 484
None
SAM  A1000 ( 4.2A)
SAM  A1000 (-3.4A)
SAM  A1000 (-3.1A)
SAM  A1000 (-2.6A)
SAM  A1000 ( 3.7A)
SAM  A1000 (-3.0A)
SAM  A1000 ( 3.9A)
SAM  A1000 (-3.8A)
SAM  A1000 (-4.0A)
SAM  A1000 (-3.2A)
None
0.22A 3kpbC-3kpbA:
24.6
3kpbC-3kpbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kpb UNCHARACTERIZED
PROTEIN MJ0100


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
7 HIS A 421
ILE A 495
THR A 497
ASP A 500
ILE A 399
ILE A 419
PRO A 423
None
0.81A 3kpbC-3kpbA:
24.6
3kpbC-3kpbA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocm PUTATIVE MEMBRANE
PROTEIN


(Bordetella
parapertussis)
PF00571
(CBS)
5 THR A 443
ASP A 446
THR A 339
VAL A 344
PRO A 369
ADP  A 470 (-3.0A)
ADP  A 470 (-2.8A)
ADP  A 470 (-3.6A)
ADP  A 470 ( 4.0A)
None
0.58A 3kpbC-3ocmA:
10.1
3kpbC-3ocmA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oop LIN2960 PROTEIN

(Listeria
innocua)
PF01047
(MarR)
5 THR A  58
VAL A  39
ILE A  43
ILE A  49
SER A  50
None
1.20A 3kpbC-3oopA:
undetectable
3kpbC-3oopA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pen TRANSLATION
INITIATION FACTOR 2
SUBUNIT GAMMA


(Sulfolobus
solfataricus)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C)
5 ILE A 272
THR A 274
ILE A 316
ILE A 238
SER A 220
None
1.26A 3kpbC-3penA:
undetectable
3kpbC-3penA:
16.71
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN


(Bacillus
subtilis)
PF04069
(OpuAC)
5 ILE A  55
THR A  63
VAL A 261
ILE A 262
ILE A  86
None
1.16A 3kpbC-3ppoA:
undetectable
3kpbC-3ppoA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ram HMRA PROTEIN

(Staphylococcus
aureus)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
5 ILE A  65
THR A  67
VAL A 145
ILE A 146
ILE A 149
None
1.14A 3kpbC-3ramA:
undetectable
3kpbC-3ramA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tgw V-TYPE ATP SYNTHASE
BETA CHAIN


(Methanosarcina
mazei)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
5 ILE A 131
ASP A 135
THR A 129
ILE A 326
PRO A 339
None
1.18A 3kpbC-3tgwA:
undetectable
3kpbC-3tgwA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Bacillus
anthracis)
PF00478
(IMPDH)
PF00571
(CBS)
5 ILE A 137
THR A 139
ASP A 142
ILE A 183
PRO A 187
None
0.86A 3kpbC-3tsdA:
14.3
3kpbC-3tsdA:
16.82
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.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Bacillus
anthracis)
PF00478
(IMPDH)
PF00571
(CBS)
5 ILE A 137
THR A 139
ASP A 142
ILE A 183
PRO A 187
None
1.15A 3kpbC-3tsdA:
14.3
3kpbC-3tsdA:
16.82
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.
3vr5 V-TYPE SODIUM ATPASE
SUBUNIT B


(Enterococcus
hirae)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
5 ILE D 132
ASP D 136
THR D 130
ILE D 327
PRO D 340
None
1.19A 3kpbC-3vr5D:
undetectable
3kpbC-3vr5D:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zbv ANGIOGENIN-2

(Mus musculus)
PF00074
(RnaseA)
5 HIS A  13
ILE A  46
THR A  44
ILE A  56
ILE A 104
None
1.11A 3kpbC-3zbvA:
undetectable
3kpbC-3zbvA:
22.39
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.
3zbw ANGIOGENIN-3

(Mus musculus)
PF00074
(RnaseA)
5 HIS A  13
ILE A  46
THR A  44
ILE A  56
ILE A 104
SO4  A1123 (-4.1A)
None
None
None
None
1.17A 3kpbC-3zbwA:
undetectable
3kpbC-3zbwA:
20.71
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.
3zjc GTPASE IMAP FAMILY
MEMBER 7


(Homo sapiens)
PF04548
(AIG1)
5 HIS A 126
ILE A  95
VAL A  12
ILE A  11
PRO A  92
None
1.10A 3kpbC-3zjcA:
undetectable
3kpbC-3zjcA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dje CORRINOID/IRON-SULFU
R PROTEIN SMALL
SUBUNIT


(Moorella
thermoacetica)
PF03599
(CdhD)
5 ILE D 213
VAL D 249
ILE D 250
ILE D 184
PRO D 215
None
0.95A 3kpbC-4djeD:
undetectable
3kpbC-4djeD:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4esy CBS DOMAIN
CONTAINING MEMBRANE
PROTEIN


(Sphaerobacter
thermophilus)
PF00571
(CBS)
5 ILE A 359
THR A 361
ASP A 364
THR A 407
ILE A 431
None
1.08A 3kpbC-4esyA:
15.2
3kpbC-4esyA:
28.48
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.
4esy CBS DOMAIN
CONTAINING MEMBRANE
PROTEIN


(Sphaerobacter
thermophilus)
PF00571
(CBS)
5 ILE A 359
THR A 361
ASP A 364
THR A 407
PRO A 435
None
0.87A 3kpbC-4esyA:
15.2
3kpbC-4esyA:
28.48
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.
4esy CBS DOMAIN
CONTAINING MEMBRANE
PROTEIN


(Sphaerobacter
thermophilus)
PF00571
(CBS)
5 THR A 447
ASP A 450
LYS A 453
ILE A 344
PRO A 348
CL  A 502 (-4.1A)
None
None
None
None
1.09A 3kpbC-4esyA:
15.2
3kpbC-4esyA:
28.48
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.
4esy CBS DOMAIN
CONTAINING MEMBRANE
PROTEIN


(Sphaerobacter
thermophilus)
PF00571
(CBS)
5 THR A 447
ASP A 450
LYS A 453
ILE A 344
PRO A 348
CL  A 502 (-4.1A)
None
None
None
None
1.25A 3kpbC-4esyA:
15.2
3kpbC-4esyA:
28.48
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.
4fry PUTATIVE
SIGNAL-TRANSDUCTION
PROTEIN WITH CBS
DOMAINS


(Burkholderia
ambifaria)
PF00571
(CBS)
8 HIS A 107
ILE A  54
THR A  56
ASP A  59
LYS A  63
THR A  81
VAL A  84
PRO A 109
AMP  A 202 ( 3.7A)
AMP  A 202 (-4.1A)
AMP  A 202 (-2.9A)
AMP  A 202 (-2.6A)
AMP  A 202 ( 4.1A)
AMP  A 202 (-3.6A)
AMP  A 202 (-3.8A)
AMP  A 202 (-4.7A)
0.77A 3kpbC-4fryA:
16.4
3kpbC-4fryA:
29.25
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.
4gqw CBS
DOMAIN-CONTAINING
PROTEIN CBSX1,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00571
(CBS)
5 ILE A 215
THR A 217
THR A  82
ILE A 108
PRO A 112
None
0.94A 3kpbC-4gqwA:
16.7
3kpbC-4gqwA:
24.66
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.
4i0n NECROTIC ENTERITIS
TOXIN B


(Clostridium
perfringens)
PF07968
(Leukocidin)
5 ILE A 142
THR A 189
ILE A 137
ILE A 180
SER A 181
None
1.28A 3kpbC-4i0nA:
undetectable
3kpbC-4i0nA:
18.31
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.
4iys METAL TRANSPORTER
CNNM2


(Homo sapiens)
PF00571
(CBS)
5 ILE A 566
THR A 568
ASP A 571
THR A 451
PRO A 482
None
1.00A 3kpbC-4iysA:
10.4
3kpbC-4iysA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3b M1 FAMILY
AMINOPEPTIDASE


(Plasmodium
falciparum)
PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C)
5 LYS A1044
THR A 576
VAL A 579
ILE A 563
SER A 649
None
1.23A 3kpbC-4j3bA:
undetectable
3kpbC-4j3bA:
8.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nph PROBABLE SECRETION
SYSTEM APPARATUS ATP
SYNTHASE SSAN


(Salmonella
enterica)
PF00006
(ATP-synt_ab)
5 ILE A 143
ASP A 147
THR A 141
ILE A 329
PRO A 342
None
1.13A 3kpbC-4nphA:
undetectable
3kpbC-4nphA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o8m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Actinobacillus
succinogenes)
PF03480
(DctP)
5 HIS A 232
THR A 230
VAL A 302
ILE A 181
PRO A 108
None
1.19A 3kpbC-4o8mA:
undetectable
3kpbC-4o8mA:
16.57
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.
4o9k ARABINOSE
5-PHOSPHATE
ISOMERASE


(Methylococcus
capsulatus)
PF00571
(CBS)
5 THR A 256
ASP A 259
THR A 280
ILE A 304
PRO A 308
CMK  A 401 (-3.4A)
CMK  A 401 (-2.6A)
CMK  A 401 (-3.1A)
CMK  A 401 (-3.5A)
CMK  A 401 (-4.5A)
0.68A 3kpbC-4o9kA:
16.4
3kpbC-4o9kA:
29.50
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.
4qpc 10-FORMYLTETRAHYDROF
OLATE DEHYDROGENASE


(Danio rerio)
PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C)
5 HIS A  24
ILE A   3
VAL A  82
ILE A 103
ILE A 183
None
1.22A 3kpbC-4qpcA:
undetectable
3kpbC-4qpcA:
18.37
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.
4rer 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT GAMMA-1


(Homo sapiens)
PF00571
(CBS)
5 ILE G 312
ASP G 317
THR G 200
SER G 226
PRO G 229
AMP  G 403 (-3.6A)
AMP  G 403 (-2.9A)
AMP  G 403 (-3.5A)
AMP  G 403 (-2.3A)
None
1.03A 3kpbC-4rerG:
10.5
3kpbC-4rerG:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5awe PUTATIVE ACETOIN
UTILIZATION PROTEIN,
ACETOIN
DEHYDROGENASE


(Thermus
thermophilus)
PF00571
(CBS)
5 ILE A 120
THR A 122
ASP A 125
THR A   8
PRO A  36
None
0.63A 3kpbC-5aweA:
12.2
3kpbC-5aweA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5awe PUTATIVE ACETOIN
UTILIZATION PROTEIN,
ACETOIN
DEHYDROGENASE


(Thermus
thermophilus)
PF00571
(CBS)
5 THR A  48
ASP A  51
VAL A  85
ILE A 106
PRO A 110
None
0.67A 3kpbC-5aweA:
12.2
3kpbC-5aweA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis)
PF00916
(Sulfate_transp)
PF01740
(STAS)
5 ILE A 249
THR A 245
VAL A 292
ILE A  74
SER A  75
None
1.15A 3kpbC-5da0A:
undetectable
3kpbC-5da0A:
12.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG


(Caenorhabditis
elegans)
PF03159
(XRN_N)
5 LYS A 110
ILE A  59
ILE A 161
SER A 158
PRO A  61
SO4  A1788 (-3.2A)
None
None
None
None
1.21A 3kpbC-5firA:
undetectable
3kpbC-5firA:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5x SITE-2 PROTEASE

(Archaeoglobus
fulgidus)
PF00571
(CBS)
6 ILE A 277
THR A 279
ASP A 282
VAL A 300
ILE A 321
PRO A 325
ATP  A1355 (-4.1A)
ATP  A1355 (-2.4A)
ATP  A1355 (-1.9A)
ATP  A1355 (-3.8A)
ATP  A1355 (-4.5A)
None
0.56A 3kpbC-5g5xA:
17.3
3kpbC-5g5xA:
29.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis)
PF00916
(Sulfate_transp)
5 ILE A 249
THR A 245
VAL A 292
ILE A  74
SER A  75
None
1.16A 3kpbC-5iofA:
undetectable
3kpbC-5iofA:
14.25
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.
5j1d PHOSPHATE BINDING
PROTEIN


(Stenotrophomonas
maltophilia)
PF12849
(PBP_like_2)
5 HIS A 334
THR A 289
VAL A  95
ILE A  23
SER A  22
None
1.23A 3kpbC-5j1dA:
undetectable
3kpbC-5j1dA:
16.13
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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2


(Rattus
norvegicus)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
5 ILE A 284
THR A 282
VAL A 155
ILE A 156
ILE A 231
None
1.24A 3kpbC-5l2eA:
undetectable
3kpbC-5l2eA:
10.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila)
PF00128
(Alpha-amylase)
5 HIS B  81
VAL B 120
ILE B  85
SER B  79
PRO B  73
None
1.01A 3kpbC-5m99B:
undetectable
3kpbC-5m99B:
12.48
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.
5muw PACKAGING ENZYME P4

(Pseudomonas
virus phi6)
PF11602
(NTPase_P4)
5 ILE A 172
THR A  73
ILE A 146
ILE A 164
SER A 165
None
1.27A 3kpbC-5muwA:
undetectable
3kpbC-5muwA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nvd CBS-CP12

(Microcystis
aeruginosa)
no annotation 6 ILE A  52
THR A  54
ASP A  57
LYS A  61
ILE A 103
PRO A 107
None
0.93A 3kpbC-5nvdA:
14.7
3kpbC-5nvdA:
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.
5nvd CBS-CP12

(Microcystis
aeruginosa)
no annotation 5 ILE A 117
ASP A 122
LYS A 126
THR A  12
VAL A  15
None
0.84A 3kpbC-5nvdA:
14.7
3kpbC-5nvdA:
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.
5o32 COMPLEMENT FACTOR
H,COMPLEMENT FACTOR
H


(Homo sapiens)
PF00084
(Sushi)
5 ILE C1120
THR C1121
VAL C1134
ILE C1150
PRO C1112
None
1.20A 3kpbC-5o32C:
undetectable
3kpbC-5o32C:
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.
5swj PROBABLE ATP
SYNTHASE SPAL/MXIB


(Shigella
flexneri)
PF00006
(ATP-synt_ab)
5 ILE A 140
ASP A 144
THR A 138
ILE A 327
PRO A 340
None
1.12A 3kpbC-5swjA:
undetectable
3kpbC-5swjA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tc3 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Eremothecium
gossypii)
PF00478
(IMPDH)
PF00571
(CBS)
7 ILE A 163
THR A 165
ASP A 168
THR A 184
VAL A 187
ILE A 188
PRO A 212
ATP  A 601 ( 4.6A)
ATP  A 601 (-2.7A)
ATP  A 601 (-2.3A)
ATP  A 601 (-2.8A)
ATP  A 601 (-4.0A)
ATP  A 601 (-4.2A)
ATP  A 601 ( 4.9A)
0.54A 3kpbC-5tc3A:
14.9
3kpbC-5tc3A:
14.29
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.
5txw PEPTIDASE

(Thermococcus
thioreducens)
PF01965
(DJ-1_PfpI)
5 HIS A 101
THR A 122
VAL A 127
ILE A 107
PRO A 103
OCS  A 100 ( 3.8A)
None
None
None
OCS  A 100 ( 4.3A)
1.25A 3kpbC-5txwA:
undetectable
3kpbC-5txwA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Trypanosoma
brucei)
no annotation 5 ILE A 144
THR A 146
ASP A 149
THR A 164
PRO A 195
None
0.69A 3kpbC-5x8oA:
15.6
3kpbC-5x8oA:
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.
6all FE(3+)-CITRATE-BINDI
NG PROTEIN YFMC


(Bacillus
anthracis)
PF01497
(Peripla_BP_2)
5 HIS A  41
ILE A  39
THR A  46
ILE A 161
ILE A 119
None
1.18A 3kpbC-6allA:
undetectable
3kpbC-6allA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fur HUMAN F11 T-CELL
RECEPTOR


(Homo sapiens)
no annotation 5 HIS B 150
ILE B  11
THR B  12
VAL B 110
PRO B 148
None
GOL  B 307 (-4.4A)
None
None
None
1.20A 3kpbC-6furB:
undetectable
3kpbC-6furB:
undetectable