SIMILAR PATTERNS OF AMINO ACIDS FOR 3KPD_B_SAMB1000_0

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.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 ASP A 319
VAL A 244
ILE A 121
ASN A 233
ILE A 232
 None
 1.19A 3kpdB-1eljA:
0.0		 3kpdB-1eljA:
16.22
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 285
THR A 279
VAL A 277
ASN A 269
ILE A 270
 None
None
None
None
FAD  A 451 (-4.4A)
 1.12A 3kpdB-1geuA:
undetectable		 3kpdB-1geuA:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 3kpdB-1k3rA:
0.0		 3kpdB-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
 1.11A 3kpdB-1mabB:
undetectable		 3kpdB-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.
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
 1.19A 3kpdB-1ughI:
undetectable		 3kpdB-1ughI:
24.58
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
 0.98A 3kpdB-1xkfA:
16.0		 3kpdB-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.
1xq1 PUTATIVE TROPINONE
REDUCATSE

(Arabidopsis
thaliana) 		PF13561
(adh_short_C2) 		6 ILE A  41
THR A  43
VAL A  31
ILE A  30
ASN A  98
ILE A  97
 None
 1.19A 3kpdB-1xq1A:
undetectable		 3kpdB-1xq1A:
20.55
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.
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
 1.14A 3kpdB-1yv7A:
undetectable		 3kpdB-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.
2b4v RNA EDITING COMPLEX
PROTEIN MP57

(Trypanosoma
brucei) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		5 VAL A 323
ILE A 326
ILE A 281
SER A 278
PRO A 422
 None
 1.16A 3kpdB-2b4vA:
undetectable		 3kpdB-2b4vA:
13.78
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.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		5 ILE A 331
THR A 327
ILE A 306
ASN A 309
ILE A 308
 None
 1.19A 3kpdB-2d5wA:
undetectable		 3kpdB-2d5wA:
12.65
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
 1.10A 3kpdB-2ef7A:
14.0		 3kpdB-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
THR A  51
ASP A  54
THR A  74
ILE A  98
 None
 0.59A 3kpdB-2ef7A:
14.0		 3kpdB-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
THR A  51
LYS A  57
THR A  74
ILE A  98
 None
 1.04A 3kpdB-2ef7A:
14.0		 3kpdB-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 3kpdB-2g7iA:
undetectable		 3kpdB-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.
2mam AT-RICH INTERACTIVE
DOMAIN-CONTAINING
PROTEIN 4A

(Homo sapiens) 		no annotation 5 THR A  65
VAL A  63
ILE A  62
ILE A  76
SER A  78
 None
 1.18A 3kpdB-2mamA:
undetectable		 3kpdB-2mamA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o16 ACETOIN UTILIZATION
PROTEIN ACUB,
PUTATIVE

(Vibrio cholerae) 		PF00571
(CBS) 		6 ILE A 139
THR A 141
ASP A 144
THR A  28
ILE A  52
PRO A  56
 None
PO4  A   1 (-3.0A)
None
None
PO4  A   1 (-4.4A)
None
 0.78A 3kpdB-2o16A:
17.5		 3kpdB-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 7 ILE G 303
ASP G 308
THR G 191
ASN G 215
ILE G 216
SER G 217
PRO G 220
 AMP  G 401 (-4.0A)
AMP  G 401 (-2.6A)
AMP  G 401 (-3.7A)
None
AMP  G 401 (-3.7A)
AMP  G 401 (-2.3A)
AMP  G 401 (-4.7A)
 0.90A 3kpdB-2ooxG:
11.7		 3kpdB-2ooxG:
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.
2oux MAGNESIUM
TRANSPORTER

(Enterococcus
faecalis) 		PF00571
(CBS)
PF03448
(MgtE_N) 		5 VAL A 155
ILE A 202
ASN A 207
ILE A 188
SER A 189
 None
 1.15A 3kpdB-2ouxA:
14.9		 3kpdB-2ouxA:
18.68
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  54
THR A  56
VAL A  83
ILE A  84
ILE A 109
PRO A 113
 None
 0.68A 3kpdB-2p9mA:
17.5		 3kpdB-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
 1.03A 3kpdB-2p9mA:
17.5		 3kpdB-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) 		7 ILE A 124
ASP A 129
THR A  15
VAL A  18
ILE A  19
SER A  40
PRO A  43
 None
 0.77A 3kpdB-2p9mA:
17.5		 3kpdB-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) 		7 ILE A 124
THR A  15
VAL A  18
ILE A  19
ILE A  39
SER A  40
PRO A  43
 None
 0.83A 3kpdB-2p9mA:
17.5		 3kpdB-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
ASP A  59
ILE A  84
ILE A 109
PRO A 113
 None
 1.05A 3kpdB-2p9mA:
17.5		 3kpdB-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 THR A  56
THR A  80
VAL A  83
ILE A  84
ILE A 109
PRO A 113
 None
 0.76A 3kpdB-2p9mA:
17.5		 3kpdB-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
 1.17A 3kpdB-2q1dX:
undetectable		 3kpdB-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.
2rc3 CBS DOMAIN

(Nitrosomonas
europaea) 		PF00571
(CBS) 		7 ILE A  72
THR A  74
ASP A  77
LYS A  81
THR A  99
VAL A 102
PRO A 127
 None
BR  A 171 (-4.0A)
None
None
BR  A 177 ( 4.2A)
None
None
 0.84A 3kpdB-2rc3A:
18.3		 3kpdB-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.
2uv7 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00571
(CBS) 		5 ILE A 312
ASP A 317
THR A 200
SER A 226
PRO A 229
 AMP  A1324 (-3.7A)
AMP  A1324 (-2.9A)
AMP  A1324 (-3.0A)
AMP  A1324 (-2.7A)
None
 0.53A 3kpdB-2uv7A:
15.4		 3kpdB-2uv7A:
24.38
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.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		5 THR A 386
VAL A   7
ILE A 431
ILE A 416
SER A 417
 None
 0.98A 3kpdB-2vrkA:
undetectable		 3kpdB-2vrkA:
12.50
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.
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
 0.69A 3kpdB-2yzqA:
15.8		 3kpdB-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)
 0.54A 3kpdB-2yzqA:
15.8		 3kpdB-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.
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)
 0.33A 3kpdB-3ddjA:
12.6		 3kpdB-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.
3ddj CBS
DOMAIN-CONTAINING
PROTEIN

(Sulfolobus
solfataricus) 		PF00571
(CBS) 		5 THR A  47
ASP A  50
THR A  81
ASN A 104
PRO A 109
 PEG  A 279 (-4.4A)
None
None
None
None
 0.78A 3kpdB-3ddjA:
12.6		 3kpdB-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.
3ec2 DNA REPLICATION
PROTEIN DNAC

(Aquifex
aeolicus) 		PF01695
(IstB_IS21) 		5 ILE A 103
THR A  99
VAL A  71
ASN A 215
SER A 176
 None
 1.16A 3kpdB-3ec2A:
undetectable		 3kpdB-3ec2A:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhm UNCHARACTERIZED
PROTEIN ATU1752

(Agrobacterium
fabrum) 		PF00571
(CBS) 		6 ILE A  52
THR A  54
ASP A  57
THR A  79
VAL A  82
PRO A 107
 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)
 0.51A 3kpdB-3fhmA:
17.5		 3kpdB-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.
3flo DNA POLYMERASE ALPHA
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		5 ILE A 396
THR A 398
ILE A 476
SER A 419
PRO A 426
 None
 1.07A 3kpdB-3floA:
undetectable		 3kpdB-3floA:
13.62
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.
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
 0.93A 3kpdB-3fnaA:
15.1		 3kpdB-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) 		5 ILE A 259
THR A 261
ASP A 264
THR A 285
ILE A 309
 AMP  A 401 (-4.8A)
AMP  A 401 (-3.1A)
AMP  A 401 (-2.7A)
AMP  A 401 (-3.1A)
AMP  A 401 (-4.4A)
 1.07A 3kpdB-3fnaA:
15.1		 3kpdB-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.
3ilh TWO COMPONENT
RESPONSE REGULATOR

(Cytophaga
hutchinsonii) 		PF00072
(Response_reg) 		5 ILE A  27
THR A  30
VAL A  33
ILE A   7
ASN A 129
 None
 1.12A 3kpdB-3ilhA:
undetectable		 3kpdB-3ilhA:
20.81
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.
3jaz VIRAL STRUCTURAL
PROTEIN 5

(Cypovirus 1) 		no annotation 5 ILE D 230
THR D 233
ILE D  79
ILE D 187
SER D 188
 None
 1.19A 3kpdB-3jazD:
undetectable		 3kpdB-3jazD:
14.41
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.
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)
 0.97A 3kpdB-3k2vA:
15.4		 3kpdB-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) 		5 ILE A 258
THR A 260
ASP A 263
THR A 284
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)
 0.83A 3kpdB-3k2vA:
15.4		 3kpdB-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) 		5 ILE A 258
THR A 260
THR A 284
ILE A 288
ILE A 308
 CMK  A   1 (-4.2A)
CMK  A   1 (-3.4A)
CMK  A   1 (-3.1A)
CMK  A   1 (-3.7A)
CMK  A   1 (-3.7A)
 0.89A 3kpdB-3k2vA:
15.4		 3kpdB-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.
3kbq PROTEIN TA0487

(Thermoplasma
acidophilum) 		PF00994
(MoCF_biosynth) 		5 ILE A  49
THR A  77
VAL A  42
ASN A  21
SER A  65
 None
 1.17A 3kpdB-3kbqA:
undetectable		 3kpdB-3kbqA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kf8 PROTEIN TEN1

(Candida
tropicalis) 		PF12658
(Ten1) 		5 ILE B  58
ILE B  82
ASN B  92
ILE B  91
PRO B   8
 None
 1.11A 3kpdB-3kf8B:
undetectable		 3kpdB-3kf8B:
27.94
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.15A 3kpdB-3kh5A:
12.7		 3kpdB-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) 		7 ILE A  51
THR A  53
ASP A  56
VAL A  94
ILE A  95
ASN A 114
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)
ADP  A 284 ( 4.9A)
None
 0.58A 3kpdB-3kh5A:
12.7		 3kpdB-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) 		7 ILE A 193
THR A 195
ASP A 198
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 (-3.8A)
AMP  A 282 (-3.9A)
AMP  A 282 (-4.1A)
None
 0.46A 3kpdB-3kh5A:
12.7		 3kpdB-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) 		7 ILE A 193
THR A 195
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 ( 3.7A)
AMP  A 282 (-3.8A)
AMP  A 282 (-3.9A)
AMP  A 282 (-4.1A)
None
 0.82A 3kpdB-3kh5A:
12.7		 3kpdB-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
 0.43A 3kpdB-3kh5A:
12.7		 3kpdB-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) 		5 ILE A 269
THR A 271
ASP A 274
THR A 155
ASN A 114
 ADP  A 284 ( 4.3A)
ADP  A 284 (-3.4A)
ADP  A 284 (-2.8A)
ADP  A 284 (-3.2A)
ADP  A 284 ( 4.9A)
 1.20A 3kpdB-3kh5A:
12.7		 3kpdB-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) 		10 ILE A 434
THR A 436
ASP A 439
LYS A 442
THR A 456
VAL A 459
ILE A 460
ASN A 479
ILE A 480
PRO A 484
 SAM  A1000 ( 4.2A)
SAM  A1000 (-3.4A)
SAM  A1000 (-2.6A)
SAM  A1000 ( 3.7A)
SAM  A1000 (-3.0A)
SAM  A1000 ( 3.9A)
SAM  A1000 (-3.8A)
None
SAM  A1000 (-4.0A)
None
 0.80A 3kpdB-3kpbA:
21.9		 3kpdB-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) 		9 ILE A 434
THR A 436
TRP A 438
ASP A 439
LYS A 442
THR A 456
VAL A 459
ILE A 460
PRO A 484
 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)
None
 0.80A 3kpdB-3kpbA:
21.9		 3kpdB-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) 		8 ILE A 434
THR A 436
VAL A 459
ILE A 460
ASN A 479
ILE A 480
SER A 481
PRO A 484
 SAM  A1000 ( 4.2A)
SAM  A1000 (-3.4A)
SAM  A1000 ( 3.9A)
SAM  A1000 (-3.8A)
None
SAM  A1000 (-4.0A)
SAM  A1000 (-3.2A)
None
 0.68A 3kpdB-3kpbA:
21.9		 3kpdB-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 ILE A 495
THR A 497
ASP A 500
ILE A 399
ASN A 418
ILE A 419
PRO A 423
 None
 0.76A 3kpdB-3kpbA:
21.9		 3kpdB-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
 0.65A 3kpdB-3ocmA:
10.1		 3kpdB-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
 1.17A 3kpdB-3oopA:
undetectable		 3kpdB-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.
3p3v PTS SYSTEM,
N-ACETYLGALACTOSAMIN
E-SPECIFIC IIB
COMPONENT

(Streptococcus
pyogenes) 		PF03830
(PTSIIB_sorb) 		5 ILE A 117
THR A 118
ILE A 108
ASN A 104
ILE A 105
 None
 1.18A 3kpdB-3p3vA:
undetectable		 3kpdB-3p3vA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Candida
albicans) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ILE A  18
VAL A  32
ILE A  35
ASN A 106
ILE A 105
 None
 1.03A 3kpdB-3qo7A:
undetectable		 3kpdB-3qo7A:
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.
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
 1.06A 3kpdB-3ramA:
undetectable		 3kpdB-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.
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
 0.87A 3kpdB-3tsdA:
14.6		 3kpdB-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 THR A 139
ASP A 142
ILE A 163
ILE A 183
PRO A 187
 None
 0.82A 3kpdB-3tsdA:
14.6		 3kpdB-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.
3v2b POLY [ADP-RIBOSE]
POLYMERASE 15

(Homo sapiens) 		PF01661
(Macro) 		5 THR A 303
VAL A 300
ILE A 299
ILE A 317
PRO A 384
 None
 1.03A 3kpdB-3v2bA:
undetectable		 3kpdB-3v2bA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zd1 COMPLEMENT FACTOR
H-RELATED PROTEIN 2

(Homo sapiens) 		PF00084
(Sushi) 		5 ILE A 142
THR A 143
VAL A 156
ILE A 172
PRO A 134
 EDO  A1257 (-4.7A)
None
None
None
None
 1.13A 3kpdB-3zd1A:
undetectable		 3kpdB-3zd1A:
22.00
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.
3zpy ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		5 ILE A 215
THR A 233
ASP A 231
ILE A 208
ASN A 211
 None
 1.17A 3kpdB-3zpyA:
undetectable		 3kpdB-3zpyA:
20.56
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.
487d PROTEIN (50S L9
RIBOSOMAL PROTEIN)

(Geobacillus
stearothermophilus) 		PF01281
(Ribosomal_L9_N)
PF03948
(Ribosomal_L9_C) 		6 ILE K 121
THR K 127
VAL K 145
ILE K  79
ILE K  98
SER K  95
 None
 1.36A 3kpdB-487dK:
undetectable		 3kpdB-487dK:
24.28
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.
4aey D-ERYTHRO-7,8-DIHYDR
ONEOPTERIN
TRIPHOSPHATE
EPIMERASE

(Pseudomonas
aeruginosa) 		PF02152
(FolB) 		5 ILE A  68
THR A  64
ILE A  86
ASN A  38
ILE A  37
 None
 1.03A 3kpdB-4aeyA:
undetectable		 3kpdB-4aeyA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 3kpdB-4esyA:
14.4		 3kpdB-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) 		7 ILE A  54
THR A  56
ASP A  59
LYS A  63
THR A  81
VAL A  84
PRO A 109
 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)
 0.74A 3kpdB-4fryA:
17.0		 3kpdB-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.
4gdn PROTEIN FLP

(Staphylococcus
aureus) 		PF00144
(Beta-lactamase) 		5 ILE A 278
VAL A  64
ILE A  63
ASN A 366
ILE A 347
 None
 0.98A 3kpdB-4gdnA:
undetectable		 3kpdB-4gdnA:
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Ustilago maydis) 		PF01336
(tRNA_anti-codon)
PF08646
(Rep_fac-A_C)
PF16900
(REPA_OB_2) 		5 ILE C 255
THR C 282
ILE C 231
ASN C 261
ILE C 276
 None
 1.18A 3kpdB-4gnxC:
undetectable		 3kpdB-4gnxC:
13.48
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.
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
 1.10A 3kpdB-4gqwA:
16.2		 3kpdB-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.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		5 ILE A 159
LYS A 130
THR A 161
VAL A 187
SER A 171
 None
None
None
None
CL  A 401 ( 3.9A)
 1.19A 3kpdB-4hqfA:
undetectable		 3kpdB-4hqfA:
16.01
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.
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
 0.85A 3kpdB-4iysA:
10.9		 3kpdB-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.
4kgk THG1-LIKE
UNCHARACTERIZED
PROTEIN

(Bacillus
thuringiensis) 		PF04446
(Thg1) 		5 ILE A 100
VAL A  27
ILE A  79
ASN A  63
ILE A  64
 None
 1.16A 3kpdB-4kgkA:
undetectable		 3kpdB-4kgkA:
18.95
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.
4lb8 UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF16140
(DUF4848) 		5 ILE A 291
THR A 290
VAL A 308
ILE A 189
SER A 184
 None
 1.19A 3kpdB-4lb8A:
undetectable		 3kpdB-4lb8A:
17.91
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.
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)
 0.58A 3kpdB-4o9kA:
16.5		 3kpdB-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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 ASP A 201
LYS A 237
VAL A  43
ILE A  44
ILE A 142
 None
 1.14A 3kpdB-4p5hA:
undetectable		 3kpdB-4p5hA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 5 ASP H1037
VAL H1041
ILE H1042
ASN H 479
ILE H1055
 None
 1.13A 3kpdB-4qslH:
undetectable		 3kpdB-4qslH:
8.05
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.
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
 0.69A 3kpdB-4rerG:
10.8		 3kpdB-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
 0.68A 3kpdB-5aweA:
11.9		 3kpdB-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
 0.58A 3kpdB-5aweA:
11.9		 3kpdB-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.
5dbo TRANSLATION
INITIATION FACTOR
EIF-2B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF01008
(IF-2B) 		5 ILE A 334
VAL A 311
ILE A 286
ASN A 281
ILE A 280
 None
 1.14A 3kpdB-5dboA:
undetectable		 3kpdB-5dboA:
14.32
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.
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
 0.55A 3kpdB-5g5xA:
17.0		 3kpdB-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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 TRP B 390
ASP B 412
ILE B 350
ASN B 368
ILE B 365
 None
 1.18A 3kpdB-5hz1B:
undetectable		 3kpdB-5hz1B:
11.35
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.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 5 ILE B  77
THR B  81
ILE B 350
ILE B  67
PRO B 348
 None
 1.13A 3kpdB-5ltmB:
undetectable		 3kpdB-5ltmB:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 5 THR B  81
ILE B 350
ASN B  68
ILE B  67
PRO B 348
 None
 1.05A 3kpdB-5ltmB:
undetectable		 3kpdB-5ltmB:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nvd CBS-CP12

(Microcystis
aeruginosa) 		no annotation 5 ILE A  52
ASP A  57
LYS A  61
ILE A 103
PRO A 107
 None
 1.01A 3kpdB-5nvdA:
15.3		 3kpdB-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  52
THR A  54
ASP A  57
LYS A  61
ILE A 103
 None
 0.62A 3kpdB-5nvdA:
15.3		 3kpdB-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
 0.94A 3kpdB-5nvdA:
15.3		 3kpdB-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
 1.16A 3kpdB-5o32C:
undetectable		 3kpdB-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
 1.14A 3kpdB-5swjA:
undetectable		 3kpdB-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)
 0.43A 3kpdB-5tc3A:
14.0		 3kpdB-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.
5uic TWO-COMPONENT
RESPONSE REGULATOR

(Francisella
tularensis) 		PF00072
(Response_reg) 		5 ILE A  75
VAL A  73
ILE A  71
ASN A  68
ILE A  66
 None
 1.19A 3kpdB-5uicA:
undetectable		 3kpdB-5uicA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 ILE C 253
THR C 518
ASP C 517
VAL C 226
ILE C 224
 None
GOL  C 811 (-4.8A)
None
None
None
 1.14A 3kpdB-5y6qC:
undetectable		 3kpdB-5y6qC:
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.
5yh1 -

(-) 		no annotation 5 ILE A 581
THR A 376
THR A 582
ILE A 578
ILE A 575
 None
 1.19A 3kpdB-5yh1A:
undetectable		 3kpdB-5yh1A:
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.
5yhj CYTOCHROME P450

(Exiguobacterium
sp. AT1b) 		no annotation 5 ILE A 368
THR A 115
THR A 241
ASN A 107
ILE A 108
 None
None
HEM  A 501 (-3.4A)
None
None
 1.08A 3kpdB-5yhjA:
undetectable		 3kpdB-5yhjA:
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.
5ywz SUN
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		no annotation 5 ILE A 719
VAL A 708
ILE A 707
ASN A 730
ILE A 727
 None
 1.10A 3kpdB-5ywzA:
undetectable		 3kpdB-5ywzA:
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.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 5 ILE A  10
ASP A  12
THR A  51
VAL A  53
SER A 793
 None
 1.02A 3kpdB-6bogA:
undetectable		 3kpdB-6bogA:
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.
6d6v TELOMERASE
HOLOENZYME TEB2
SUBUNIT

(Tetrahymena
thermophila) 		no annotation 5 VAL E  99
ILE E 100
ILE E  85
SER E  78
PRO E  83
 None
 1.11A 3kpdB-6d6vE:
undetectable		 3kpdB-6d6vE:
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.
6esl BACTERIAL LEUCYL
AMINOPEPTIDASE

(Legionella
pneumophila) 		no annotation 5 THR A 271
VAL A 266
ILE A 191
ILE A 215
SER A 214
 None
 1.11A 3kpdB-6eslA:
undetectable		 3kpdB-6eslA:
undetectable