SIMILAR PATTERNS OF AMINO ACIDS FOR 3KPD_C_SAMC1000_1

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.
1dbu CYSTEINYL-TRNA(PRO)
DEACYLASE

(Haemophilus
influenzae) 		PF04073
(tRNA_edit) 		5 THR A 119
VAL A  63
ASN A  71
ILE A 155
VAL A 115
 None
 1.09A 3kpdC-1dbuA:
0.0		 3kpdC-1dbuA:
27.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k9m RIBOSOMAL PROTEIN
L10E

(Haloarcula
marismortui) 		PF00252
(Ribosomal_L16) 		5 ILE J  23
VAL J  92
ILE J  93
VAL J 119
PRO J 118
 None
 0.89A 3kpdC-1k9mJ:
0.0		 3kpdC-1k9mJ:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ILE B  84
THR B 238
ILE B  98
ILE B  82
VAL B  97
 None
 1.04A 3kpdC-1mabB:
undetectable		 3kpdC-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.
1udq RIBONUCLEASE PH

(Aquifex
aeolicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ILE A 130
THR A 131
ASN A 226
ILE A 225
VAL A 189
 None
 1.04A 3kpdC-1udqA:
undetectable		 3kpdC-1udqA:
20.80
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
 0.92A 3kpdC-1xkfA:
16.9		 3kpdC-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.
1ys9 PROTEIN SPY1043

(Streptococcus
pyogenes) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ASP A 148
ILE A 143
ILE A 179
VAL A 177
PRO A 176
 None
 0.99A 3kpdC-1ys9A:
undetectable		 3kpdC-1ys9A:
18.50
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.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		5 THR A 159
ILE A 195
ASN A 205
ILE A 212
VAL A 214
 None
 1.08A 3kpdC-1yxyA:
undetectable		 3kpdC-1yxyA:
18.78
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ILE A 139
THR A 141
ASP A 144
THR A 160
PRO A 189
 None
 0.90A 3kpdC-1zfjA:
15.7		 3kpdC-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
VAL A 125
PRO A 126
 None
 0.70A 3kpdC-1zfjA:
15.7		 3kpdC-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
ILE A 122
SER A 123
VAL A 125
PRO A 126
 None
 1.01A 3kpdC-1zfjA:
15.7		 3kpdC-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.
2b7y FAVIN BETA CHAIN
FAVIN ALPHA CHAIN

(Vicia faba;
Vicia faba) 		PF00139
(Lectin_legB)
PF00139
(Lectin_legB) 		5 THR A  93
ILE A  53
ILE A  88
VAL B 198
PRO B 199
 None
 1.09A 3kpdC-2b7yA:
undetectable		 3kpdC-2b7yA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bqp PROTEIN (PEA LECTIN)

(Pisum sativum) 		PF00139
(Lectin_legB) 		5 THR A  92
ILE A  52
ILE A  87
VAL A 203
PRO A 204
 None
 1.03A 3kpdC-2bqpA:
undetectable		 3kpdC-2bqpA:
16.31
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
 0.69A 3kpdC-2ef7A:
14.2		 3kpdC-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  74
ASN A  97
ILE A  98
PRO A 102
 None
 1.03A 3kpdC-2ef7A:
14.2		 3kpdC-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 VAL A  14
ILE A  15
ASN A  34
ILE A  35
VAL A  38
 None
 0.53A 3kpdC-2ef7A:
14.2		 3kpdC-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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
mutans) 		PF00171
(Aldedh) 		5 ILE A 359
ILE A 362
ILE A 338
VAL A 382
PRO A 381
 None
 1.00A 3kpdC-2euhA:
undetectable		 3kpdC-2euhA:
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.
2few PTS SYSTEM
MANNITOL-SPECIFIC
EIICBA COMPONENT

(Escherichia
coli) 		PF00359
(PTS_EIIA_2) 		5 VAL A 101
ILE A 102
ILE A  61
VAL A  63
PRO A  64
 None
 1.04A 3kpdC-2fewA:
undetectable		 3kpdC-2fewA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzb KUNITZ-TYPE
PROTEINASE INHIBITOR
BBCI

(Bauhinia
bauhinioides) 		PF00197
(Kunitz_legume) 		5 VAL A   2
ILE A   3
ILE A  67
VAL A  11
PRO A  10
 None
 0.94A 3kpdC-2gzbA:
undetectable		 3kpdC-2gzbA:
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.
2j4t ANGIOGENIN-4

(Mus musculus) 		PF00074
(RnaseA) 		5 ILE A  69
VAL A 102
ILE A 103
ASN A  51
ILE A  55
 None
 0.99A 3kpdC-2j4tA:
undetectable		 3kpdC-2j4tA:
22.22
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.
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
 0.49A 3kpdC-2j9lA:
12.3		 3kpdC-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.
2ji4 PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 2

(Homo sapiens) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 ASP A 340
ILE A  75
ILE A  38
SER A 346
PRO A 109
 None
 1.07A 3kpdC-2ji4A:
undetectable		 3kpdC-2ji4A:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 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
ASP A 144
THR A  28
ILE A  52
VAL A  55
PRO A  56
 None
None
None
PO4  A   1 (-4.4A)
None
None
 0.72A 3kpdC-2o16A:
18.0		 3kpdC-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) 		6 ILE A 139
THR A 141
ASP A 144
ILE A  52
VAL A  55
PRO A  56
 None
PO4  A   1 (-3.0A)
None
PO4  A   1 (-4.4A)
None
None
 0.63A 3kpdC-2o16A:
18.0		 3kpdC-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 8 ILE G 303
ASP G 308
THR G 191
ASN G 215
ILE G 216
SER G 217
VAL G 219
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 ( 4.4A)
AMP  G 401 (-4.7A)
 0.87A 3kpdC-2ooxG:
11.7		 3kpdC-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) 		6 ILE A  54
THR A  56
VAL A  83
ILE A  84
ILE A 109
PRO A 113
 None
 0.70A 3kpdC-2p9mA:
17.9		 3kpdC-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
ASP A 129
THR A  15
VAL A  18
ILE A  19
PRO A  43
 None
 0.77A 3kpdC-2p9mA:
17.9		 3kpdC-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
VAL A  18
ILE A  19
ILE A  39
PRO A  43
 None
 0.70A 3kpdC-2p9mA:
17.9		 3kpdC-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
ASP A  59
THR A  80
ILE A  84
ILE A 109
PRO A 113
 None
 1.25A 3kpdC-2p9mA:
17.9		 3kpdC-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
 0.81A 3kpdC-2p9mA:
17.9		 3kpdC-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.
2qlv NUCLEAR PROTEIN SNF4

(Saccharomyces
cerevisiae) 		PF00571
(CBS) 		6 THR C 309
ASP C 312
THR C 195
SER C 221
VAL C 223
PRO C 224
 None
 1.06A 3kpdC-2qlvC:
8.7		 3kpdC-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) 		6 ILE A  72
THR A  74
ASP A  77
THR A  99
VAL A 102
PRO A 127
 None
BR  A 171 (-4.0A)
None
BR  A 177 ( 4.2A)
None
None
 0.67A 3kpdC-2rc3A:
17.7		 3kpdC-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.
2re7 UNCHARACTERIZED
PROTEIN

(Psychrobacter
arcticus) 		PF16242
(Pyrid_ox_like) 		5 ILE A  68
VAL A 122
ILE A  48
ILE A  83
SER A  82
 None
 1.03A 3kpdC-2re7A:
undetectable		 3kpdC-2re7A:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rif CONSERVED PROTEIN
WITH 2 CBS DOMAINS

(Pyrobaculum
aerophilum) 		PF00571
(CBS) 		5 ASP A  55
ILE A  78
ASN A  97
ILE A  98
VAL A 101
 AMP  A 301 (-2.7A)
AMP  A 301 (-3.6A)
None
AMP  A 301 (-3.8A)
AMP  A 301 ( 4.5A)
 0.70A 3kpdC-2rifA:
17.9		 3kpdC-2rifA:
29.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vc6 DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		5 VAL A  72
ILE A  73
ILE A   6
VAL A  39
PRO A  40
 None
 0.87A 3kpdC-2vc6A:
undetectable		 3kpdC-2vc6A:
15.75
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.
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
 1.05A 3kpdC-2vrkA:
undetectable		 3kpdC-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
 0.70A 3kpdC-2yzqA:
16.8		 3kpdC-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)
 0.64A 3kpdC-2yzqA:
16.8		 3kpdC-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.
2zau SELENIDE, WATER
DIKINASE

(Aquifex
aeolicus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A 178
THR A 174
ILE A 195
ILE A  75
VAL A  66
 None
 1.04A 3kpdC-2zauA:
undetectable		 3kpdC-2zauA:
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.
3db2 PUTATIVE
NADPH-DEPENDENT
OXIDOREDUCTASE

(Desulfitobacterium
hafniense) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A  10
VAL A  81
ILE A  82
ILE A  92
VAL A  94
 None
 1.08A 3kpdC-3db2A:
undetectable		 3kpdC-3db2A:
16.86
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.
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 3kpdC-3ddjA:
12.8		 3kpdC-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
 0.90A 3kpdC-3ddjA:
12.8		 3kpdC-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.
3do6 FORMATE--TETRAHYDROF
OLATE LIGASE

(Thermotoga
maritima) 		PF01268
(FTHFS) 		5 ILE A  25
THR A 115
ASN A 268
ILE A 255
PRO A 106
 None
 0.98A 3kpdC-3do6A:
undetectable		 3kpdC-3do6A:
11.95
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.
3fhm UNCHARACTERIZED
PROTEIN ATU1752

(Agrobacterium
fabrum) 		PF00571
(CBS) 		7 ILE A  52
THR A  54
ASP A  57
THR A  79
VAL A  82
VAL A 106
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 ( 4.9A)
AMP  A 200 (-4.7A)
 0.54A 3kpdC-3fhmA:
17.3		 3kpdC-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 ILE A 117
ASP A 122
VAL A  16
ILE A  37
VAL A  40
 NAI  A 211 (-4.2A)
NAI  A 211 (-2.8A)
NAI  A 211 (-3.7A)
NAI  A 211 (-3.8A)
NAI  A 211 ( 4.5A)
 0.58A 3kpdC-3fhmA:
17.3		 3kpdC-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
ILE A 309
VAL A 312
 AMP  A 401 (-4.8A)
AMP  A 401 (-3.1A)
AMP  A 401 (-2.7A)
AMP  A 401 (-4.4A)
None
 0.82A 3kpdC-3fnaA:
16.3		 3kpdC-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
VAL A 312
 AMP  A 401 (-4.8A)
AMP  A 401 (-3.1A)
AMP  A 401 (-2.7A)
AMP  A 401 (-3.1A)
None
 0.83A 3kpdC-3fnaA:
16.3		 3kpdC-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
ILE A 289
ILE A 309
VAL A 312
 AMP  A 401 (-4.8A)
AMP  A 401 (-3.1A)
None
AMP  A 401 (-4.4A)
None
 1.02A 3kpdC-3fnaA:
16.3		 3kpdC-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
THR A 285
ILE A 289
VAL A 312
 AMP  A 401 (-4.8A)
AMP  A 401 (-3.1A)
AMP  A 401 (-3.1A)
None
None
 0.96A 3kpdC-3fnaA:
16.3		 3kpdC-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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ASP B 198
ILE B 461
ILE B 178
SER B 179
VAL B 181
 None
 1.08A 3kpdC-3jcmB:
undetectable		 3kpdC-3jcmB:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 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
VAL A 311
 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 (-4.3A)
 1.43A 3kpdC-3k2vA:
16.3		 3kpdC-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 308
VAL A 311
 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 (-4.3A)
 0.95A 3kpdC-3k2vA:
16.3		 3kpdC-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
THR A 284
ILE A 288
ILE A 308
VAL A 311
 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)
CMK  A   1 (-4.3A)
 1.01A 3kpdC-3k2vA:
16.3		 3kpdC-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) 		6 ILE A  51
THR A  53
ASP A  56
VAL A  94
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 284 ( 4.9A)
None
 0.56A 3kpdC-3kh5A:
12.6		 3kpdC-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
 0.51A 3kpdC-3kh5A:
12.6		 3kpdC-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
 0.59A 3kpdC-3kh5A:
12.6		 3kpdC-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 269
THR A 271
ASP A 274
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 (-3.2A)
ADP  A 284 (-3.9A)
ADP  A 284 (-4.2A)
None
 0.44A 3kpdC-3kh5A:
12.6		 3kpdC-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) 		11 ILE A 434
THR A 436
ASP A 439
THR A 456
VAL A 459
ILE A 460
ASN A 479
ILE A 480
SER A 481
VAL A 483
PRO A 484
 SAM  A1000 ( 4.2A)
SAM  A1000 (-3.4A)
SAM  A1000 (-2.6A)
SAM  A1000 (-3.0A)
SAM  A1000 ( 3.9A)
SAM  A1000 (-3.8A)
None
SAM  A1000 (-4.0A)
SAM  A1000 (-3.2A)
SAM  A1000 ( 4.4A)
None
 0.66A 3kpdC-3kpbA:
21.5		 3kpdC-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 434
THR A 436
TRP A 438
ASP A 439
THR A 456
ILE A 460
ASN A 479
 SAM  A1000 ( 4.2A)
SAM  A1000 (-3.4A)
SAM  A1000 (-3.1A)
SAM  A1000 (-2.6A)
SAM  A1000 (-3.0A)
SAM  A1000 (-3.8A)
None
 0.98A 3kpdC-3kpbA:
21.5		 3kpdC-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
 0.86A 3kpdC-3kpbA:
21.5		 3kpdC-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.
3lhl PUTATIVE AGMATINASE

(Clostridioides
difficile) 		PF00491
(Arginase) 		5 THR A 114
ASP A 258
VAL A 130
ILE A 166
ILE A 154
 None
 1.06A 3kpdC-3lhlA:
undetectable		 3kpdC-3lhlA:
18.41
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.
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
 0.63A 3kpdC-3ocmA:
10.1		 3kpdC-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.
3oco HEMOLYSIN-LIKE
PROTEIN CONTAINING
CBS DOMAINS

(Oenococcus oeni) 		PF00571
(CBS) 		5 ILE A 334
THR A 336
ASP A 339
SER A 257
PRO A 260
 None
 1.05A 3kpdC-3ocoA:
13.5		 3kpdC-3ocoA:
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.
3oop LIN2960 PROTEIN

(Listeria
innocua) 		PF01047
(MarR) 		5 THR A  58
VAL A  39
ILE A  43
ILE A  49
SER A  50
 None
 1.08A 3kpdC-3oopA:
undetectable		 3kpdC-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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 ASP A 135
ILE A 216
ILE A 252
VAL A 143
PRO A 144
 None
 0.91A 3kpdC-3q9oA:
undetectable		 3kpdC-3q9oA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 ILE A 140
ILE A 216
ILE A 252
VAL A 143
PRO A 144
 None
 0.89A 3kpdC-3q9oA:
undetectable		 3kpdC-3q9oA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.94A 3kpdC-3tsdA:
14.4		 3kpdC-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
 0.93A 3kpdC-3tsdA:
14.4		 3kpdC-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 200
ASP A 203
SER A 121
VAL A 123
PRO A 124
 None
 0.57A 3kpdC-3tsdA:
14.4		 3kpdC-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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ILE A2046
THR A2045
VAL A2057
SER A2010
VAL A2014
 None
 1.05A 3kpdC-3vkgA:
undetectable		 3kpdC-3vkgA:
3.49
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.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF04850
(Baculo_E66) 		5 ILE A 435
ASN A 504
ILE A 505
SER A 596
VAL A 519
 None
 1.06A 3kpdC-3vsmA:
undetectable		 3kpdC-3vsmA:
11.36
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.
3zbw ANGIOGENIN-3

(Mus musculus) 		PF00074
(RnaseA) 		5 ILE A  70
VAL A 103
ILE A 104
ASN A  52
ILE A  56
 None
 1.00A 3kpdC-3zbwA:
undetectable		 3kpdC-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.
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
 1.25A 3kpdC-487dK:
undetectable		 3kpdC-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) 		6 ILE A  68
THR A  64
ILE A  86
ASN A  38
ILE A  37
VAL A  71
 None
 1.39A 3kpdC-4aeyA:
undetectable		 3kpdC-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
 1.08A 3kpdC-4esyA:
13.7		 3kpdC-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
 0.88A 3kpdC-4esyA:
13.7		 3kpdC-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.
4f3s PUTATIVE PERIPLASMIC
BINDING PROTEIN

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		5 ILE A  78
ASP A 196
THR A  79
ILE A  86
ILE A  76
 None
None
None
None
DAL  A 302 (-4.9A)
 0.99A 3kpdC-4f3sA:
undetectable		 3kpdC-4f3sA:
21.14
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.
4fry PUTATIVE
SIGNAL-TRANSDUCTION
PROTEIN WITH CBS
DOMAINS

(Burkholderia
ambifaria) 		PF00571
(CBS) 		6 ILE A  54
THR A  56
ASP A  59
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 (-3.6A)
AMP  A 202 (-3.8A)
AMP  A 202 (-4.7A)
 0.39A 3kpdC-4fryA:
17.2		 3kpdC-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.
4h3w HYPOTHETICAL PROTEIN

(Parabacteroides
distasonis) 		PF15414
(DUF4621) 		5 VAL A 274
ILE A 275
ILE A 285
VAL A 283
PRO A 282
 None
None
None
MLY  A 310 ( 4.7A)
None
 0.75A 3kpdC-4h3wA:
undetectable		 3kpdC-4h3wA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		5 ILE B 379
ASN B 308
ILE B 309
SER B 388
PRO B 381
 None
 1.08A 3kpdC-4i0wB:
undetectable		 3kpdC-4i0wB:
15.13
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.
4i7u DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
sp. H13-3) 		PF00701
(DHDPS) 		5 VAL A  73
ILE A  74
ILE A   6
VAL A  40
PRO A  41
 None
 0.79A 3kpdC-4i7uA:
undetectable		 3kpdC-4i7uA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 3kpdC-4iysA:
11.1		 3kpdC-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.
4nnp LIPOPROTEIN

(Staphylococcus
aureus) 		PF01297
(ZnuA) 		5 THR A 158
VAL A  84
ILE A  85
ASN A  88
VAL A  36
 None
 1.00A 3kpdC-4nnpA:
undetectable		 3kpdC-4nnpA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.62A 3kpdC-4o9kA:
17.5		 3kpdC-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.
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
 0.96A 3kpdC-4rerG:
10.9		 3kpdC-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.
4rvo PHENYLACETATE-COENZY
ME A LIGASE

(Bacteroides
thetaiotaomicron) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		5 ILE A 361
VAL A 345
ILE A 404
ASN A 339
ILE A 340
 None
None
None
ADP  A 502 ( 2.8A)
None
 1.08A 3kpdC-4rvoA:
undetectable		 3kpdC-4rvoA:
15.70
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.
4xb1 319AA LONG
HYPOTHETICAL
HOMOSERINE
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ILE A 308
ASN A  33
ILE A   5
SER A   6
VAL A  89
 None
 0.88A 3kpdC-4xb1A:
undetectable		 3kpdC-4xb1A:
18.13
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ILE A 223
THR A 222
VAL A  73
ILE A 215
SER A 216
 None
 0.95A 3kpdC-4xhbA:
undetectable		 3kpdC-4xhbA:
11.05
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.
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
 0.66A 3kpdC-5aweA:
12.1		 3kpdC-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
 0.60A 3kpdC-5aweA:
12.1		 3kpdC-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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
NON-CATALYTIC
SUBUNIT TRM6

(Homo sapiens) 		PF04189
(Gcd10p) 		5 ILE B 227
VAL B 205
ILE B 373
ASN B 196
ILE B 197
 None
 1.04A 3kpdC-5ccxB:
undetectable		 3kpdC-5ccxB:
14.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.60A 3kpdC-5g5xA:
17.1		 3kpdC-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.
5gka GENOME POLYPROTEIN

(Aichivirus A) 		PF00073
(Rhv) 		5 ILE C 155
VAL C  75
ILE C  80
ILE C 205
SER C 206
 None
 1.03A 3kpdC-5gkaC:
undetectable		 3kpdC-5gkaC:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzy (R)-2-HALOACID
DEHALOGENASE

(Pseudomonas
putida) 		PF10778
(DehI) 		5 ILE A  21
VAL A 277
ILE A 278
ILE A  52
VAL A  56
 None
None
None
2OP  A 401 (-4.0A)
None
 1.07A 3kpdC-5gzyA:
undetectable		 3kpdC-5gzyA:
15.95
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.
5ig8 ATP GRASP LIGASE

(Microcystis
aeruginosa) 		no annotation 5 ILE A 214
THR A 288
VAL A 294
ILE A 144
PRO A 146
 None
 0.92A 3kpdC-5ig8A:
undetectable		 3kpdC-5ig8A:
17.38
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.
5nvd CBS-CP12

(Microcystis
aeruginosa) 		no annotation 5 ILE A  52
THR A  54
ASP A  57
ILE A 103
PRO A 107
 None
 0.69A 3kpdC-5nvdA:
16.0		 3kpdC-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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 ASP A 430
ILE A 584
ILE A 603
VAL A 605
PRO A 606
 CA  A 702 (-2.3A)
None
None
None
None
 1.07A 3kpdC-5ta1A:
undetectable		 3kpdC-5ta1A:
12.14
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.
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)
 0.52A 3kpdC-5tc3A:
14.5		 3kpdC-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.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		5 ILE A  81
VAL A  78
ILE A  72
VAL A  75
PRO A  76
 None
TPO  A  79 ( 2.9A)
None
None
None
 1.05A 3kpdC-5tj3A:
undetectable		 3kpdC-5tj3A:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 ILE A 543
VAL A 610
ASN A 576
SER A 554
VAL A 579
 None
 1.09A 3kpdC-5u47A:
undetectable		 3kpdC-5u47A:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 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
ASP A 149
THR A 164
VAL A 194
PRO A 195
 None
 0.69A 3kpdC-5x8oA:
15.6		 3kpdC-5x8oA:
undetectable