SIMILAR PATTERNS OF AMINO ACIDS FOR 3A51_E_VDYE6178

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.
1ad1 DIHYDROPTEROATE
SYNTHETASE


(Staphylococcus
aureus)
PF00809
(Pterin_bind)
5 ASN A 177
ILE A 170
ALA A 199
VAL A 235
LEU A 186
None
1.13A 3a51E-1ad1A:
0.0
3a51E-1ad1A:
19.76
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.
1gff BACTERIOPHAGE G4
CAPSID PROTEINS GPF,
GPG, GPJ


(Escherichia
virus G4)
PF02305
(Phage_F)
5 THR 1 406
MET 1 404
ILE 1  49
ASN 1 409
ILE 1  66
None
1.07A 3a51E-1gff1:
undetectable
3a51E-1gff1:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1io0 TROPOMODULIN

(Gallus gallus)
no annotation 5 THR A 234
ILE A 264
ASN A 201
VAL A 273
LEU A 285
None
1.03A 3a51E-1io0A:
undetectable
3a51E-1io0A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE


(Xanthomonas
citri)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
5 MET A  54
ILE A  52
ASN A 186
VAL A 115
LEU A  77
None
None
GOL  A3011 (-4.1A)
None
None
1.04A 3a51E-1mpxA:
0.0
3a51E-1mpxA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrz PTS SYSTEM,
SORBOSE-SPECIFIC IIB
COMPONENT


(Klebsiella
pneumoniae)
PF03830
(PTSIIB_sorb)
5 MET A 108
ILE A   9
ILE A 154
VAL A 139
LEU A 134
None
1.18A 3a51E-1nrzA:
undetectable
3a51E-1nrzA:
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.
1nvp TRANSCRIPTION
INITIATION FACTOR
IIA BETA CHAIN
TRANSCRIPTION
INITIATION FACTOR
IIA GAMMA CHAIN


(Homo sapiens)
PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C)
PF03153
(TFIIA)
5 ASN C 359
ILE D  44
ALA D  43
VAL D  36
LEU D  15
None
1.20A 3a51E-1nvpC:
undetectable
3a51E-1nvpC:
10.70
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.
1wl7 ARABINANASE-TS

(Geobacillus
thermodenitrificans)
PF04616
(Glyco_hydro_43)
5 ILE A 282
ASN A 263
ALA A 273
VAL A  39
LEU A 298
None
1.21A 3a51E-1wl7A:
0.0
3a51E-1wl7A:
21.72
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.
1xke RAN-BINDING PROTEIN
2


(Homo sapiens)
PF00638
(Ran_BP1)
5 THR A  65
ASN A  43
ALA A  60
VAL A  15
LEU A  35
None
1.24A 3a51E-1xkeA:
undetectable
3a51E-1xkeA:
15.62
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.
1y3n ALGQ1

(Sphingomonas
sp. A1)
PF01547
(SBP_bac_1)
5 MET A  17
ILE A  15
ALA A  32
VAL A  41
LEU A 332
None
1.07A 3a51E-1y3nA:
undetectable
3a51E-1y3nA:
20.47
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE


(Streptococcus
pyogenes)
PF00478
(IMPDH)
PF00571
(CBS)
5 ILE A  48
ASN A 282
ILE A 346
PRO A  47
LEU A 356
None
IMP  A 500 ( 4.5A)
None
None
None
1.17A 3a51E-1zfjA:
undetectable
3a51E-1zfjA:
22.29
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2


(Homo sapiens)
PF00069
(Pkinase)
5 ILE A 120
ILE A 252
ALA A 248
THR A 244
VAL A 291
None
None
None
NA  A3178 (-3.0A)
NA  A3178 ( 4.4A)
1.15A 3a51E-2a2aA:
undetectable
3a51E-2a2aA:
21.73
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.
2bb0 IMIDAZOLONEPROPIONAS
E


(Bacillus
subtilis)
PF01979
(Amidohydro_1)
5 ILE A 338
ILE A 353
ALA A 356
PRO A 295
LEU A 346
None
1.21A 3a51E-2bb0A:
undetectable
3a51E-2bb0A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cun PHOSPHOGLYCERATE
KINASE


(Pyrococcus
horikoshii)
PF00162
(PGK)
5 THR A  69
ILE A  87
THR A  13
VAL A 140
LEU A 137
None
1.01A 3a51E-2cunA:
undetectable
3a51E-2cunA:
21.91
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.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE


(Escherichia
coli)
PF01019
(G_glu_transpept)
5 THR A 475
ALA A  52
THR A  59
VAL A  63
LEU A  66
None
1.17A 3a51E-2e0wA:
undetectable
3a51E-2e0wA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE


(Escherichia
coli)
PF01019
(G_glu_transpept)
5 THR B 475
ALA A  52
THR A  59
VAL A  63
LEU A  66
None
1.12A 3a51E-2e0xB:
undetectable
3a51E-2e0xB:
19.36
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.
2g4o 3-ISOPROPYLMALATE
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF00180
(Iso_dh)
5 ASN A 262
ILE A   6
ALA A   7
THR A  16
VAL A  20
None
1.22A 3a51E-2g4oA:
undetectable
3a51E-2g4oA:
22.97
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.
2goj FE-SUPEROXIDE
DISMUTASE


(Plasmodium
falciparum)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
5 ILE A  96
MET A 195
ILE A 153
VAL A 182
PRO A  88
None
1.17A 3a51E-2gojA:
undetectable
3a51E-2gojA:
15.53
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae)
PF00480
(ROK)
5 ILE A 264
ALA A 247
VAL A 252
PRO A 262
LEU A 217
None
1.18A 3a51E-2gupA:
undetectable
3a51E-2gupA:
21.21
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
cruzi)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
5 THR A  80
ILE A  35
ASN A  96
ALA A 161
LEU A  25
NAP  A 523 (-3.5A)
NAP  A 523 (-3.8A)
None
None
None
1.11A 3a51E-2h2qA:
undetectable
3a51E-2h2qA:
24.09
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.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 ILE A  45
ASN A 131
ILE A 261
ALA A 260
THR A 265
None
1.08A 3a51E-2hlpA:
undetectable
3a51E-2hlpA:
23.86
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.
2hrz NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE


(Agrobacterium
fabrum)
PF01370
(Epimerase)
5 THR A 133
ILE A  13
ALA A  12
VAL A  39
LEU A  28
None
1.10A 3a51E-2hrzA:
undetectable
3a51E-2hrzA:
23.95
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.
2iy4 NON-HEME
IRON-CONTAINING
FERRITIN


(Listeria
monocytogenes)
PF00210
(Ferritin)
5 MET A  46
ILE A  27
LYS A  93
MET A  95
VAL A  84
None
1.04A 3a51E-2iy4A:
2.4
3a51E-2iy4A:
17.70
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.
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM


(Homo sapiens)
PF02985
(HEAT)
PF13646
(HEAT_2)
5 ASN A  22
ILE A  38
ALA A  39
THR A  47
LEU A  55
None
1.04A 3a51E-2pkgA:
undetectable
3a51E-2pkgA:
21.09
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.
2pnn TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 1


(Rattus
norvegicus)
PF12796
(Ank_2)
5 THR A 156
ILE A 173
ILE A 207
ALA A 208
LEU A 165
THR  A 156 ( 0.8A)
ILE  A 173 ( 0.6A)
ILE  A 207 ( 0.7A)
ALA  A 208 ( 0.0A)
LEU  A 165 ( 0.6A)
1.18A 3a51E-2pnnA:
undetectable
3a51E-2pnnA:
21.41
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE


(Trypanosoma
cruzi)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 THR A 137
ILE A   8
ALA A 143
VAL A 296
LEU A 283
None
FAD  A 480 (-4.7A)
None
None
None
1.15A 3a51E-2qaeA:
undetectable
3a51E-2qaeA:
23.05
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.
2qhs LIPOYLTRANSFERASE

(Thermus
thermophilus)
PF03099
(BPL_LplA_LipB)
5 THR A  80
ASN A 156
ALA A 143
VAL A  99
LEU A 103
OCA  A3913 ( 3.8A)
None
None
None
None
1.22A 3a51E-2qhsA:
undetectable
3a51E-2qhsA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qhu LIPOYLTRANSFERASE

(Thermus
thermophilus)
PF03099
(BPL_LplA_LipB)
5 THR A  80
ASN A 156
ALA A 143
VAL A  99
LEU A 103
OYA  A1001 ( 4.0A)
None
None
None
None
1.22A 3a51E-2qhuA:
undetectable
3a51E-2qhuA:
21.25
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.
2vli ANTIBIOTIC
RESISTANCE PROTEIN


(Deinococcus
radiodurans)
no annotation 5 ILE A  81
ILE A 165
ALA A 162
PRO A  79
LEU A 171
None
1.22A 3a51E-2vliA:
undetectable
3a51E-2vliA:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xkr PUTATIVE CYTOCHROME
P450 142


(Mycobacterium
tuberculosis)
PF00067
(p450)
5 MET A  74
ILE A  76
ILE A 229
THR A 234
VAL A 277
PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
0.67A 3a51E-2xkrA:
45.2
3a51E-2xkrA:
35.97
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT


(Methanosarcina
mazei)
PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7)
5 THR A  60
ILE A  51
THR A  38
VAL A  22
LEU A  18
None
1.23A 3a51E-2xr1A:
undetectable
3a51E-2xr1A:
22.01
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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2


(Mus musculus)
PF00069
(Pkinase)
5 ILE A 120
ILE A 252
ALA A 248
THR A 244
VAL A 291
None
1.17A 3a51E-2yabA:
undetectable
3a51E-2yabA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn3 PUTATIVE INNER
MEMBRANE PROTEIN


(Salmonella
enterica)
PF12245
(Big_3_2)
5 ILE A5255
ILE A5180
ALA A5345
PRO A5186
LEU A5167
None
CA  A6363 (-4.8A)
None
None
None
1.22A 3a51E-2yn3A:
undetectable
3a51E-2yn3A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE


(Shewanella sp.)
PF00149
(Metallophos)
5 THR A  53
ILE A 187
ASN A 101
ILE A  59
LEU A 145
None
1.21A 3a51E-2zbmA:
undetectable
3a51E-2zbmA:
22.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus)
PF00067
(p450)
5 ILE A  96
ASN A 194
ILE A 243
ALA A 244
THR A 248
HEM  A 413 (-4.0A)
None
VDX  A 501 (-4.2A)
HEM  A 413 (-3.5A)
HEM  A 413 (-3.2A)
1.07A 3a51E-2zbzA:
47.7
3a51E-2zbzA:
37.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aeh HEMOGLOBIN-BINDING
PROTEASE HBP
AUTOTRANSPORTER


(Escherichia
coli)
PF03797
(Autotransporter)
5 THR A1166
ILE A1096
THR A1311
VAL A1276
LEU A1255
None
0.95A 3a51E-3aehA:
undetectable
3a51E-3aehA:
22.25
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.
3cm1 SSGA-LIKE
SPORULATION-SPECIFIC
CELL DIVISION
PROTEIN


(Thermobifida
fusca)
PF04686
(SsgA)
5 ILE A  89
ILE A  40
ALA A  42
VAL A  12
LEU A 107
None
1.18A 3a51E-3cm1A:
undetectable
3a51E-3cm1A:
18.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ejb BIOTIN BIOSYNTHESIS
CYTOCHROME P450-LIKE
ENZYME


(Bacillus
subtilis)
PF00067
(p450)
5 MET B  79
ASN B 181
ILE B 233
ALA B 234
THR B 238
None
None
None
HEM  B 405 (-3.5A)
HEM  B 405 (-3.7A)
0.67A 3a51E-3ejbB:
47.4
3a51E-3ejbB:
36.82
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC


(Caulobacter
vibrioides)
PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated)
5 ILE A 193
ASN A 219
MET A 248
ALA A 196
VAL A 149
None
1.01A 3a51E-3epmA:
undetectable
3a51E-3epmA:
21.90
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.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11


(Homo sapiens)
PF00069
(Pkinase)
5 ILE A  96
ALA A  93
THR A  91
VAL A 345
LEU A 346
None
1.03A 3a51E-3gp0A:
undetectable
3a51E-3gp0A:
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.
3gvh MALATE DEHYDROGENASE

(Brucella
abortus)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 ILE A 240
ASN A 121
ILE A 117
VAL A  30
LEU A   8
None
NAD  A 400 (-3.6A)
None
None
None
1.23A 3a51E-3gvhA:
undetectable
3a51E-3gvhA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5o TRANSCRIPTIONAL
REGULATOR GNTR


(Chromobacterium
violaceum)
PF13377
(Peripla_BP_3)
5 THR A 133
MET A 155
ILE A 305
ASN A 107
ILE A  92
None
None
None
SO4  A   1 (-3.2A)
None
1.17A 3a51E-3h5oA:
undetectable
3a51E-3h5oA:
25.06
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.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1


(Mycobacterium
tuberculosis)
PF00464
(SHMT)
5 MET A  29
ILE A 364
ALA A 383
VAL A 302
LEU A 390
None
1.17A 3a51E-3h7fA:
undetectable
3a51E-3h7fA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpd HYDROXYETHYLTHIAZOLE
KINASE


(Pyrococcus
horikoshii)
PF02110
(HK)
5 ILE A 124
ALA A 155
THR A 160
VAL A 114
LEU A 110
None
1.17A 3a51E-3hpdA:
undetectable
3a51E-3hpdA:
23.86
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.
3ijl MUCONATE
CYCLOISOMERASE


(Bacteroides
thetaiotaomicron)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A  78
ILE A 143
ALA A 140
VAL A 127
LEU A 124
None
0.98A 3a51E-3ijlA:
undetectable
3a51E-3ijlA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j4j TRANSLATION
INITIATION FACTOR
IF-2


(Thermus
thermophilus)
PF00009
(GTP_EFTU)
PF04760
(IF2_N)
PF11987
(IF-2)
5 ILE A 182
ILE A 213
ALA A 178
VAL A 192
PRO A 189
None
1.09A 3a51E-3j4jA:
undetectable
3a51E-3j4jA:
24.10
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.
3k8p DSL1

(Kluyveromyces
lactis)
PF11989
(Dsl1_C)
5 THR C 633
ILE C 600
THR C 541
VAL C 522
LEU C 526
None
1.05A 3a51E-3k8pC:
undetectable
3a51E-3k8pC:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh5 PROTEIN MJ1225

(Methanocaldococcus
jannaschii)
PF00571
(CBS)
5 ILE A 269
ALA A 236
VAL A 233
PRO A 183
LEU A 190
ADP  A 284 ( 4.3A)
None
AMP  A 282 (-3.8A)
None
None
0.93A 3a51E-3kh5A:
undetectable
3a51E-3kh5A:
19.16
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.
3kpb UNCHARACTERIZED
PROTEIN MJ0100


(Methanocaldococcus
jannaschii)
PF00571
(CBS)
5 ILE A 495
ALA A 462
VAL A 459
PRO A 423
LEU A 431
None
None
SAM  A1000 ( 3.9A)
None
None
0.99A 3a51E-3kpbA:
undetectable
3a51E-3kpbA:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o44 HEMOLYSIN

(Vibrio cholerae)
PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec)
5 ILE A 209
ILE A 402
ALA A 260
THR A 399
VAL A 448
None
1.08A 3a51E-3o44A:
undetectable
3a51E-3o44A:
21.37
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.
3ot5 UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE


(Listeria
monocytogenes)
PF02350
(Epimerase_2)
5 THR A  36
ILE A   9
ILE A  86
ALA A 109
LEU A 117
None
1.09A 3a51E-3ot5A:
undetectable
3a51E-3ot5A:
24.22
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.
3pen TRANSLATION
INITIATION FACTOR 2
SUBUNIT GAMMA


(Sulfolobus
solfataricus)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C)
5 ASN A  55
ILE A  12
ALA A 114
VAL A 147
LEU A 194
None
1.21A 3a51E-3penA:
undetectable
3a51E-3penA:
21.92
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.
3zh2 L-LACTATE
DEHYDROGENASE


(Plasmodium
falciparum)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 ILE A 244
ASN A 127
ILE A 123
VAL A  31
LEU A   9
None
1.18A 3a51E-3zh2A:
undetectable
3a51E-3zh2A:
21.74
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1


(Saccharomyces
cerevisiae)
PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn)
5 ILE A  56
ASN A 174
ALA A 138
VAL A 101
LEU A 119
None
1.05A 3a51E-4a9aA:
2.7
3a51E-4a9aA:
21.06
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2


(Homo sapiens)
PF00753
(Lactamase_B)
5 ILE A  93
ILE A  73
THR A  33
VAL A  18
LEU A  35
None
1.21A 3a51E-4ad9A:
undetectable
3a51E-4ad9A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli)
PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
5 ILE A 232
ASN A 383
ILE A 399
ALA A 400
PRO A 312
None
1.22A 3a51E-4arcA:
undetectable
3a51E-4arcA:
19.41
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.
4b43 TRANSLATION
INITIATION FACTOR
IF-2


(Thermus
thermophilus)
PF00009
(GTP_EFTU)
PF04760
(IF2_N)
5 ILE A 182
ILE A 213
ALA A 178
VAL A 192
PRO A 189
None
1.21A 3a51E-4b43A:
undetectable
3a51E-4b43A:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1


(Saccharomyces
cerevisiae)
PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N)
5 ILE A 455
ILE A 490
ALA A 487
VAL A 471
LEU A 462
None
AU  A1749 (-4.6A)
None
None
None
1.11A 3a51E-4b8bA:
undetectable
3a51E-4b8bA:
21.94
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.
4d7a TRNA
THREONYLCARBAMOYLADE
NOSINE DEHYDRATASE


(Escherichia
coli)
PF00899
(ThiF)
5 ILE A 129
ALA A 128
THR A 152
VAL A 150
LEU A 149
AMP  A 401 (-4.1A)
None
None
None
GOL  A 502 (-4.7A)
1.14A 3a51E-4d7aA:
undetectable
3a51E-4d7aA:
21.87
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.
4gxz SUPPRESSION OF
COPPER SENSITIVITY
PROTEIN


(Salmonella
enterica)
PF01323
(DSBA)
5 ILE A 119
ALA A  89
THR A  92
VAL A 131
LEU A 133
None
1.21A 3a51E-4gxzA:
undetectable
3a51E-4gxzA:
18.92
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron)
PF00657
(Lipase_GDSL)
5 ILE A 177
ASN A  51
ILE A 101
ALA A 135
VAL A 220
None
UNL  A 301 ( 3.5A)
None
None
None
1.21A 3a51E-4h08A:
undetectable
3a51E-4h08A:
17.52
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.
4ii3 UBIQUITIN-60S
RIBOSOMAL PROTEIN
L40


(Schizosaccharomyces
pombe)
PF00240
(ubiquitin)
5 THR B   9
ILE B  13
ILE B  36
VAL B  26
LEU B  43
None
1.14A 3a51E-4ii3B:
undetectable
3a51E-4ii3B:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iuy SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE


(Acinetobacter
baumannii)
PF00106
(adh_short)
5 THR A  14
ILE A 142
ALA A 186
VAL A 246
LEU A 224
None
1.21A 3a51E-4iuyA:
undetectable
3a51E-4iuyA:
20.09
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2


(Mus musculus)
PF00008
(EGF)
PF03098
(An_peroxidase)
5 ASN A  39
ILE A 499
THR A 483
VAL A 510
PRO A 506
None
1.04A 3a51E-4ph9A:
2.1
3a51E-4ph9A:
21.39
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.
4plh MALATE DEHYDROGENASE

(Apicomplexa)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 ILE A 241
ASN A 122
ILE A 118
VAL A  31
LEU A   9
None
OXM  A 401 ( 3.3A)
None
None
None
1.19A 3a51E-4plhA:
undetectable
3a51E-4plhA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qhi UNCHARACTERIZED
PROTEIN MJ1213


(Methanocaldococcus
jannaschii)
PF01435
(Peptidase_M48)
5 THR A  14
ILE A  29
ILE A  66
ALA A  39
LEU A  55
None
1.11A 3a51E-4qhiA:
undetectable
3a51E-4qhiA:
12.90
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.
4rwt LEIOMODIN-2

(Homo sapiens)
no annotation 5 ILE C 248
ASN C 185
ILE C 228
ALA C 229
LEU C 269
None
1.06A 3a51E-4rwtC:
undetectable
3a51E-4rwtC:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rwt LEIOMODIN-2

(Homo sapiens)
no annotation 5 ILE C 253
ASN C 217
ILE C 228
ALA C 229
LEU C 269
None
1.13A 3a51E-4rwtC:
undetectable
3a51E-4rwtC:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rwt LEIOMODIN-2

(Homo sapiens)
no annotation 5 THR C 218
ILE C 248
ASN C 185
ILE C 228
LEU C 269
None
0.86A 3a51E-4rwtC:
undetectable
3a51E-4rwtC:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus)
PF13088
(BNR_2)
5 THR A 681
ILE A 270
ALA A 292
PRO A 340
LEU A 353
None
1.09A 3a51E-4x6kA:
undetectable
3a51E-4x6kA:
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.
4xkj D-LACTATE
DEHYDROGENASE


(Sporolactobacillus
inulinus)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
5 THR A  38
ILE A   4
ASN A  58
ILE A  50
VAL A 315
None
0.89A 3a51E-4xkjA:
undetectable
3a51E-4xkjA:
21.90
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN


(Chaetomium
thermophilum)
PF03810
(IBN_N)
PF13513
(HEAT_EZ)
5 ILE A 368
ILE A 373
VAL A 406
PRO A 402
LEU A 407
None
1.10A 3a51E-4xriA:
undetectable
3a51E-4xriA:
19.57
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.
4z79 LEIOMODIN-1
ACTIN-BINDING SITE 2
(ABS2)


(Homo sapiens)
no annotation 5 ILE A 399
ASN A 336
ILE A 379
ALA A 380
LEU A 420
None
GOL  A 505 (-4.2A)
None
GOL  A 502 (-3.6A)
None
1.06A 3a51E-4z79A:
undetectable
3a51E-4z79A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z79 LEIOMODIN-1
ACTIN-BINDING SITE 2
(ABS2)


(Homo sapiens)
no annotation 5 THR A 369
ILE A 399
ASN A 336
ILE A 379
LEU A 420
None
None
GOL  A 505 (-4.2A)
None
None
0.88A 3a51E-4z79A:
undetectable
3a51E-4z79A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z8g TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(TP1 ABS2)


(Homo sapiens)
no annotation 5 ILE A 399
ASN A 201
ILE A 379
ALA A 380
LEU A 420
None
NI  A 509 (-4.0A)
None
None
None
0.96A 3a51E-4z8gA:
undetectable
3a51E-4z8gA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z8g TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(TP1 ABS2)


(Homo sapiens)
no annotation 5 THR A 369
ILE A 399
ASN A 201
ILE A 379
LEU A 420
None
None
NI  A 509 (-4.0A)
None
None
0.80A 3a51E-4z8gA:
undetectable
3a51E-4z8gA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA


(Homo sapiens)
PF00626
(Gelsolin)
5 ILE G1399
ASN G1201
ILE G1379
ALA G1380
LEU G1420
None
1.08A 3a51E-4z94G:
undetectable
3a51E-4z94G:
21.11
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.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA


(Homo sapiens)
PF00626
(Gelsolin)
5 THR G1369
ILE G1399
ASN G1201
ILE G1379
LEU G1420
None
0.90A 3a51E-4z94G:
undetectable
3a51E-4z94G:
21.11
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.
5b16 RIBONUCLEASE
3,DROSHA,RIBONUCLEAS
E
3,DROSHA,RIBONUCLEAS
E 3


(Homo sapiens)
PF00035
(dsrm)
PF00636
(Ribonuclease_3)
PF14622
(Ribonucleas_3_3)
6 THR A 416
ILE A 702
LYS A 694
THR A 590
VAL A 856
PRO A 683
None
1.18A 3a51E-5b16A:
undetectable
3a51E-5b16A:
15.53
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.
5b83 TETRA UBIQUITIN

(Homo sapiens)
PF00240
(ubiquitin)
5 THR A  85
ILE A  89
ILE A 112
VAL A 102
LEU A 119
None
1.16A 3a51E-5b83A:
undetectable
3a51E-5b83A:
19.09
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.
5cl2 SPORULATION-CONTROL
PROTEIN SPO0M


(Bacillus
subtilis)
PF07070
(Spo0M)
5 ILE A  74
ILE A 132
ALA A 113
VAL A 110
PRO A 104
None
1.14A 3a51E-5cl2A:
undetectable
3a51E-5cl2A:
21.72
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.
5cxu FERULIC ACID
ESTERASE AMCE1/FAE1A


(Anaeromyces
mucronatus)
PF00756
(Esterase)
5 MET A 134
ILE A 133
ILE A 165
PRO A  99
LEU A  62
None
1.23A 3a51E-5cxuA:
undetectable
3a51E-5cxuA:
19.76
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE


(Desulfovibrio
alaskensis)
PF01228
(Gly_radical)
PF02901
(PFL-like)
5 ILE A 338
ILE A 317
VAL A 422
PRO A 430
LEU A 371
None
1.24A 3a51E-5favA:
undetectable
3a51E-5favA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fku DNA POLYMERASE III
SUBUNIT ALPHA


(Escherichia
coli)
PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6)
5 ILE A 835
ILE A 816
ALA A 887
VAL A 878
LEU A 874
None
1.22A 3a51E-5fkuA:
3.1
3a51E-5fkuA:
16.48
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.
5g5f TAU CLASS
GLUTATHIONE
S-TRANSFERASE


(Mangifera
indica)
PF00043
(GST_C)
PF02798
(GST_N)
5 LYS A  27
ILE A 161
ALA A 162
PRO A  87
LEU A  86
None
None
None
PEG  A1226 (-3.4A)
None
1.17A 3a51E-5g5fA:
undetectable
3a51E-5g5fA:
20.53
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.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis)
PF13354
(Beta-lactamase2)
5 THR A 109
MET A 117
ALA A 140
VAL A 148
LEU A  76
None
1.12A 3a51E-5gl9A:
undetectable
3a51E-5gl9A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gnm VITAMIN D(3)
25-HYDROXYLASE


(Pseudonocardia
autotrophica)
PF00067
(p450)
7 THR A  84
MET A  86
ILE A  88
ILE A 235
THR A 240
VAL A 283
PRO A 287
None
None
HEM  A 501 ( 4.4A)
None
HEM  A 501 (-3.7A)
HEM  A 501 (-4.7A)
HEM  A 501 (-3.5A)
0.66A 3a51E-5gnmA:
56.4
3a51E-5gnmA:
98.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gnm VITAMIN D(3)
25-HYDROXYLASE


(Pseudonocardia
autotrophica)
PF00067
(p450)
6 THR A  84
MET A  86
ILE A 235
ALA A 236
THR A 240
VAL A 283
None
None
None
HEM  A 501 (-3.6A)
HEM  A 501 (-3.7A)
HEM  A 501 (-4.7A)
0.95A 3a51E-5gnmA:
56.4
3a51E-5gnmA:
98.78
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.
5jow NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43A


(Bacteroides
ovatus)
PF04616
(Glyco_hydro_43)
5 THR A 183
ILE A 217
ALA A 254
VAL A 290
PRO A 298
None
1.23A 3a51E-5jowA:
undetectable
3a51E-5jowA:
22.14
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE


(Porphyromonas
gingivalis)
PF10459
(Peptidase_S46)
5 ILE A 397
ILE A 405
ALA A 408
PRO A 474
LEU A 477
None
1.15A 3a51E-5jwfA:
undetectable
3a51E-5jwfA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kia L-THREONINE
3-DEHYDROGENASE


(Burkholderia
thailandensis)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 THR A 294
ILE A 182
ALA A 179
VAL A 167
LEU A 162
None
1.11A 3a51E-5kiaA:
undetectable
3a51E-5kiaA:
24.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l94 CYTOCHROME P450

(Bacillus
megaterium)
PF00067
(p450)
6 ILE A  85
LYS A 187
ILE A 241
ALA A 242
THR A 246
VAL A 289
HEM  A 501 (-4.4A)
None
TES  A 502 (-4.0A)
HEM  A 501 (-3.5A)
HEM  A 501 (-3.4A)
TES  A 502 (-4.8A)
0.46A 3a51E-5l94A:
49.7
3a51E-5l94A:
34.11
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.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 ILE A 240
ASN A 121
ILE A 117
VAL A  30
LEU A   8
None
1.22A 3a51E-5ulvA:
undetectable
3a51E-5ulvA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1


(Schizosaccharomyces
pombe)
PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB)
5 ILE A 162
ILE A  52
ALA A 366
THR A 857
VAL A 861
None
1.24A 3a51E-5um6A:
2.3
3a51E-5um6A:
17.43
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.
5vip MDCD
MDCE


(Pseudomonas
aeruginosa)
PF01039
(Carboxyl_trans)
PF06833
(MdcE)
5 THR B 118
ILE B 136
ALA B 134
VAL A 119
LEU B 169
None
1.17A 3a51E-5vipB:
undetectable
3a51E-5vipB:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE


(Echinococcus
granulosus)
no annotation 6 THR A 250
ASN A 247
ILE A 115
ALA A 256
VAL A 414
LEU A 402
None
None
FAD  A 601 (-4.7A)
None
None
None
1.42A 3a51E-5w1jA:
undetectable
3a51E-5w1jA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL


(Homo sapiens)
PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4)
5 ILE M 418
ILE M 391
VAL M 475
PRO M 407
LEU M 516
None
1.07A 3a51E-5xtbM:
undetectable
3a51E-5xtbM:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvm STEROL
3-BETA-GLUCOSYLTRANS
FERASE


(Saccharomyces
cerevisiae)
PF00201
(UDPGT)
PF03033
(Glyco_transf_28)
5 THR A 960
ILE A1148
ILE A1155
VAL A 770
LEU A 744
None
1.08A 3a51E-5xvmA:
undetectable
3a51E-5xvmA:
21.18
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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN


(Ruminiclostridium
thermocellum)
no annotation 5 LYS A 468
ASN A 464
ILE A 398
PRO A 497
LEU A 510
None
1.22A 3a51E-5yj6A:
undetectable
3a51E-5yj6A:
11.06
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.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei)
no annotation 5 ILE A 107
ILE A 255
ALA A 256
THR A 260
VAL A 303
HEM  A 501 (-4.2A)
None
HEM  A 501 (-3.4A)
HEM  A 501 (-3.7A)
None
0.93A 3a51E-5ysmA:
39.3
3a51E-5ysmA:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE


(Yersinia
enterocolitica)
no annotation 5 ILE A 285
ALA A 330
VAL A  57
PRO A 258
LEU A  52
None
1.12A 3a51E-6b5fA:
undetectable
3a51E-6b5fA:
22.02