SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZZA_B_FOLB164

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
LEU A  55
ARG A  58
THR A 121
 None
 0.41A 2zzaB-1cz3A:
19.9		 2zzaB-1cz3A:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
GLU A  30
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.70A 2zzaB-1dr6A:
21.3		 2zzaB-1dr6A:
33.16
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.
1eex PROPANEDIOL
DEHYDRATASE

(Klebsiella
oxytoca) 		PF02287
(Dehydratase_SU) 		5 ILE G  81
ALA G 109
ILE G  92
LEU G  45
THR G 112
 None
 1.33A 2zzaB-1eexG:
undetectable		 2zzaB-1eexG:
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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 MET A 154
LEU A  71
ILE A  91
LEU A  95
ARG A 131
 None
 1.28A 2zzaB-1iy9A:
undetectable		 2zzaB-1iy9A:
19.64
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.
1iz1 LYSR-TYPE REGULATORY
PROTEIN

(Cupriavidus
necator) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 ALA A  60
LEU A  43
ILE A  71
LEU A   6
THR A  58
 None
 1.27A 2zzaB-1iz1A:
undetectable		 2zzaB-1iz1A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		5 ALA A 213
LEU A 299
ILE A 318
LEU A 320
THR A 211
 None
 1.30A 2zzaB-1j71A:
undetectable		 2zzaB-1j71A:
17.51
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.
1jqg CARBOXYPEPTIDASE A

(Helicoverpa
armigera) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 ILE A  52
LEU A  99
LYS A  85
ILE A 297
THR A  54
 None
 1.15A 2zzaB-1jqgA:
undetectable		 2zzaB-1jqgA:
18.32
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.
1smk MALATE
DEHYDROGENASE,
GLYOXYSOMAL

(Citrullus
lanatus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A  88
ALA A  95
ILE A 117
LEU A  60
THR A  93
 None
 1.23A 2zzaB-1smkA:
undetectable		 2zzaB-1smkA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
GLU A  30
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.58A 2zzaB-1u70A:
20.7		 2zzaB-1u70A:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
GLU A  30
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
None
None
MXA  A 187 (-4.3A)
 0.61A 2zzaB-1u71A:
21.1		 2zzaB-1u71A:
31.18
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.
1v0b CELL DIVISION
CONTROL PROTEIN 2
HOMOLOG

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		5 ALA A 278
MET A 264
ILE A 190
LEU A 131
TYR A 283
 None
 1.25A 2zzaB-1v0bA:
undetectable		 2zzaB-1v0bA:
20.70
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 ILE A  84
ALA A  80
LEU A  67
ILE A 441
LEU A 137
 None
 1.16A 2zzaB-1vkoA:
undetectable		 2zzaB-1vkoA:
16.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.83A 2zzaB-1zdrA:
24.9		 2zzaB-1zdrA:
46.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.68A 2zzaB-1zdrA:
24.9		 2zzaB-1zdrA:
46.39
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.
1zy4 SERINE/THREONINE-PRO
TEIN KINASE GCN2

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 ILE A 800
ILE A 913
LEU A 932
ARG A 928
THR A 795
 None
 1.29A 2zzaB-1zy4A:
undetectable		 2zzaB-1zy4A:
20.34
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.76A 2zzaB-2blbA:
20.3		 2zzaB-2blbA:
23.89
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.
2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT

(Gracilaria
chilensis;
Gracilaria
chilensis) 		PF00502
(Phycobilisome)
PF00502
(Phycobilisome) 		5 ILE A   9
ALA A  12
GLU A  23
LEU A  24
ILE B  44
 None
None
None
PEB  B1175 ( 4.6A)
None
 1.34A 2zzaB-2bv8A:
undetectable		 2zzaB-2bv8A:
20.90
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.
2drh 361AA LONG
HYPOTHETICAL
D-AMINOPEPTIDASE

(Pyrococcus
horikoshii) 		PF03576
(Peptidase_S58) 		5 ILE A 280
ALA A  71
LEU A 132
ILE A  55
LEU A  98
 None
 1.29A 2zzaB-2drhA:
undetectable		 2zzaB-2drhA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 140
ALA A 302
LEU A 274
LEU A 286
THR A 305
 None
 1.23A 2zzaB-2f00A:
3.2		 2zzaB-2f00A:
16.18
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 ALA A 629
MET A 816
GLU A 784
ILE A 827
THR A 728
 None
 1.15A 2zzaB-2gahA:
undetectable		 2zzaB-2gahA:
11.90
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ILE A  84
LEU A  91
ARG A  94
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 0.72A 2zzaB-2h2qA:
19.6		 2zzaB-2h2qA:
17.24
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.
2ij9 URIDYLATE KINASE

(Archaeoglobus
fulgidus) 		PF00696
(AA_kinase) 		5 ILE A 187
ALA A 120
ILE A 218
LEU A 163
THR A 119
 None
 1.13A 2zzaB-2ij9A:
undetectable		 2zzaB-2ij9A:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  33
ILE A  62
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.59A 2zzaB-2oipA:
21.4		 2zzaB-2oipA:
15.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		9 ALA A   8
GLU A  28
LEU A  29
LYS A  33
ILE A  51
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.79A 2zzaB-2qk8A:
26.2		 2zzaB-2qk8A:
44.44
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		5 ILE A 395
ALA A 494
LEU A 381
ILE A 364
THR A 495
 None
 1.19A 2zzaB-2qp2A:
undetectable		 2zzaB-2qp2A:
15.40
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 168
ALA A  85
MET A  80
ILE A  76
LEU A  65
 None
 1.31A 2zzaB-2v7bA:
undetectable		 2zzaB-2v7bA:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  32
LEU A  61
ARG A  64
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.72A 2zzaB-2w3wA:
24.8		 2zzaB-2w3wA:
34.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.67A 2zzaB-2w9sA:
26.1		 2zzaB-2w9sA:
40.61
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.
2z4t BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE

(Photobacterium
sp. JT-ISH-224) 		PF11477
(PM0188) 		5 ALA A 145
LEU A 194
ILE A 184
LEU A 216
TYR A 120
 None
 1.33A 2zzaB-2z4tA:
undetectable		 2zzaB-2z4tA:
15.35
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.
3cue TRANSPORT PROTEIN
PARTICLE 31 KDA
SUBUNIT
TRANSPORT PROTEIN
PARTICLE 22 KDA
SUBUNIT

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF04051
(TRAPP)
PF04051
(TRAPP) 		5 GLU B 230
LEU B 218
ILE D  25
LEU B  59
THR B 264
 None
 1.34A 2zzaB-3cueB:
undetectable		 2zzaB-3cueB:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  27
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.42A 2zzaB-3dfrA:
24.1		 2zzaB-3dfrA:
37.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.69A 2zzaB-3dg8A:
20.4		 2zzaB-3dg8A:
25.28
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.
3eqx FIC DOMAIN
CONTAINING
TRANSCRIPTIONAL
REGULATOR

(Shewanella
oneidensis) 		PF02661
(Fic)
PF13784
(Fic_N) 		5 ILE A 296
ALA A 322
LYS A 332
ILE A 305
LEU A 340
 None
 1.29A 2zzaB-3eqxA:
undetectable		 2zzaB-3eqxA:
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		5 ALA A 299
LEU A 351
ILE A 316
LEU A 344
THR A 298
 None
 1.24A 2zzaB-3f0hA:
undetectable		 2zzaB-3f0hA:
18.18
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.
3f6f CG18548-PA
(IP02196P)
(IP02193P)

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 ILE A 158
ALA A 162
LEU A  16
ILE A  69
LEU A  73
 None
 1.27A 2zzaB-3f6fA:
undetectable		 2zzaB-3f6fA:
20.38
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.
3fuy PUTATIVE INTEGRON
GENE CASSETTE
PROTEIN

(uncultured
bacterium) 		no annotation 5 ILE A  73
LEU A  45
LYS A  49
ARG A  52
TYR A 154
 None
 1.07A 2zzaB-3fuyA:
undetectable		 2zzaB-3fuyA:
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.
3hi8 PROLIFERATING CELL
NUCLEAR ANTIGEN PCNA

(Haloferax
volcanii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ALA A  14
LEU A  34
ILE A  66
LEU A  90
THR A  10
 None
 1.30A 2zzaB-3hi8A:
undetectable		 2zzaB-3hi8A:
26.29
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.
3hve GIGAXONIN

(Homo sapiens) 		PF00651
(BTB)
PF07707
(BACK) 		5 ILE A  55
ALA A  51
LEU A  87
ILE A  78
LEU A  36
 None
 1.34A 2zzaB-3hveA:
undetectable		 2zzaB-3hveA:
22.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  28
ILE X  50
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.66A 2zzaB-3i8aX:
26.0		 2zzaB-3i8aX:
40.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LYS X  32
ILE X  50
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
None
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.88A 2zzaB-3i8aX:
26.0		 2zzaB-3i8aX:
40.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		11 ILE A   6
ALA A   8
MET A  21
GLU A  28
LEU A  29
LYS A  33
ILE A  51
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
MTX  A 164 (-4.3A)
 0.56A 2zzaB-3ia4A:
31.2		 2zzaB-3ia4A:
99.38
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.
3iv7 ALCOHOL
DEHYDROGENASE IV

(Corynebacterium
glutamicum) 		PF00465
(Fe-ADH) 		5 ILE A 106
ALA A  81
ILE A  73
LEU A 132
THR A  84
 None
 1.32A 2zzaB-3iv7A:
undetectable		 2zzaB-3iv7A:
19.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		8 ILE A   8
ALA A  10
GLU A  30
LEU A  31
LYS A  35
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.67A 2zzaB-3ix9A:
25.1		 2zzaB-3ix9A:
36.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j4r A-KINASE ANCHOR
PROTEIN 18

(Homo sapiens) 		PF10469
(AKAP7_NLS)
PF10470
(AKAP7_RIRII_bdg) 		5 GLU A 260
LEU A 171
ILE A 200
LEU A 164
THR A  99
 None
 1.32A 2zzaB-3j4rA:
undetectable		 2zzaB-3j4rA:
17.46
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.
3jr1 PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Histophilus
somni) 		PF03881
(Fructosamin_kin) 		5 ALA A 213
LEU A  66
ILE A 111
TYR A 261
THR A 129
 None
 1.31A 2zzaB-3jr1A:
undetectable		 2zzaB-3jr1A:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k31 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Anaplasma
phagocytophilum) 		PF13561
(adh_short_C2) 		5 ILE A  14
ALA A  39
MET A  77
LEU A  88
ILE A 129
 None
 1.09A 2zzaB-3k31A:
undetectable		 2zzaB-3k31A:
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.
3kal HOMOGLUTATHIONE
SYNTHETASE

(Glycine max) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 ILE A 233
ALA A 231
LYS A 221
ILE A 147
LEU A 458
 None
 1.26A 2zzaB-3kalA:
undetectable		 2zzaB-3kalA:
16.10
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ILE A  73
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.72A 2zzaB-3kjrA:
20.9		 2zzaB-3kjrA:
15.59
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 198
LEU A 222
ILE A 347
LEU A 206
THR A 196
 None
 1.30A 2zzaB-3l8kA:
undetectable		 2zzaB-3l8kA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		5 ILE A 493
ALA A 318
LEU A 488
ILE A 335
THR A 495
 None
 1.34A 2zzaB-3nbuA:
undetectable		 2zzaB-3nbuA:
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.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		5 ILE A 287
ALA A 129
ILE A 119
LEU A 152
THR A 265
 None
 1.13A 2zzaB-3nyiA:
undetectable		 2zzaB-3nyiA:
19.13
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.
3pw3 AMINOPEPTIDASE C

(Parabacteroides
distasonis) 		PF03051
(Peptidase_C1_2) 		5 ALA A 259
LEU A 394
LEU A 247
TYR A 357
THR A 262
 None
 1.33A 2zzaB-3pw3A:
undetectable		 2zzaB-3pw3A:
16.58
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
LEU A  97
ARG A 100
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
None
None
None
WRA  A 602 (-4.2A)
 0.41A 2zzaB-3rg9A:
19.6		 2zzaB-3rg9A:
28.81
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.
3s90 VINCULIN
TALIN-1

(Homo sapiens;
Mus musculus) 		PF01044
(Vinculin)
no annotation 		5 ILE A  37
ALA A  92
LEU C1539
ILE A 109
LEU A  23
 None
 1.23A 2zzaB-3s90A:
undetectable		 2zzaB-3s90A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t0p DNA POLYMERASE III,
BETA SUBUNIT

([Eubacterium]
rectale) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ILE A 282
LEU A 328
ILE A 258
LEU A 338
THR A 271
 None
 1.05A 2zzaB-3t0pA:
undetectable		 2zzaB-3t0pA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
LEU A  29
LYS A  33
ILE A  51
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.45A 2zzaB-3tq9A:
26.2		 2zzaB-3tq9A:
42.54
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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 669
GLU A 552
ILE A 744
LEU A 654
THR A 549
 None
 1.24A 2zzaB-3ui7A:
undetectable		 2zzaB-3ui7A:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  14
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
None
1CY  A 609 (-4.3A)
 0.36A 2zzaB-3um6A:
20.2		 2zzaB-3um6A:
13.40
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
LYS A  33
ILE A  57
LEU A  64
ARG A  67
TYR A 117
THR A 133
 None
 1.05A 2zzaB-3vcoA:
18.4		 2zzaB-3vcoA:
27.32
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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 ILE A 381
ALA A 409
LEU A 417
ILE A 402
LEU A 443
 None
 1.31A 2zzaB-3vi1A:
undetectable		 2zzaB-3vi1A:
16.59
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N) 		5 ALA A 241
GLU A 207
LEU A 281
ILE A 291
LEU A 323
 None
 1.29A 2zzaB-4b8bA:
undetectable		 2zzaB-4b8bA:
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ALA A  97
GLU A 129
LEU A  55
ILE A  34
LEU A 115
 None
 1.27A 2zzaB-4bqiA:
undetectable		 2zzaB-4bqiA:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d2i HERA

(Sulfolobus
solfataricus) 		PF01935
(DUF87)
PF05872
(DUF853)
PF09378
(HAS-barrel) 		5 ILE A 448
ALA A 456
LEU A 135
ILE A 146
LEU A 144
 None
 1.34A 2zzaB-4d2iA:
undetectable		 2zzaB-4d2iA:
14.20
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.
4ed9 CAIB/BAIF FAMILY
PROTEIN

(Brucella suis) 		PF02515
(CoA_transf_3) 		5 ILE A 268
ALA A 272
LEU A 290
ILE A 251
LEU A 242
 None
 1.33A 2zzaB-4ed9A:
undetectable		 2zzaB-4ed9A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f21 CARBOXYLESTERASE/PHO
SPHOLIPASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF02230
(Abhydrolase_2) 		5 ALA A  12
GLU A   7
LEU A   5
ILE A  17
LEU A  96
 None
 1.26A 2zzaB-4f21A:
undetectable		 2zzaB-4f21A:
22.03
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.
4f3m BH0337 PROTEIN

(Bacillus
halodurans) 		PF09704
(Cas_Cas5d) 		5 ILE A  55
ALA A  37
LEU A   9
ILE A  45
THR A  34
 None
 1.32A 2zzaB-4f3mA:
undetectable		 2zzaB-4f3mA:
20.92
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
ALA X  12
GLU X  32
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.64A 2zzaB-4g8zX:
20.4		 2zzaB-4g8zX:
29.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		10 ILE A   9
ALA A  11
MET A  25
GLU A  32
LYS A  37
ILE A  62
LEU A  69
ARG A  72
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-2.8A)
None
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.6A)
 1.01A 2zzaB-4h96A:
18.1		 2zzaB-4h96A:
35.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
GLU A  32
ILE A  62
LEU A  69
ARG A  72
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
None
None
None
14Q  A 302 (-4.2A)
 0.50A 2zzaB-4h98A:
19.5		 2zzaB-4h98A:
33.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  57
ARG A  60
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
None
None
None
TMQ  A 202 (-4.2A)
 0.30A 2zzaB-4m2xA:
23.4		 2zzaB-4m2xA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  28
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.53A 2zzaB-4m7vA:
24.9		 2zzaB-4m7vA:
38.86
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 ILE A 171
LEU A 270
ILE A 183
LEU A 189
THR A 388
 None
 1.27A 2zzaB-4n03A:
undetectable		 2zzaB-4n03A:
15.92
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.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
 None
 1.16A 2zzaB-4na3A:
undetectable		 2zzaB-4na3A:
14.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
MET A  20
LYS A  32
ILE A  50
ARG A  57
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.67A 2zzaB-4p68A:
27.8		 2zzaB-4p68A:
55.21
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		5 ALA A 897
ILE A 801
LEU A 829
TYR A 879
THR A 895
 None
 1.34A 2zzaB-4p7hA:
undetectable		 2zzaB-4p7hA:
10.21
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 ILE A 208
ALA A 243
LEU A 236
ILE A 203
LEU A 285
 None
 1.32A 2zzaB-4rcdA:
undetectable		 2zzaB-4rcdA:
17.34
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.
4rhe 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Colwellia
psychrerythraea) 		PF02441
(Flavoprotein) 		5 ALA A  12
MET A 100
LEU A 138
ILE A 130
THR A  14
 None
None
None
None
FMN  A 301 (-4.1A)
 1.34A 2zzaB-4rheA:
undetectable		 2zzaB-4rheA:
18.18
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLU A 279
LEU A 275
ILE A 309
LEU A 267
TYR A 463
 None
 1.07A 2zzaB-4ud8A:
undetectable		 2zzaB-4ud8A:
16.94
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ILE A  58
ALA A  95
MET A 146
LEU A  76
ILE A 156
 None
 1.27A 2zzaB-4uozA:
undetectable		 2zzaB-4uozA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ux5 TRANSCRIPTION FACTOR
MBP1

(Magnaporthe
oryzae) 		PF04383
(KilA-N) 		5 ALA A  64
LEU A  69
ILE A  54
LEU A 101
ARG A 104
 None
 1.25A 2zzaB-4ux5A:
undetectable		 2zzaB-4ux5A:
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A2678
ALA A2502
LEU A2568
ILE A2756
LEU A2685
 None
 1.08A 2zzaB-4z37A:
undetectable		 2zzaB-4z37A:
14.11
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 ILE A 181
ALA A 276
MET A 238
ILE A  13
LEU A  39
 None
 1.14A 2zzaB-4z7yA:
undetectable		 2zzaB-4z7yA:
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.
4zxs VIRION EGRESS
PROTEIN UL34
VIRION EGRESS
PROTEIN UL31

(Human
alphaherpesvirus
1;
Human
alphaherpesvirus
1) 		PF04541
(Herpes_U34)
PF02718
(Herpes_UL31) 		5 ILE A 119
ALA A 165
LEU B 116
ILE B 231
LEU B  98
 None
None
None
NA  B 402 (-3.8A)
None
 1.32A 2zzaB-4zxsA:
undetectable		 2zzaB-4zxsA:
17.99
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.
5aga DNA POLYMERASE THETA

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 715
ALA A 684
LEU A 694
ILE A 664
TYR A 652
 None
 1.26A 2zzaB-5agaA:
undetectable		 2zzaB-5agaA:
11.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.54A 2zzaB-5dxvA:
16.1		 2zzaB-5dxvA:
41.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.91A 2zzaB-5dxvA:
16.1		 2zzaB-5dxvA:
41.76
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.
5ek8 LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		5 ALA A 206
GLU A  11
LEU A 404
TYR A 228
THR A 209
 None
 1.18A 2zzaB-5ek8A:
undetectable		 2zzaB-5ek8A:
13.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A 365
ALA A 189
LEU A 255
ILE A 443
LEU A 372
 None
 1.13A 2zzaB-5erbA:
undetectable		 2zzaB-5erbA:
14.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.70A 2zzaB-5fdaA:
18.9		 2zzaB-5fdaA:
56.44
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.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A 200
ALA A 147
ILE A 111
LEU A 207
THR A 148
 None
 1.34A 2zzaB-5husA:
2.4		 2zzaB-5husA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ILE A 304
ALA A 351
LEU A 615
ILE A 312
LEU A 625
 None
 1.03A 2zzaB-5k3hA:
undetectable		 2zzaB-5k3hA:
14.35
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.
5nof ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ILE A 171
ALA A  56
LEU A  21
ILE A  33
LEU A  37
 None
 1.23A 2zzaB-5nofA:
undetectable		 2zzaB-5nofA:
19.44
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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 5 ILE A 294
ALA A 273
LEU A 284
ILE A 335
LEU A 340
 None
 1.13A 2zzaB-5ny0A:
undetectable		 2zzaB-5ny0A:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
None
None
73X  A 704 (-4.2A)
 0.31A 2zzaB-5t0lA:
20.6		 2zzaB-5t0lA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 ILE A 624
MET A 635
LEU A 559
LEU A 604
ARG A 607
 None
486  A 801 ( 4.7A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 1.20A 2zzaB-5uc1A:
undetectable		 2zzaB-5uc1A:
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.
5x9r CITRATE-SODIUM
SYMPORTER

(Klebsiella
pneumoniae) 		PF03390
(2HCT) 		5 ILE A  98
GLU A 103
LEU A  38
ILE A  64
THR A 100
 None
 1.26A 2zzaB-5x9rA:
undetectable		 2zzaB-5x9rA:
17.72
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.68A 2zzaB-6cxmA:
21.8		 2zzaB-6cxmA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ILE A   6
LEU A  29
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.97A 2zzaB-6cxmA:
21.8		 2zzaB-6cxmA:
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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.51A 2zzaB-6e4eA:
25.9		 2zzaB-6e4eA:
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 5 ILE A 170
LEU A 167
ILE A 234
LEU A 203
THR A 255
 None
None
None
EDO  A 805 (-4.5A)
None
 1.20A 2zzaB-6f91A:
undetectable		 2zzaB-6f91A:
undetectable