SIMILAR PATTERNS OF AMINO ACIDS FOR 2QK8_A_MTXA200

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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
ARG A  53
PRO A  56
ARG A  58
 None
 0.85A 2qk8A-1cz3A:
20.2		 2qk8A-1cz3A:
29.55
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
LEU A  55
PRO A  56
ARG A  58
 None
 0.55A 2qk8A-1cz3A:
20.2		 2qk8A-1cz3A:
29.55
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) 		5 ALA A   9
GLU A  30
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
None
None
None
 0.64A 2qk8A-1dr6A:
21.1		 2qk8A-1dr6A:
32.28
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.
1ffw CHEMOTAXIS PROTEIN
CHEA

(Escherichia
coli) 		PF09078
(CheY-binding) 		5 ALA B 210
LEU B 182
ILE B 162
LEU B 199
PRO B 200
 None
 1.22A 2qk8A-1ffwB:
undetectable		 2qk8A-1ffwB:
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.
1g43 SCAFFOLDING PROTEIN

([Clostridium]
cellulolyticum) 		PF00942
(CBM_3) 		5 ALA A  24
LEU A  43
VAL A  97
ILE A 112
LEU A  99
 None
 0.97A 2qk8A-1g43A:
undetectable		 2qk8A-1g43A:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 LEU A  37
LYS A  41
LEU A  63
PRO A  64
ARG A  66
 None
 1.16A 2qk8A-1juvA:
17.6		 2qk8A-1juvA:
30.39
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.
1nw1 CHOLINE KINASE (49.2
KD)

(Caenorhabditis
elegans) 		PF01633
(Choline_kinase) 		5 ALA A 305
LEU A 183
VAL A 180
LYS A 179
ARG A 176
 None
 1.18A 2qk8A-1nw1A:
undetectable		 2qk8A-1nw1A:
16.63
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.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A

(Escherichia
coli) 		no annotation 5 ALA A 126
ILE A 189
LEU A 144
PRO A 141
PHE A 148
 None
 1.08A 2qk8A-1oy1A:
undetectable		 2qk8A-1oy1A:
19.91
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) 		6 ALA A   9
GLU A  30
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 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
 0.73A 2qk8A-1u70A:
20.9		 2qk8A-1u70A:
33.16
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) 		6 ALA A   9
GLU A  30
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
None
None
 0.69A 2qk8A-1u71A:
21.0		 2qk8A-1u71A:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zcz BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Thermotoga
maritima) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 ALA A  45
LEU A   8
VAL A   6
ILE A  17
LEU A 120
 None
 1.06A 2qk8A-1zczA:
undetectable		 2qk8A-1zczA:
15.02
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) 		6 ALA A   7
LEU A  28
LYS A  32
LEU A  54
PRO A  55
ARG A  57
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
 0.57A 2qk8A-1zdrA:
25.4		 2qk8A-1zdrA:
52.73
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) 		6 ALA A   7
LYS A  32
ILE A  50
LEU A  54
PRO A  55
ARG A  57
 None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
 0.60A 2qk8A-1zdrA:
25.4		 2qk8A-1zdrA:
52.73
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ILE A 121
LEU A 128
PRO A 129
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
None
 0.94A 2qk8A-2blbA:
20.2		 2qk8A-2blbA:
25.71
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.
2dxb THIOCYANATE
HYDROLASE SUBUNIT
GAMMA

(Thiobacillus
thioparus) 		PF02979
(NHase_alpha) 		5 ALA C 179
LEU C 170
PRO C 171
ARG C 160
TYR C 151
 None
 1.05A 2qk8A-2dxbC:
undetectable		 2qk8A-2dxbC:
20.40
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
LEU A  91
PRO A  92
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
None
None
None
 0.75A 2qk8A-2h2qA:
18.7		 2qk8A-2h2qA:
16.15
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  84
LEU A  91
PRO A  92
ARG A  94
TYR A 160
 None
 0.92A 2qk8A-2h2qA:
18.7		 2qk8A-2h2qA:
16.15
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.
2id5 LEUCINE RICH REPEAT
NEURONAL 6A

(Homo sapiens) 		PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 284
VAL A 287
ILE A 277
LEU A 301
PHE A 292
 None
 1.15A 2qk8A-2id5A:
undetectable		 2qk8A-2id5A:
14.26
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.
2iy8 PROTEIN PM0188

(Pasteurella
multocida) 		PF11477
(PM0188) 		5 ALA A 122
LEU A  91
ILE A 106
LEU A  32
TYR A 171
 None
 1.02A 2qk8A-2iy8A:
undetectable		 2qk8A-2iy8A:
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.
2lsh SPORE-WALL FUNGAL
HYDROPHOBIN DEWA

(Aspergillus
nidulans) 		PF01185
(Hydrophobin) 		5 ALA A  96
LEU A  81
LYS A  92
ILE A  73
PHE A  18
 None
 1.21A 2qk8A-2lshA:
undetectable		 2qk8A-2lshA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
LEU A  33
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 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
 0.63A 2qk8A-2oipA:
20.7		 2qk8A-2oipA:
16.77
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.
2pjz HYPOTHETICAL PROTEIN
ST1066

(Sulfurisphaera
tokodaii) 		PF00005
(ABC_tran) 		5 ALA A  49
LEU A   4
VAL A   7
ILE A  35
LEU A 204
 None
 1.24A 2qk8A-2pjzA:
undetectable		 2qk8A-2pjzA:
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.
2vwk DNA POLYMERASE

(Thermococcus
gorgonarius) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ALA A 539
ILE A 567
LEU A 571
PRO A 572
PHE A 405
 None
 1.25A 2qk8A-2vwkA:
undetectable		 2qk8A-2vwkA:
13.25
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
PRO A  62
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 3.7A)
None
 0.83A 2qk8A-2w3wA:
23.6		 2qk8A-2w3wA:
33.33
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) 		8 ALA A   7
LEU A  28
ILE A  50
LEU A  54
PRO A  55
ARG A  57
PHE A  92
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 3.9A)
None
 0.60A 2qk8A-2w9sA:
25.3		 2qk8A-2w9sA:
44.24
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) 		6 ALA A   7
LEU A  28
LYS A  32
ARG A  57
PHE A  92
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 3.9A)
None
 0.86A 2qk8A-2w9sA:
25.3		 2qk8A-2w9sA:
44.24
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.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)

(Archaeoglobus
fulgidus) 		PF02492
(cobW) 		5 ALA A  38
GLU A 141
VAL A 145
ILE A 159
PHE A 153
 None
 0.98A 2qk8A-2wsmA:
3.6		 2qk8A-2wsmA:
21.70
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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		5 LEU A 448
VAL A 488
ILE A 408
ARG A 404
PRO A 483
 None
 1.24A 2qk8A-2ywbA:
undetectable		 2qk8A-2ywbA:
16.30
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.
2yww ASPARTATE
CARBAMOYLTRANSFERASE
REGULATORY CHAIN

(Methanocaldococcus
jannaschii) 		PF01948
(PyrI)
PF02748
(PyrI_C) 		5 LEU A 143
VAL A 146
ILE A 126
LEU A 132
PRO A 131
 None
 1.15A 2qk8A-2ywwA:
undetectable		 2qk8A-2ywwA:
22.67
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ALA A 465
LEU A 346
ILE A 484
LEU A 480
PHE A 492
 None
 1.22A 2qk8A-3af5A:
2.7		 2qk8A-3af5A:
11.40
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.
3b9j XANTHINE OXIDASE

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU B 312
VAL B 330
ILE B 407
LEU B 348
PHE B 365
 None
 1.23A 2qk8A-3b9jB:
undetectable		 2qk8A-3b9jB:
17.77
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
PRO A  55
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 ( 2.9A)
 0.66A 2qk8A-3dfrA:
25.0		 2qk8A-3dfrA:
38.32
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 ALA A  16
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.86A 2qk8A-3dg8A:
20.1		 2qk8A-3dg8A:
24.55
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 ALA A 320
LEU A 351
ILE A 407
LEU A 428
PRO A 429
 None
 1.20A 2qk8A-3fjoA:
undetectable		 2qk8A-3fjoA:
12.78
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.
3fxa SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		5 ALA A 155
GLU A 147
VAL A 144
LEU A  24
PRO A  25
 None
 1.15A 2qk8A-3fxaA:
undetectable		 2qk8A-3fxaA:
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.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 190
LEU A 291
ILE A 259
LEU A 247
PRO A 244
 None
 1.23A 2qk8A-3gp0A:
undetectable		 2qk8A-3gp0A:
17.82
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) 		10 ALA X   7
LEU X  28
VAL X  31
LYS X  32
ILE X  50
LEU X  54
PRO X  55
ARG X  57
PHE X  92
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
None
None
N22  X 219 (-4.6A)
None
None
None
N22  X 219 ( 3.7A)
None
 0.67A 2qk8A-3i8aX:
25.2		 2qk8A-3i8aX:
46.34
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) 		5 ALA A   7
LYS A  33
ILE A  51
LEU A  55
PRO A  56
 NDP  A 163 ( 3.9A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
 1.09A 2qk8A-3ia4A:
26.0		 2qk8A-3ia4A:
45.06
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) 		10 ALA A   8
GLU A  28
LEU A  29
LYS A  33
ILE A  51
ARG A  53
LEU A  55
PRO A  56
ARG A  58
TYR A 102
 MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-2.9A)
None
 0.47A 2qk8A-3ia4A:
26.0		 2qk8A-3ia4A:
45.06
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) 		7 ALA A   8
ILE A  51
ARG A  53
LEU A  55
PRO A  56
ARG A  58
PHE A  32
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
 1.48A 2qk8A-3ia4A:
26.0		 2qk8A-3ia4A:
45.06
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.
3iey NEQ261
TRNA-SPLICING
ENDONUCLEASE

(Nanoarchaeum
equitans) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		5 ALA A 128
VAL A 149
ILE B 134
LEU B 132
PHE A 121
 None
 1.22A 2qk8A-3ieyA:
undetectable		 2qk8A-3ieyA:
22.28
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) 		5 ALA A  10
GLU A  30
LEU A  31
ARG A  56
LEU A  58
 MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.0A)
 0.96A 2qk8A-3ix9A:
25.7		 2qk8A-3ix9A:
37.17
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) 		7 ALA A  10
GLU A  30
LEU A  31
LYS A  35
LEU A  58
PRO A  59
ARG A  61
 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 ( 4.7A)
MTX  A 200 (-2.9A)
 0.49A 2qk8A-3ix9A:
25.7		 2qk8A-3ix9A:
37.17
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.
3js8 CHOLESTEROL OXIDASE

(Chromobacterium
sp. DS-1) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		5 ALA A  49
LEU A  82
VAL A  80
ILE A  12
PHE A   8
 None
 1.10A 2qk8A-3js8A:
undetectable		 2qk8A-3js8A:
15.26
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
None
None
None
None
 0.80A 2qk8A-3kjrA:
20.1		 2qk8A-3kjrA:
13.87
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.
3o6n APL1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ALA A 345
LEU A 371
VAL A 353
LEU A 377
PRO A 400
 None
 1.19A 2qk8A-3o6nA:
undetectable		 2qk8A-3o6nA:
14.72
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.
3qfs NADPH--CYTOCHROME
P450 REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 ALA A 343
LEU A 374
ILE A 430
LEU A 451
PRO A 452
 None
 1.17A 2qk8A-3qfsA:
undetectable		 2qk8A-3qfsA:
14.85
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) 		5 ALA A   7
ILE A  51
LEU A  55
PRO A  56
ARG A  58
 NDP  A1001 ( 4.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
MTX  A2001 (-2.8A)
 0.89A 2qk8A-3tq9A:
25.4		 2qk8A-3tq9A:
38.76
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) 		7 ALA A   8
LEU A  29
LYS A  33
ILE A  51
LEU A  55
PRO A  56
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
MTX  A2001 (-2.8A)
 0.64A 2qk8A-3tq9A:
25.4		 2qk8A-3tq9A:
38.76
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.
3vbo GENOME POLYPROTEIN,
CAPSID PROTEIN VP2

(Enterovirus A) 		PF00073
(Rhv) 		5 LEU B 135
ILE B 177
LEU B 283
PHE B 151
TYR B 171
 None
 1.21A 2qk8A-3vboB:
undetectable		 2qk8A-3vboB:
16.88
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
LYS A  33
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
 0.92A 2qk8A-3vcoA:
17.9		 2qk8A-3vcoA:
29.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		5 ALA A 429
VAL A 115
LYS A 116
ILE A 103
PHE A 422
 None
 0.95A 2qk8A-3vohA:
undetectable		 2qk8A-3vohA:
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 VAL A 106
ILE A  44
LEU A  23
PRO A  24
PHE A  48
 None
 0.92A 2qk8A-3vupA:
undetectable		 2qk8A-3vupA:
16.31
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		5 ALA A 804
ILE A 733
LEU A 735
PRO A 736
PHE A 766
 None
 1.23A 2qk8A-4c90A:
undetectable		 2qk8A-4c90A:
11.68
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
GLU X  32
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
None
None
None
 0.72A 2qk8A-4g8zX:
20.4		 2qk8A-4g8zX:
29.15
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 GLU X  32
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
None
None
 0.88A 2qk8A-4g8zX:
20.4		 2qk8A-4g8zX:
29.15
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.
4h3w HYPOTHETICAL PROTEIN

(Parabacteroides
distasonis) 		PF15414
(DUF4621) 		5 LEU A 221
VAL A 219
ILE A 185
LEU A 182
PRO A 166
 None
None
MLY  A 181 ( 4.4A)
MLY  A 181 ( 4.7A)
None
 1.12A 2qk8A-4h3wA:
undetectable		 2qk8A-4h3wA:
19.33
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) 		6 ALA A  11
GLU A  32
LEU A  69
PRO A  70
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
None
None
None
None
 0.74A 2qk8A-4h96A:
18.1		 2qk8A-4h96A:
34.74
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) 		6 ALA A  11
GLU A  32
LYS A  37
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
None
None
None
None
 0.98A 2qk8A-4h96A:
18.1		 2qk8A-4h96A:
34.74
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) 		6 GLU A  32
ILE A  62
LEU A  69
PRO A  70
ARG A  72
TYR A 118
 14Q  A 202 (-2.8A)
14Q  A 202 ( 4.8A)
None
None
None
None
 0.83A 2qk8A-4h96A:
18.1		 2qk8A-4h96A:
34.74
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) 		6 GLU A  32
LYS A  37
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-2.8A)
None
14Q  A 202 ( 4.8A)
None
None
None
 1.11A 2qk8A-4h96A:
18.1		 2qk8A-4h96A:
34.74
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ALA A  11
GLU A  32
ILE A  62
LEU A  69
PRO A  70
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
None
None
None
None
 0.67A 2qk8A-4h98A:
18.9		 2qk8A-4h98A:
29.82
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.
4hd1 SQUALENE SYNTHASE
HPNC

(Alicyclobacillus
acidocaldarius) 		PF00494
(SQS_PSY) 		5 ALA A  46
ILE A  93
LEU A  98
PHE A 103
TYR A  69
 None
 1.15A 2qk8A-4hd1A:
undetectable		 2qk8A-4hd1A:
18.48
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.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		5 VAL A 226
LYS A 224
ILE A 190
LEU A  71
PHE A 188
 None
 1.22A 2qk8A-4hqfA:
undetectable		 2qk8A-4hqfA:
21.59
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.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 ALA A  45
LEU A 305
VAL A 302
ILE A   9
LEU A 235
 None
 1.08A 2qk8A-4jz7A:
undetectable		 2qk8A-4jz7A:
17.74
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) 		5 ALA A   7
LEU A  57
PRO A  58
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
None
None
None
None
 0.65A 2qk8A-4m2xA:
21.8		 2qk8A-4m2xA:
35.47
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) 		5 ALA A   7
LEU A  28
LEU A  55
PRO A  56
ARG A  58
 RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 4.6A)
RAR  A 200 ( 3.2A)
 0.51A 2qk8A-4m7vA:
25.0		 2qk8A-4m7vA:
42.11
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 ALA A 602
LEU A 558
ILE A 551
LEU A 590
PRO A 641
 None
 1.21A 2qk8A-4o9xA:
undetectable		 2qk8A-4o9xA:
5.48
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) 		6 ALA A   7
LYS A  32
ILE A  50
PRO A  55
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
None
 0.62A 2qk8A-4p68A:
24.9		 2qk8A-4p68A:
39.75
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.
4pfb C4-DICARBOXYLATE-BIN
DING PROTEIN

(Fusobacterium
nucleatum) 		PF03480
(DctP) 		5 ALA A 263
LEU A  43
VAL A  46
ILE A  85
LEU A  60
 None
 1.12A 2qk8A-4pfbA:
undetectable		 2qk8A-4pfbA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		5 ALA A 187
ILE A 358
LEU A 386
ARG A 394
PHE A 369
 None
 1.08A 2qk8A-4qbuA:
undetectable		 2qk8A-4qbuA:
17.62
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.
4tma DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		5 LEU B 580
VAL B 584
ILE B 707
LEU B 726
TYR B 611
 None
 1.11A 2qk8A-4tmaB:
undetectable		 2qk8A-4tmaB:
17.60
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.
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
 1.22A 2qk8A-4ux5A:
undetectable		 2qk8A-4ux5A:
19.39
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.
4w8x CRISPR SYSTEM CMR
SUBUNIT CMR1-1

(Pyrococcus
furiosus) 		PF03787
(RAMPs) 		5 VAL A 234
ILE A 323
ARG A 326
LEU A 327
PHE A 225
 None
 1.22A 2qk8A-4w8xA:
undetectable		 2qk8A-4w8xA:
17.06
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.
4zbz URACIL-DNA
GLYCOSYLASE

(Sulfurisphaera
tokodaii) 		PF03167
(UDG) 		5 VAL A 119
ILE A  67
ARG A  75
LEU A  63
PHE A 182
 None
 1.24A 2qk8A-4zbzA:
undetectable		 2qk8A-4zbzA:
19.70
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.
5ax0 RHODOPSIN I

(Acetabularia
acetabulum) 		PF01036
(Bac_rhodopsin) 		5 ALA A 173
VAL A 232
ARG A  37
LEU A  41
PRO A  38
 None
 1.22A 2qk8A-5ax0A:
undetectable		 2qk8A-5ax0A:
20.40
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) 		5 ALA A   6
ILE A  67
LEU A  71
PRO A  72
ARG A  74
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.89A 2qk8A-5dxvA:
15.1		 2qk8A-5dxvA:
33.91
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) 		6 ALA A   7
ILE A  67
LEU A  71
PRO A  72
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
 0.65A 2qk8A-5dxvA:
15.1		 2qk8A-5dxvA:
33.91
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) 		6 LEU A  45
ILE A  67
LEU A  71
PRO A  72
ARG A  74
TYR A 117
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
 0.91A 2qk8A-5dxvA:
15.1		 2qk8A-5dxvA:
33.91
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.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ALA A 307
LEU A  94
VAL A  91
LEU A  43
PRO A  44
 None
 1.12A 2qk8A-5e3iA:
undetectable		 2qk8A-5e3iA:
15.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
LEU A  53
PRO A  54
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 ( 4.7A)
None
None
 0.67A 2qk8A-5ecxA:
22.9		 2qk8A-5ecxA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PRO A  54
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
None
None
None
 0.82A 2qk8A-5ecxA:
22.9		 2qk8A-5ecxA:
31.90
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) 		5 ALA A   8
ILE A  51
LEU A  55
PRO A  56
TYR A 101
 None
 0.82A 2qk8A-5fdaA:
18.0		 2qk8A-5fdaA:
39.75
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.
5hdi CYTOCHROME P450 144

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ALA A 204
ILE A 232
LEU A 190
PRO A 191
PHE A 273
 None
 0.98A 2qk8A-5hdiA:
undetectable		 2qk8A-5hdiA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy4 RING-OPENING
AMIDOHYDROLASE

(Frankia sp.
Eul1b) 		PF09663
(Amido_AtzD_TrzD) 		5 ALA A  69
LEU A  51
VAL A  94
ARG A  81
LEU A  88
 None
 1.02A 2qk8A-5hy4A:
undetectable		 2qk8A-5hy4A:
16.43
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.
5kwl VP3

(Enterovirus C) 		PF00073
(Rhv) 		5 ALA 3 216
ILE 3  53
ARG 3  94
LEU 3  85
PHE 3 116
 None
 1.05A 2qk8A-5kwl3:
undetectable		 2qk8A-5kwl3:
18.11
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.
5ney FUCOSE-BINDING
LECTIN II (PA-IIL)

(Pseudomonas
aeruginosa) 		PF07472
(PA-IIL) 		5 LEU A  55
VAL A  32
ILE A 109
LEU A   8
PRO A   9
 None
 1.24A 2qk8A-5neyA:
undetectable		 2qk8A-5neyA:
20.73
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.
5nnl INACTIVE
DIHYDROOROTASE-LIKE
DOMAIN

(Chaetomium
thermophilum) 		no annotation 5 ALA A1767
VAL A1778
ILE A1522
LEU A1524
PRO A1525
 None
 1.23A 2qk8A-5nnlA:
undetectable		 2qk8A-5nnlA:
19.73
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.
5nnl INACTIVE
DIHYDROOROTASE-LIKE
DOMAIN

(Chaetomium
thermophilum) 		no annotation 5 ALA A1767
VAL A1778
LYS A1779
ILE A1802
LEU A1524
 None
 1.21A 2qk8A-5nnlA:
undetectable		 2qk8A-5nnlA:
19.73
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 LEU A 744
ILE A 705
LEU A 738
PRO A 739
PHE A 732
 None
 1.01A 2qk8A-5svcA:
undetectable		 2qk8A-5svcA:
11.59
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.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		5 ALA A 213
LEU A 159
LEU A 304
PRO A 305
TYR A 238
 None
 1.23A 2qk8A-5u7wA:
undetectable		 2qk8A-5u7wA:
18.91
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.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 5 ALA A  37
LEU A  89
ILE A  33
LEU A  14
PHE A  44
 None
 1.13A 2qk8A-5wypA:
undetectable		 2qk8A-5wypA:
19.88
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 ALA A 269
GLU A 251
VAL A 143
ILE A 245
LEU A  16
 None
 1.05A 2qk8A-6bvgA:
undetectable		 2qk8A-6bvgA:
19.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
LEU A  29
LEU A  58
PRO A  59
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
None
 0.97A 2qk8A-6cxmA:
20.8		 2qk8A-6cxmA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
LYS A  33
LEU A  58
PRO A  59
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
None
 0.64A 2qk8A-6cxmA:
20.8		 2qk8A-6cxmA:
30.65
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.
6e4e -

(-) 		no annotation 8 ALA A   7
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PRO A  55
ARG A  57
PHE A  92
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
None
None
MMV  A 202 ( 3.5A)
 0.53A 2qk8A-6e4eA:
25.4		 2qk8A-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.
6f5u ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 5 ALA A  82
GLU A 178
LEU A 122
PRO A 123
TYR A 232
 None
None
None
GOL  A 606 ( 4.2A)
None
 1.20A 2qk8A-6f5uA:
undetectable		 2qk8A-6f5uA:
18.83
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.
6f6s ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 5 ALA A  82
GLU A 178
LEU A 122
PRO A 123
TYR A 232
 GOL  A 506 ( 4.7A)
GOL  A 506 (-4.0A)
None
DMS  A 512 ( 4.5A)
None
 1.20A 2qk8A-6f6sA:
undetectable		 2qk8A-6f6sA:
18.83
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.
6fjy PROTEIN CSUE

(Acinetobacter
baumannii) 		no annotation 5 GLU D  66
VAL D 116
ILE D 175
LEU D 110
PRO D 111
 None
 1.20A 2qk8A-6fjyD:
undetectable		 2qk8A-6fjyD:
16.15
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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		4 MET A  88
LEU A 262
ASN A 287
THR A  95
 None
 1.45A 2qk8A-1vefA:
1.4		 2qk8A-1vefA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 MET A 108
LEU A 124
ASN A 129
THR A  67
 None
 1.44A 2qk8A-2wdwA:
0.0		 2qk8A-2wdwA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 MET A 480
LEU A 513
ASN A 421
THR A 478
 None
CU  A 601 ( 4.6A)
None
None
 1.49A 2qk8A-3dkhA:
0.0		 2qk8A-3dkhA:
13.42
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.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		4 MET A  48
LEU A 233
ASN A  88
THR A 240
 None
 1.50A 2qk8A-3wv4A:
0.3		 2qk8A-3wv4A:
16.17
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.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		4 MET A  48
LEU A 233
ASN A  88
THR A 240
 None
 1.48A 2qk8A-3wvnA:
0.0		 2qk8A-3wvnA:
14.47
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		4 MET A 182
LEU A 341
ASN A 343
THR A 410
 None
 1.35A 2qk8A-4ainA:
undetectable		 2qk8A-4ainA:
13.65
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.
5lx0 DIPEPTIDASE

(Aspergillus
fumigatus) 		PF01244
(Peptidase_M19) 		4 MET A  29
LEU A 101
ASN A  36
THR A  53
 None
 1.49A 2qk8A-5lx0A:
0.0		 2qk8A-5lx0A:
16.50