SIMILAR PATTERNS OF AMINO ACIDS FOR 1QZF_E_FOLE621

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) 		8 VAL A   6
ALA A   8
ASP A  27
THR A  47
ILE A  51
LEU A  55
ARG A  58
THR A 121
 None
None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.61A 1qzfE-1cz3A:
9.4		 1qzfE-1cz3A:
16.70
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ALA A   9
LEU A  22
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 (-3.5A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.62A 1qzfE-1dr6A:
22.1		 1qzfE-1dr6A:
17.11
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.
1ifw POLYADENYLATE-BINDIN
G PROTEIN,
CYTOPLASMIC AND
NUCLEAR

(Saccharomyces
cerevisiae) 		PF00658
(PABP) 		5 ALA A  34
SER A  63
THR A  46
ILE A  49
LEU A  60
 None
 1.03A 1qzfE-1ifwA:
undetectable		 1qzfE-1ifwA:
10.38
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.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 LEU A  55
LEU A  20
SER A  16
ARG A 181
THR A  11
 None
 1.09A 1qzfE-1j1uA:
undetectable		 1qzfE-1j1uA:
20.30
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		7 VAL A   5
LEU A  28
ASP A  36
LEU A  37
THR A  55
LEU A  63
ARG A  66
 None
None
None
None
NDP  A 194 (-3.3A)
None
None
 0.91A 1qzfE-1juvA:
9.3		 1qzfE-1juvA:
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.
1pp1 P40 NUCLEOPROTEIN

(Borna disease
virus) 		PF06407
(BDV_P40) 		5 ASP X 250
LEU X 253
THR X 240
ILE X 241
LEU X 302
 None
 1.10A 1qzfE-1pp1X:
undetectable		 1qzfE-1pp1X:
20.59
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.
1suu DNA GYRASE SUBUNIT A

(Borreliella
burgdorferi) 		PF03989
(DNA_gyraseA_C) 		5 VAL A 753
ALA A 756
SER A 671
THR A 652
LEU A 695
 None
 1.13A 1qzfE-1suuA:
undetectable		 1qzfE-1suuA:
19.93
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.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 783
LEU A 647
SER A 645
ILE A 571
LEU A 576
 None
 1.09A 1qzfE-1t46A:
undetectable		 1qzfE-1t46A:
19.53
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ALA A   9
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.54A 1qzfE-1u70A:
21.7		 1qzfE-1u70A:
17.85
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ALA A   9
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
None
MXA  A 187 (-4.3A)
 0.63A 1qzfE-1u71A:
22.0		 1qzfE-1u71A:
18.01
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.
1w7p VPS36P, YLR417W

(Saccharomyces
cerevisiae) 		PF04157
(EAP30) 		5 VAL D 495
LEU D 518
LEU D 532
ILE D 503
LEU D 545
 None
 0.99A 1qzfE-1w7pD:
undetectable		 1qzfE-1w7pD:
22.58
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.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 LEU A  25
THR A   7
ILE A   5
LEU A 253
THR A 234
 None
 1.04A 1qzfE-1z5vA:
undetectable		 1qzfE-1z5vA:
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.61A 1qzfE-1zdrA:
13.1		 1qzfE-1zdrA:
16.89
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.61A 1qzfE-2blbA:
11.8		 1qzfE-2blbA:
16.51
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.
2cxh PROBABLE BRIX-DOMAIN
RIBOSOMAL BIOGENESIS
PROTEIN

(Aeropyrum
pernix) 		no annotation 5 VAL A 178
LEU A 182
ASP A  34
LEU A  35
LEU A 121
 None
 1.07A 1qzfE-2cxhA:
2.9		 1qzfE-2cxhA:
16.92
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A  30
LEU A 400
SER A 402
ILE A  35
THR A  29
 None
 1.08A 1qzfE-2d52A:
undetectable		 1qzfE-2d52A:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 VAL A  26
ALA A  28
ASP A  48
THR A  80
ILE A  84
LEU A  91
ARG A  94
TYR A 160
THR A 178
 None
NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.55A 1qzfE-2h2qA:
17.9		 1qzfE-2h2qA:
42.68
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.
2hf0 BILE SALT HYDROLASE

(Bifidobacterium
longum) 		PF02275
(CBAH) 		5 VAL A  41
ALA A  44
LEU A 127
SER A 129
TYR A  38
 None
 0.88A 1qzfE-2hf0A:
undetectable		 1qzfE-2hf0A:
18.63
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.
2hlj HYPOTHETICAL PROTEIN

(Pseudomonas
putida) 		PF13279
(4HBT_2) 		5 VAL A  77
LEU A  22
SER A  32
ILE A  63
THR A   9
 None
None
GOL  A 157 (-2.8A)
None
None
 0.99A 1qzfE-2hljA:
undetectable		 1qzfE-2hljA:
15.87
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 ALA A 104
LEU A 402
SER A  64
THR A 441
THR A 103
 None
 1.12A 1qzfE-2hruA:
undetectable		 1qzfE-2hruA:
22.27
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.
2i3d HYPOTHETICAL PROTEIN
ATU1826

(Agrobacterium
fabrum) 		PF02129
(Peptidase_S15) 		5 ALA A  28
LEU A  52
ILE A 152
LEU A 199
THR A  60
 None
 1.12A 1qzfE-2i3dA:
undetectable		 1qzfE-2i3dA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kxp F-ACTIN-CAPPING
PROTEIN SUBUNIT BETA
ISOFORMS 1 AND 2

(Gallus gallus) 		PF01115
(F_actin_cap_B) 		5 VAL B 453
LEU B 347
ASP B 344
SER B 341
THR B 472
 None
 1.08A 1qzfE-2kxpB:
undetectable		 1qzfE-2kxpB:
18.93
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.
2no5 (S)-2-HALOACID
DEHALOGENASE IVA

(Burkholderia
cepacia) 		PF13419
(HAD_2) 		5 ALA A 185
LEU A 182
THR A  15
ILE A 195
LEU A 219
 None
None
ASL  A  11 ( 3.6A)
None
None
 1.11A 1qzfE-2no5A:
undetectable		 1qzfE-2no5A:
16.54
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 VAL A  59
ALA A 193
LEU A 195
LEU A 311
LEU A  83
 None
 1.10A 1qzfE-2nsmA:
undetectable		 1qzfE-2nsmA:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		12 VAL A   9
ALA A  11
LEU A  25
ASP A  32
LEU A  33
SER A  37
THR A  58
ILE A  62
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 2.9A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.40A 1qzfE-2oipA:
53.3		 1qzfE-2oipA:
99.81
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A  53
LEU A  16
THR A 306
ILE A 305
LEU A  36
 None
 1.11A 1qzfE-2pgwA:
undetectable		 1qzfE-2pgwA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 ASP A 253
LEU A 254
THR A 262
ILE A 203
LEU A 270
 None
 1.04A 1qzfE-2pmiA:
undetectable		 1qzfE-2pmiA:
20.68
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
LEU A  29
ILE A  51
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.88A 1qzfE-2qk8A:
12.0		 1qzfE-2qk8A:
16.91
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  29
ILE A  51
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.71A 1qzfE-2qk8A:
12.0		 1qzfE-2qk8A:
16.91
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		9 VAL A   9
ALA A  11
ASP A  31
LEU A  32
THR A  50
LEU A  61
ARG A  64
TYR A 108
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.65A 1qzfE-2w3wA:
12.8		 1qzfE-2w3wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		10 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.60A 1qzfE-2w9sA:
12.8		 1qzfE-2w9sA:
17.44
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.
2wqw INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 VAL A 181
LEU A 193
LEU A 169
ILE A 154
LEU A 135
 None
 1.13A 1qzfE-2wqwA:
undetectable		 1qzfE-2wqwA:
20.30
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.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF13714
(PEP_mutase) 		5 VAL A 167
LEU A 196
THR A 160
ILE A 185
LEU A 203
 None
 1.12A 1qzfE-3b8iA:
undetectable		 1qzfE-3b8iA:
19.85
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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  66
THR A 290
ILE A 289
LEU A 111
THR A   6
 None
 1.06A 1qzfE-3dfhA:
undetectable		 1qzfE-3dfhA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		8 ALA A   6
LEU A  19
ASP A  26
LEU A  27
THR A  45
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.52A 1qzfE-3dfrA:
12.1		 1qzfE-3dfrA:
13.90
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ALA A  16
LEU A  46
ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.59A 1qzfE-3dg8A:
22.1		 1qzfE-3dg8A:
19.32
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 180
ALA A 182
LEU A 156
LEU A 235
THR A 118
 None
 1.15A 1qzfE-3e1hA:
undetectable		 1qzfE-3e1hA:
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.
3emj INORGANIC
PYROPHOSPHATASE

(Rickettsia
prowazekii) 		PF00719
(Pyrophosphatase) 		5 VAL A 108
ALA A  89
LEU A 123
ILE A 134
LEU A 130
 None
 1.06A 1qzfE-3emjA:
undetectable		 1qzfE-3emjA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euo TYPE III PENTAKETIDE
SYNTHASE

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 180
ALA A 182
LEU A 156
LEU A 235
THR A 118
 None
 1.12A 1qzfE-3euoA:
undetectable		 1qzfE-3euoA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fds DNA POLYMERASE
SLIDING CLAMP C

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ALA D 133
LEU D 135
LEU D 178
ILE D 144
LEU D 154
 None
 1.11A 1qzfE-3fdsD:
undetectable		 1qzfE-3fdsD:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA X   7
LEU X  20
ASP X  27
LEU X  28
THR X  46
ILE X  50
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.62A 1qzfE-3i8aX:
12.8		 1qzfE-3i8aX:
18.29
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA X   7
LEU X  20
ASP X  27
THR X  46
ILE X  50
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.65A 1qzfE-3i8aX:
12.8		 1qzfE-3i8aX:
18.29
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		8 ALA A   8
LEU A  29
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
MTX  A 164 (-4.3A)
 0.57A 1qzfE-3ia4A:
12.6		 1qzfE-3ia4A:
15.22
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ALA A  10
LEU A  23
LEU A  31
THR A  49
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.58A 1qzfE-3ix9A:
12.4		 1qzfE-3ix9A:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  16
ASP A  37
THR A  69
ILE A  73
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
None
 0.50A 1qzfE-3kjrA:
43.9		 1qzfE-3kjrA:
46.92
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 VAL A 132
ALA A 134
ILE A  82
LEU A 190
THR A 124
 None
 1.10A 1qzfE-3l2zA:
undetectable		 1qzfE-3l2zA:
16.32
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.
3lxq UNCHARACTERIZED
PROTEIN VP1736

(Vibrio
parahaemolyticus) 		PF00884
(Sulfatase) 		5 ALA A 426
LEU A 290
LEU A 481
ILE A 527
TYR A 493
 None
 1.15A 1qzfE-3lxqA:
undetectable		 1qzfE-3lxqA:
20.91
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.
3n3u ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE IBPA

(Histophilus
somni) 		PF02661
(Fic) 		5 ALA A3695
LEU A3502
LEU A3708
ILE A3580
LEU A3775
 None
 1.01A 1qzfE-3n3uA:
undetectable		 1qzfE-3n3uA:
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.
3n6o GUANINE NUCLEOTIDE
EXCHANGE FACTOR

(Legionella
pneumophila) 		PF14860
(DrrA_P4M) 		5 ALA A 492
LEU A 530
SER A 624
ILE A 571
LEU A 604
 None
 1.03A 1qzfE-3n6oA:
undetectable		 1qzfE-3n6oA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 310
LEU A 167
ILE A 281
LEU A 256
ARG A 255
 None
 1.14A 1qzfE-3nyqA:
undetectable		 1qzfE-3nyqA:
21.97
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.
3ohw PHYCOBILISOME LCM
CORE-MEMBRANE LINKER
POLYPEPTIDE

(Synechocystis
sp. PCC 6803) 		no annotation 5 VAL B 735
LEU B 781
LEU B 763
SER B 765
ILE B 756
 None
 1.00A 1qzfE-3ohwB:
undetectable		 1qzfE-3ohwB:
15.83
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 VAL A 614
ALA A 253
ASP A 166
TYR A 594
THR A 252
 None
 1.11A 1qzfE-3pvcA:
2.5		 1qzfE-3pvcA:
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		5 LEU A  85
LEU A  62
THR A  53
ILE A  49
LEU A 253
 None
 1.03A 1qzfE-3r89A:
undetectable		 1qzfE-3r89A:
21.24
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
LEU A  90
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
None
WRA  A 602 (-4.2A)
 1.11A 1qzfE-3rg9A:
11.2		 1qzfE-3rg9A:
18.90
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		8 VAL A  32
ALA A  34
ASP A  54
THR A  86
LEU A  97
ARG A 100
TYR A 166
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
NDP  A 601 ( 3.2A)
None
None
None
WRA  A 602 (-4.2A)
 0.54A 1qzfE-3rg9A:
11.2		 1qzfE-3rg9A:
18.90
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.
3rzu STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		5 VAL A 411
LEU A 263
LEU A 285
SER A 362
THR A 374
 None
 1.09A 1qzfE-3rzuA:
undetectable		 1qzfE-3rzuA:
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  66
THR A 290
ILE A 289
LEU A 111
THR A   6
 None
 1.03A 1qzfE-3s47A:
undetectable		 1qzfE-3s47A:
23.62
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ALA A   8
LEU A  21
ASP A  28
LEU A  29
THR A  47
ILE A  51
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.61A 1qzfE-3tq9A:
12.1		 1qzfE-3tq9A:
19.32
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		5 VAL A 107
ALA A  88
LEU A 122
ILE A 133
LEU A 129
 None
 1.00A 1qzfE-3tr4A:
undetectable		 1qzfE-3tr4A:
17.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 LEU A  46
ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.66A 1qzfE-3um6A:
40.6		 1qzfE-3um6A:
40.26
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 VAL A   6
ALA A   8
ASP A  28
THR A  53
ILE A  57
LEU A  64
ARG A  67
TYR A 117
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.68A 1qzfE-3vcoA:
18.9		 1qzfE-3vcoA:
16.64
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.
3wkm PUTATIVE ZINC
METALLOPROTEASE
AQ_1964

(Aquifex
aeolicus) 		PF00595
(PDZ)
PF13180
(PDZ_2) 		5 VAL A 154
LEU A 179
THR A 175
ILE A 190
LEU A 201
 None
 0.95A 1qzfE-3wkmA:
undetectable		 1qzfE-3wkmA:
14.83
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 VAL A 198
ALA A 200
LEU A 209
LEU A 231
THR A 174
 None
 1.14A 1qzfE-3x43A:
2.5		 1qzfE-3x43A:
18.88
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.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 ASP A1128
LEU A1127
THR A1047
ILE A1050
LEU A1054
 None
 1.13A 1qzfE-4bocA:
undetectable		 1qzfE-4bocA:
17.93
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.
4bwe GLYPICAN-1

(Homo sapiens) 		PF01153
(Glypican) 		5 LEU A 163
LEU A 144
SER A 146
LEU A 115
ARG A 149
 None
None
None
None
NAG  A 501 ( 4.5A)
 1.15A 1qzfE-4bweA:
undetectable		 1qzfE-4bweA:
21.55
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 LEU A 470
LEU A 502
SER A 504
ILE A 485
LEU A 564
 None
 1.11A 1qzfE-4bx9A:
undetectable		 1qzfE-4bx9A:
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		5 VAL A 315
LEU A 327
LEU A 303
ILE A 288
LEU A 269
 None
 1.09A 1qzfE-4fmzA:
undetectable		 1qzfE-4fmzA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ALA X  12
LEU X  25
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.63A 1qzfE-4g8zX:
11.3		 1qzfE-4g8zX:
17.85
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ALA X  12
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.77A 1qzfE-4g8zX:
11.3		 1qzfE-4g8zX:
17.85
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.
4grc PUTATIVE MEMBRANE
PROTEIN

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		5 VAL A  92
LEU A 148
LEU A 415
SER A 413
ILE A 142
 None
 1.05A 1qzfE-4grcA:
undetectable		 1qzfE-4grcA:
20.59
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ALA A  11
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.6A)
 0.62A 1qzfE-4h96A:
20.1		 1qzfE-4h96A:
17.92
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ALA A  11
LEU A  25
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
None
14Q  A 302 (-4.2A)
 0.51A 1qzfE-4h98A:
21.7		 1qzfE-4h98A:
21.17
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.
4hgv FUMARATE HYDRATASE
CLASS II

(Sinorhizobium
meliloti) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 LEU A 418
ASP A 413
LEU A 412
THR A 468
ILE A 470
 None
 1.01A 1qzfE-4hgvA:
undetectable		 1qzfE-4hgvA:
19.93
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  64
THR A 288
ILE A 287
LEU A 109
THR A   4
 None
 0.97A 1qzfE-4hnlA:
undetectable		 1qzfE-4hnlA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
THR A  46
LEU A  57
ARG A  60
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.4A)
None
None
None
TMQ  A 202 (-4.2A)
 0.64A 1qzfE-4m2xA:
12.6		 1qzfE-4m2xA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.71A 1qzfE-4m7vA:
12.1		 1qzfE-4m7vA:
16.87
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
THR A  46
ILE A  50
ARG A  57
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.37A 1qzfE-4p68A:
12.7		 1qzfE-4p68A:
16.60
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.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ALA A 221
THR A   8
ILE A   9
LEU A 236
THR A 218
 None
 1.01A 1qzfE-4twiA:
undetectable		 1qzfE-4twiA:
18.59
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 VAL A 983
ALA A 981
LEU A1152
LEU A1183
THR A1158
 None
 0.96A 1qzfE-4zhjA:
undetectable		 1qzfE-4zhjA:
16.62
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.
5dhm IMMUNOREACTIVE 32
KDA ANTIGEN

(Porphyromonas
gingivalis) 		no annotation 5 VAL C 213
ALA C 289
LEU C 315
THR C 279
ILE C 277
 None
 1.08A 1qzfE-5dhmC:
undetectable		 1qzfE-5dhmC:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.53A 1qzfE-5dxvA:
3.7		 1qzfE-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 1.04A 1qzfE-5dxvA:
3.7		 1qzfE-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ALA A  28
LEU A 195
THR A  44
ILE A  71
LEU A 155
 None
 1.13A 1qzfE-5f7cA:
undetectable		 1qzfE-5f7cA:
20.31
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		7 ALA A   8
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 101
THR A 114
 None
 1.05A 1qzfE-5fdaA:
7.2		 1qzfE-5fdaA:
16.80
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.
5gzy (R)-2-HALOACID
DEHALOGENASE

(Pseudomonas
putida) 		PF10778
(DehI) 		5 ALA A 234
LEU A  93
LEU A 290
ILE A  86
LEU A 135
 None
 1.03A 1qzfE-5gzyA:
undetectable		 1qzfE-5gzyA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hyz GRAS FAMILY
TRANSCRIPTION FACTOR
CONTAINING PROTEIN,
EXPRESSED

(Oryza sativa) 		PF03514
(GRAS) 		5 VAL A 455
LEU A 258
LEU A 224
SER A 213
LEU A 211
 None
 1.14A 1qzfE-5hyzA:
2.2		 1qzfE-5hyzA:
20.64
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.
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis) 		PF00701
(DHDPS) 		5 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
 None
None
KPI  A 164 ( 3.5A)
None
None
 0.90A 1qzfE-5ktlA:
undetectable		 1qzfE-5ktlA:
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.
5m2d ENDOGLUCANASE-LIKE
PROTEIN

(Acremonium
chrysogenum) 		no annotation 5 ALA A 104
LEU A 124
THR A  88
ILE A  86
LEU A 199
 None
 0.87A 1qzfE-5m2dA:
undetectable		 1qzfE-5m2dA:
18.22
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 VAL A1004
LEU A1035
ILE A 900
LEU A 904
TYR A1076
 None
 1.09A 1qzfE-5ng6A:
undetectable		 1qzfE-5ng6A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nhx OUTER MEMBRANE
PROTEIN A

(Klebsiella
pneumoniae) 		no annotation 5 ALA A  48
LEU A  38
LEU A  78
SER A  73
LEU A  15
 None
 1.04A 1qzfE-5nhxA:
undetectable		 1qzfE-5nhxA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 VAL A   8
ALA A  10
LEU A  23
ASP A  31
SER A  36
THR A  83
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
None
NDP  A 702 (-3.2A)
None
None
None
73X  A 704 (-4.2A)
 0.51A 1qzfE-5t0lA:
44.8		 1qzfE-5t0lA:
44.48
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.
5w66 RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN7

(Saccharomyces
cerevisiae) 		no annotation 5 VAL P 257
LEU P 338
ILE P 331
LEU P 318
TYR P 446
 None
 1.13A 1qzfE-5w66P:
undetectable		 1qzfE-5w66P:
22.05
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.
5xmi VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF04212
(MIT) 		5 ALA A 187
LEU A 273
LEU A 145
ILE A 296
LEU A 138
 None
 1.09A 1qzfE-5xmiA:
undetectable		 1qzfE-5xmiA:
23.23
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.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 5 LEU A 182
LEU A 126
SER A 195
ILE A 175
LEU A 166
 None
None
DGL  A 301 (-2.8A)
None
None
 1.13A 1qzfE-5xniA:
undetectable		 1qzfE-5xniA:
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.
5xv7 SERINE-ARGININE (SR)
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 5 LEU A 603
ASP A 596
LEU A 597
ILE A 569
LEU A 520
 None
 1.09A 1qzfE-5xv7A:
undetectable		 1qzfE-5xv7A:
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.
6b0t FASCIN

(Homo sapiens) 		no annotation 5 ALA A 242
LEU A 196
SER A 187
ILE A 144
LEU A 179
 None
 1.14A 1qzfE-6b0tA:
undetectable		 1qzfE-6b0tA:
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 ALA A   8
ASP A  28
LEU A  29
LEU A  58
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.90A 1qzfE-6cxmA:
12.4		 1qzfE-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 7 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.55A 1qzfE-6cxmA:
12.4		 1qzfE-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 9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.65A 1qzfE-6e4eA:
12.9		 1qzfE-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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 ALA A 101
ILE A 148
LEU A 146
ARG A 144
TYR A 232
 None
 1.13A 1qzfE-6eksA:
undetectable		 1qzfE-6eksA:
20.72