SIMILAR PATTERNS OF AMINO ACIDS FOR 1BZF_A_TMQA170

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  22
PHE A  34
THR A  56
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
HBI  A 198 ( 4.5A)
 0.98A 1bzfA-1dr6A:
19.7		 1bzfA-1dr6A:
32.99
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
PHE A  34
THR A  56
LEU A  67
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
HBI  A 198 ( 4.5A)
 0.84A 1bzfA-1dr6A:
19.7		 1bzfA-1dr6A:
32.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fb5 ORNITHINE
TRANSCARBAMOYLASE

(Ovis aries) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 201
ALA A 218
HIS A 255
LEU A 245
THR A 219
 None
 1.03A 1bzfA-1fb5A:
undetectable		 1bzfA-1fb5A:
19.25
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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 373
ALA A 419
LEU A 118
LEU A 411
ALA A 374
 None
 1.11A 1bzfA-1i1qA:
undetectable		 1bzfA-1i1qA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iwl OUTER-MEMBRANE
LIPOPROTEINS CARRIER
PROTEIN

(Escherichia
coli) 		PF03548
(LolA) 		5 ALA A 142
LEU A 124
LEU A  92
PHE A  90
LEU A  59
 None
 0.89A 1bzfA-1iwlA:
undetectable		 1bzfA-1iwlA:
22.44
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		5 ALA A 313
LEU A 122
LEU A 305
LEU A 406
ALA A 272
 None
 1.05A 1bzfA-1js6A:
undetectable		 1bzfA-1js6A:
15.56
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 LEU A  28
ASP A  36
LEU A  37
PHE A  40
THR A  55
 None
None
None
None
NDP  A 194 (-3.3A)
 0.92A 1bzfA-1juvA:
17.1		 1bzfA-1juvA:
26.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n11 ANKYRIN

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 ALA A 544
HIS A 561
LEU A 556
LEU A 523
ALA A 511
 None
 1.08A 1bzfA-1n11A:
undetectable		 1bzfA-1n11A:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oh9 ACETYLGLUTAMATE
KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 LEU A 168
ALA A 174
LEU A  38
LEU A   9
ALA A 165
 None
 0.99A 1bzfA-1oh9A:
undetectable		 1bzfA-1oh9A:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q0z ACLACINOMYCIN
METHYLESTERASE

(Streptomyces
purpurascens) 		PF00561
(Abhydrolase_1) 		5 ALA A 245
LEU A 126
LEU A 278
THR A 123
LEU A  47
 None
None
1PE  A2712 ( 4.5A)
None
None
 1.11A 1bzfA-1q0zA:
undetectable		 1bzfA-1q0zA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t5b ACYL CARRIER PROTEIN
PHOSPHODIESTERASE

(Salmonella
enterica) 		PF02525
(Flavodoxin_2) 		5 LEU A 138
LEU A   5
PHE A 109
LEU A 161
ALA A  94
 None
 1.10A 1bzfA-1t5bA:
undetectable		 1bzfA-1t5bA:
22.55
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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  53
LEU A  34
LEU A  21
ALA A 360
THR A  84
 None
 0.94A 1bzfA-1ulqA:
undetectable		 1bzfA-1ulqA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 5 ALA A 114
HIS A 124
LEU A 123
THR A   4
PHE A   2
 None
 1.05A 1bzfA-1y8aA:
2.2		 1bzfA-1y8aA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yxo 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 1

(Pseudomonas
aeruginosa) 		PF04166
(PdxA) 		5 LEU A1152
ALA A1160
HIS A1188
LEU A1187
ALA A1153
 EOH  A3000 ( 4.9A)
None
None
None
None
 1.04A 1bzfA-1yxoA:
undetectable		 1bzfA-1yxoA:
19.38
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) 		5 ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  54
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
 0.68A 1bzfA-1zdrA:
21.8		 1bzfA-1zdrA:
38.79
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  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
 0.81A 1bzfA-1zdrA:
21.8		 1bzfA-1zdrA:
38.79
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  20
ASP A  27
LEU A  28
THR A  46
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3483 (-3.5A)
None
 0.80A 1bzfA-1zdrA:
21.8		 1bzfA-1zdrA:
38.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Methanothermobacter
thermautotrophicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 ALA C 300
LEU C 355
LEU C 342
PHE C 337
ALA C 371
 None
 1.08A 1bzfA-2d6fC:
undetectable		 1bzfA-2d6fC:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h1t HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF06475
(Glycolipid_bind) 		5 ALA A  62
HIS A  58
LEU A  59
LEU A 176
ALA A  30
 None
 1.06A 1bzfA-2h1tA:
undetectable		 1bzfA-2h1tA:
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.
2h1t HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF06475
(Glycolipid_bind) 		5 HIS A  58
LEU A  59
PHE A 109
LEU A 176
ALA A  30
 None
 1.10A 1bzfA-2h1tA:
undetectable		 1bzfA-2h1tA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ASP A  48
PHE A  52
THR A  80
LEU A  91
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
 0.62A 1bzfA-2h2qA:
17.3		 1bzfA-2h2qA:
18.43
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.
2jxu TERB

(Klebsiella
pneumoniae) 		PF05099
(TerB) 		5 ALA A 134
LEU A 112
LEU A 151
PHE A 149
ALA A 139
 None
 0.89A 1bzfA-2jxuA:
undetectable		 1bzfA-2jxuA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		5 ALA A 115
LEU A  13
LEU A 108
LEU A 323
ALA A 329
 None
 1.06A 1bzfA-2o78A:
undetectable		 1bzfA-2o78A:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogv MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
PRECURSOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 763
LEU A 910
LEU A 845
LEU A 675
ALA A 792
 None
 1.02A 1bzfA-2ogvA:
undetectable		 1bzfA-2ogvA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
ASP A  32
LEU A  33
PHE A  36
THR A  58
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.2A)
 0.99A 1bzfA-2oipA:
18.5		 1bzfA-2oipA:
13.58
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
ASP A  32
PHE A  36
THR A  58
LEU A  67
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 4.2A)
 0.98A 1bzfA-2oipA:
18.5		 1bzfA-2oipA:
13.58
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.
2otd GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Shigella
flexneri) 		PF03009
(GDPD) 		5 LEU A  52
LEU A 136
THR A 125
LEU A 145
ALA A  42
 None
 0.99A 1bzfA-2otdA:
undetectable		 1bzfA-2otdA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 LEU A 477
PHE A 475
PHE A 443
LEU A 576
ALA A 503
 None
 1.11A 1bzfA-2owoA:
undetectable		 1bzfA-2owoA:
13.51
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.
2p4i ANGIOPOIETIN-1
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 949
LEU A1092
LEU A1028
LEU A 914
ALA A 978
 None
 0.92A 1bzfA-2p4iA:
undetectable		 1bzfA-2p4iA:
22.48
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.
2p5s RAS AND EF-HAND
DOMAIN CONTAINING

(Homo sapiens) 		PF00071
(Ras) 		5 ALA A 705
LEU A 592
PHE A 557
LEU A 620
ALA A 700
 None
 0.92A 1bzfA-2p5sA:
undetectable		 1bzfA-2p5sA:
21.53
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.
2vkt CTP SYNTHASE 2

(Homo sapiens) 		PF00117
(GATase) 		5 ALA A 547
LEU A 543
LEU A 321
ALA A 364
THR A 548
 None
 1.09A 1bzfA-2vktA:
undetectable		 1bzfA-2vktA:
21.30
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
ASP A  31
LEU A  32
PHE A  35
THR A  50
LEU A  61
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
 0.77A 1bzfA-2w3wA:
20.3		 1bzfA-2w3wA:
36.16
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
ASP A  31
LEU A  32
THR A  50
LEU A  61
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.7A)
 0.84A 1bzfA-2w3wA:
20.3		 1bzfA-2w3wA:
36.16
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) 		5 ALA A   7
ASP A  27
LEU A  28
THR A  46
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 ( 4.5A)
 0.73A 1bzfA-2w9sA:
20.9		 1bzfA-2w9sA:
36.63
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) 		5 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 ( 4.5A)
 0.88A 1bzfA-2w9sA:
20.9		 1bzfA-2w9sA:
36.63
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.
3ciy TOLL-LIKE RECEPTOR 3

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ALA A 179
ASP A 203
LEU A 202
LEU A 241
ALA A 231
 None
 0.94A 1bzfA-3ciyA:
undetectable		 1bzfA-3ciyA:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ciy TOLL-LIKE RECEPTOR 3

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ALA A 179
ASP A 203
LEU A 202
PHE A 212
ALA A 231
 None
 0.86A 1bzfA-3ciyA:
undetectable		 1bzfA-3ciyA:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cqb PROBABLE PROTEASE
HTPX HOMOLOG

(Vibrio
parahaemolyticus) 		PF01435
(Peptidase_M48) 		5 LEU A  84
LEU A  71
PHE A  54
ALA A  44
THR A  21
 None
None
None
None
CL  A 105 ( 4.1A)
 1.06A 1bzfA-3cqbA:
undetectable		 1bzfA-3cqbA:
23.12
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) 		9 ALA A   6
HIS A  18
ASP A  26
PHE A  30
THR A  45
PHE A  49
LEU A  54
ALA A  97
THR A 116
 MTX  A 164 (-3.8A)
None
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 3.8A)
MTX  A 164 ( 4.3A)
 0.92A 1bzfA-3dfrA:
25.6		 1bzfA-3dfrA:
98.15
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) 		9 LEU A   4
ALA A   6
ASP A  26
LEU A  27
PHE A  30
THR A  45
PHE A  49
ALA A  97
THR A 116
 MTX  A 164 ( 4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 3.8A)
MTX  A 164 ( 4.3A)
 0.82A 1bzfA-3dfrA:
25.6		 1bzfA-3dfrA:
98.15
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) 		9 LEU A   4
ALA A   6
HIS A  18
ASP A  26
PHE A  30
THR A  45
PHE A  49
ALA A  97
THR A 116
 MTX  A 164 ( 4.1A)
MTX  A 164 (-3.8A)
None
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 3.8A)
MTX  A 164 ( 4.3A)
 0.92A 1bzfA-3dfrA:
25.6		 1bzfA-3dfrA:
98.15
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) 		9 LEU A   4
ALA A   6
HIS A  18
LEU A  19
ASP A  26
PHE A  30
PHE A  49
ALA A  97
THR A 116
 MTX  A 164 ( 4.1A)
MTX  A 164 (-3.8A)
None
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 3.8A)
MTX  A 164 ( 4.3A)
 1.00A 1bzfA-3dfrA:
25.6		 1bzfA-3dfrA:
98.15
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) 		9 LEU A   4
ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
PHE A  49
ALA A  97
THR A 116
 MTX  A 164 ( 4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 3.8A)
MTX  A 164 ( 4.3A)
 0.94A 1bzfA-3dfrA:
25.6		 1bzfA-3dfrA:
98.15
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.
3fh2 PROBABLE
ATP-DEPENDENT
PROTEASE (HEAT SHOCK
PROTEIN)

(Corynebacterium
glutamicum) 		PF02861
(Clp_N) 		5 ALA A  45
LEU A  37
LEU A 112
THR A   6
LEU A  92
 None
 1.01A 1bzfA-3fh2A:
undetectable		 1bzfA-3fh2A:
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 LEU A 336
LEU A 159
LEU A 394
THR A 239
ALA A 254
 None
 0.91A 1bzfA-3fnbA:
undetectable		 1bzfA-3fnbA:
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		5 HIS A  48
LEU A 380
LEU A  15
THR A 376
LEU A 367
 None
 1.00A 1bzfA-3griA:
undetectable		 1bzfA-3griA:
17.02
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) 		6 LEU X   5
ALA X   7
ASP X  27
LEU X  28
THR X  46
THR X 111
 N22  X 219 (-4.0A)
N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.4A)
 0.96A 1bzfA-3i8aX:
20.8		 1bzfA-3i8aX:
35.76
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
LEU A  23
LEU A  31
PHE A  34
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.5A)
 0.88A 1bzfA-3ix9A:
22.9		 1bzfA-3ix9A:
32.64
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
LEU A  31
PHE A  34
THR A  49
THR A 119
 MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.5A)
 0.84A 1bzfA-3ix9A:
22.9		 1bzfA-3ix9A:
32.64
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
PHE A  34
THR A  49
LEU A  58
THR A 119
 MTX  A 200 (-3.8A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.95A 1bzfA-3ix9A:
22.9		 1bzfA-3ix9A:
32.64
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.
3kmu INTEGRIN-LINKED
KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 302
LEU A 446
LEU A 382
LEU A 281
ALA A 333
 None
 1.02A 1bzfA-3kmuA:
undetectable		 1bzfA-3kmuA:
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.
3mg3 ORANGE
CAROTENOID-BINDING
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF02136
(NTF2)
PF09150
(Carot_N) 		5 LEU A  68
PHE A 109
THR A  97
LEU A  86
ALA A  67
 None
 1.04A 1bzfA-3mg3A:
undetectable		 1bzfA-3mg3A:
18.55
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.
3mil ISOAMYL
ACETATE-HYDROLYZING
ESTERASE

(Saccharomyces
cerevisiae) 		PF13472
(Lipase_GDSL_2) 		5 HIS A 200
LEU A 203
LEU A   8
PHE A  79
PHE A 191
 None
 1.08A 1bzfA-3milA:
undetectable		 1bzfA-3milA:
19.92
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.
3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 ALA A 122
LEU A 128
PHE A  59
ALA A 100
THR A 123
 None
 0.94A 1bzfA-3peaA:
undetectable		 1bzfA-3peaA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rf0 EXOPOLYPHOSPHATASE

(Yersinia pestis) 		no annotation 5 ALA A  12
HIS A  63
LEU A  62
LEU A  98
THR A  11
 None
 1.10A 1bzfA-3rf0A:
undetectable		 1bzfA-3rf0A:
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.
3rip GAMMA-TUBULIN
COMPLEX COMPONENT 4

(Homo sapiens) 		PF04130
(Spc97_Spc98) 		5 ALA A 400
LEU A 411
PHE A 372
LEU A 452
ALA A 395
 None
 1.05A 1bzfA-3ripA:
undetectable		 1bzfA-3ripA:
13.88
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.
3t02 PHOSPHONOACETATE
HYDROLASE

(Sinorhizobium
meliloti) 		PF01663
(Phosphodiest) 		5 ALA A  76
LEU A 133
THR A 248
ALA A  25
THR A 112
 None
 1.09A 1bzfA-3t02A:
2.3		 1bzfA-3t02A:
18.54
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.
3t7b ACETYLGLUTAMATE
KINASE

(Yersinia pestis) 		PF00696
(AA_kinase) 		5 LEU A 167
ALA A 173
LEU A  37
LEU A   8
ALA A 164
 None
 0.97A 1bzfA-3t7bA:
undetectable		 1bzfA-3t7bA:
22.22
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   8
ASP A  28
LEU A  29
THR A  47
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
 0.64A 1bzfA-3tq9A:
21.4		 1bzfA-3tq9A:
32.97
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   8
ASP A  28
PHE A  32
THR A  47
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
 0.67A 1bzfA-3tq9A:
21.4		 1bzfA-3tq9A:
32.97
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
PHE A  32
THR A  53
LEU A  64
 None
None
None
SO4  A 201 (-3.7A)
None
 0.80A 1bzfA-3vcoA:
16.7		 1bzfA-3vcoA:
26.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
PHE A  32
THR A  53
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
 0.87A 1bzfA-3vcoA:
16.7		 1bzfA-3vcoA:
26.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vi3 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A 361
ALA A 370
LEU A 419
PHE A  25
LEU A 425
 None
 1.05A 1bzfA-3vi3A:
undetectable		 1bzfA-3vi3A:
13.71
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		5 LEU A 312
ALA A 457
LEU A 440
PHE A 464
ALA A 313
 None
 0.96A 1bzfA-4ainA:
undetectable		 1bzfA-4ainA:
14.63
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.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 LEU A 140
ALA A  30
LEU A  41
LEU A  16
ALA A 136
 None
 1.02A 1bzfA-4am3A:
undetectable		 1bzfA-4am3A:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU A 222
ALA A 516
LEU A 530
LEU A 277
ALA A 194
 None
 0.88A 1bzfA-4az7A:
undetectable		 1bzfA-4az7A:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1
DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae) 		PF08676
(MutL_C)
PF16413
(Mlh1_C) 		5 LEU A 759
ALA A 757
HIS B 857
LEU B 858
PHE B 684
 None
 1.01A 1bzfA-4e4wA:
undetectable		 1bzfA-4e4wA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ese FMN-DEPENDENT
NADH-AZOREDUCTASE

(Yersinia pestis) 		PF02525
(Flavodoxin_2) 		5 LEU A 138
LEU A   5
PHE A 109
LEU A 161
ALA A  94
 None
 1.02A 1bzfA-4eseA:
undetectable		 1bzfA-4eseA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 ALA A 398
HIS A 359
PHE A 355
LEU A 353
ALA A 407
 None
ZN  A 606 (-3.5A)
None
None
None
 1.06A 1bzfA-4gx0A:
2.9		 1bzfA-4gx0A:
14.82
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) 		5 ALA A  11
PHE A  36
THR A  58
LEU A  69
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
None
14Q  A 202 ( 4.6A)
 0.78A 1bzfA-4h96A:
16.9		 1bzfA-4h96A:
30.54
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
PHE A  36
THR A  58
LEU A  69
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
None
14Q  A 302 (-4.2A)
 0.88A 1bzfA-4h98A:
16.9		 1bzfA-4h98A:
27.91
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU A 343
LEU A 359
THR A 393
PHE A 394
LEU A 403
 None
 1.09A 1bzfA-4kngA:
undetectable		 1bzfA-4kngA:
14.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
 0.97A 1bzfA-4m7vA:
22.0		 1bzfA-4m7vA:
38.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
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 (-4.4A)
 0.91A 1bzfA-4m7vA:
22.0		 1bzfA-4m7vA:
38.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nv2 VKORC1/THIOREDOXIN
DOMAIN PROTEIN

(Synechococcus
sp.
JA-2-3B'a(2-13)) 		PF07884
(VKOR) 		5 ALA A  35
LEU A  81
PHE A  80
LEU A 143
THR A  38
 None
 0.98A 1bzfA-4nv2A:
undetectable		 1bzfA-4nv2A:
20.00
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) 		5 ALA A   7
ASP A  27
PHE A  31
THR A  46
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 ( 4.5A)
 0.71A 1bzfA-4p68A:
21.0		 1bzfA-4p68A:
30.06
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.
4rmm PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chromobacterium
violaceum) 		PF03061
(4HBT) 		5 LEU A 106
ALA A 136
LEU A  95
PHE A  69
ALA A 108
 None
 1.09A 1bzfA-4rmmA:
undetectable		 1bzfA-4rmmA:
19.77
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.
4tll RECEPTOR SUBUNIT
GLUN2B

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ALA B 298
LEU B 334
PHE B 141
ALA B 293
THR B 301
 None
 1.07A 1bzfA-4tllB:
undetectable		 1bzfA-4tllB:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u7d ATP-DEPENDENT DNA
HELICASE Q1

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		5 ALA A 257
LEU A 111
PHE A 110
LEU A 250
ALA A 265
 None
 1.06A 1bzfA-4u7dA:
undetectable		 1bzfA-4u7dA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u7l LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		5 LEU A 138
LEU A 155
THR A 190
PHE A 191
LEU A 200
 None
 1.05A 1bzfA-4u7lA:
undetectable		 1bzfA-4u7lA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU A 343
LEU A 359
THR A 393
PHE A 394
LEU A 403
 None
 1.10A 1bzfA-4ufsA:
undetectable		 1bzfA-4ufsA:
14.82
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.
4v35 ALANYL-TRNA-DEPENDEN
T L-ALANYL-
PHOPHATIDYLGLYCEROL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF09924
(DUF2156) 		5 ALA A 739
LEU A 785
LEU A 764
THR A 777
ALA A 749
 None
 0.88A 1bzfA-4v35A:
undetectable		 1bzfA-4v35A:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 LEU A 173
LEU A 127
LEU A 101
ALA A 157
THR A 164
 None
 1.01A 1bzfA-4xriA:
undetectable		 1bzfA-4xriA:
12.00
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ALA A 113
LEU A 579
PHE A 153
LEU A 652
ALA A 118
 None
 1.10A 1bzfA-5chcA:
3.2		 1bzfA-5chcA:
10.41
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.
5daj NALD

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		5 ALA A  19
HIS A  56
LEU A  57
LEU A  33
ALA A  14
 None
 1.06A 1bzfA-5dajA:
undetectable		 1bzfA-5dajA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A 309
LEU A 351
THR A 363
PHE A 366
LEU A 381
 None
 1.08A 1bzfA-5dmhA:
undetectable		 1bzfA-5dmhA:
17.69
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A 313
LEU A 358
LEU A 269
LEU A 299
ALA A 308
 None
 0.82A 1bzfA-5dmhA:
undetectable		 1bzfA-5dmhA:
17.69
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.
5eu0 ANTITOXIN 1
BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS

(Bartonella
rochalimae) 		PF02661
(Fic)
no annotation 		5 LEU A  82
ALA A  55
HIS B  38
PHE A  46
THR A  58
 None
 1.07A 1bzfA-5eu0A:
undetectable		 1bzfA-5eu0A:
22.51
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.
5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM

(Pseudomonas
aeruginosa) 		PF01323
(DSBA) 		5 ALA A  27
HIS A   7
LEU A   6
LEU A 191
ALA A  20
 ALA  A  27 ( 0.0A)
HIS  A   7 ( 1.0A)
LEU  A   6 ( 0.6A)
LEU  A 191 ( 0.6A)
ALA  A  20 ( 0.0A)
 1.09A 1bzfA-5hfiA:
undetectable		 1bzfA-5hfiA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 5 ALA A 319
LEU A 273
PHE A 265
LEU A  47
ALA A 314
 None
 1.10A 1bzfA-5n6vA:
undetectable		 1bzfA-5n6vA:
16.05
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.
5nnz DYNEIN ASSEMBLY
FACTOR WITH WDR
REPEAT DOMAINS 1

(Homo sapiens) 		no annotation 5 ALA B 339
HIS B 359
LEU B 317
THR B 362
ALA B 327
 None
 1.10A 1bzfA-5nnzB:
undetectable		 1bzfA-5nnzB:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
ASP A  31
PHE A  35
THR A  83
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.2A)
 0.95A 1bzfA-5t0lA:
18.5		 1bzfA-5t0lA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tw7 GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Neisseria
gonorrhoeae) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 ASP A 418
PHE A 421
THR A 440
LEU A 488
ALA A 470
 None
 1.04A 1bzfA-5tw7A:
undetectable		 1bzfA-5tw7A:
15.81
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU D 560
ALA D 555
PHE D 512
PHE D 532
LEU D 524
 None
 1.10A 1bzfA-5uheD:
undetectable		 1bzfA-5uheD:
9.18
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.
5x6o SERINE/THREONINE-PRO
TEIN KINASE MEC1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU C2112
ALA C2211
HIS C2218
LEU C2289
LEU C2299
 None
 1.05A 1bzfA-5x6oC:
undetectable		 1bzfA-5x6oC:
15.69
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 LEU B 135
ALA B 158
LEU B 154
LEU B   6
PHE B 124
 None
 1.08A 1bzfA-6avoB:
undetectable		 1bzfA-6avoB:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 6 LEU H 442
ALA H 394
LEU H 357
PHE H 445
LEU H 376
ALA H 441
 None
 1.11A 1bzfA-6cfwH:
undetectable		 1bzfA-6cfwH:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  58
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
 0.83A 1bzfA-6cxmA:
19.3		 1bzfA-6cxmA:
22.75
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.
6e4e -

(-) 		no annotation 6 LEU A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 (-4.3A)
 0.86A 1bzfA-6e4eA:
20.9		 1bzfA-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.
6e4e -

(-) 		no annotation 6 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.3A)
 1.00A 1bzfA-6e4eA:
20.9		 1bzfA-6e4eA:
undetectable