SIMILAR PATTERNS OF AMINO ACIDS FOR 6AOG_B_CP6B704

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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		5 ALA A  72
PHE A  84
THR A 128
VAL A  37
THR A  81
 None
NAG  A 401 ( 3.9A)
None
None
None
 1.49A 6aogB-1b5fA:
undetectable		 6aogB-1b5fA:
16.37
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.
1bvw PROTEIN
(CELLOBIOHYDROLASE
II)

(Humicola
insolens) 		PF01341
(Glyco_hydro_6) 		5 ALA A 169
HIS A 262
PHE A 214
VAL A 149
THR A 219
 None
 1.38A 6aogB-1bvwA:
undetectable		 6aogB-1bvwA:
11.27
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
ASP A  27
PHE A  31
THR A  47
THR A 121
 None
None
None
None
SO4  A 200 (-3.7A)
None
 0.53A 6aogB-1cz3A:
17.6		 6aogB-1cz3A:
21.43
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) 		6 ALA A   9
PHE A  34
THR A  56
VAL A 115
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
HBI  A 198 ( 4.3A)
None
HBI  A 198 ( 4.5A)
 0.45A 6aogB-1dr6A:
24.4		 6aogB-1dr6A:
40.43
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.
1qh1 PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 VAL B 147
HIS B  88
THR B 205
VAL B 179
THR B 149
 None
 1.35A 6aogB-1qh1B:
2.6		 6aogB-1qh1B:
10.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  34
THR A  56
VAL A 115
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.0A)
None
MTX  A 187 (-4.4A)
 0.44A 6aogB-1u70A:
23.7		 6aogB-1u70A:
33.06
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  34
THR A  56
VAL A 115
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-4.3A)
None
MXA  A 187 (-4.3A)
 0.35A 6aogB-1u71A:
24.6		 6aogB-1u71A:
29.75
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.
1xny PROPIONYL-COA
CARBOXYLASE COMPLEX
B SUBUNIT

(Streptomyces
coelicolor) 		PF01039
(Carboxyl_trans) 		5 ALA A 352
ASP A 349
PHE A 379
VAL A 423
THR A 351
 None
None
BTN  A5602 (-4.8A)
None
None
 1.35A 6aogB-1xnyA:
undetectable		 6aogB-1xnyA:
8.67
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
PHE A  31
THR A  46
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
 0.34A 6aogB-1zdrA:
20.1		 6aogB-1zdrA:
28.97
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.
2a0j PTS SYSTEM, NITROGEN
REGULATORY IIA
PROTEIN

(Neisseria
meningitidis) 		PF00359
(PTS_EIIA_2) 		5 ALA A  64
THR A  83
MET A  17
VAL A  87
THR A  57
 None
 1.46A 6aogB-2a0jA:
undetectable		 6aogB-2a0jA:
16.08
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		5 VAL A 310
ALA A 306
ASP A 295
PHE A 291
VAL A 224
 None
 1.16A 6aogB-2amcA:
undetectable		 6aogB-2amcA:
18.71
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
ASP A  53
PHE A  57
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.31A 6aogB-2blbA:
23.0		 6aogB-2blbA:
18.64
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.
2dkk CYTOCHROME P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 VAL A 163
ALA A 119
PHE A 115
VAL A 217
THR A 120
 None
None
HEM  A 430 (-4.4A)
None
None
 1.14A 6aogB-2dkkA:
undetectable		 6aogB-2dkkA:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ess ACYL-ACP
THIOESTERASE

(Bacteroides
thetaiotaomicron) 		PF01643
(Acyl-ACP_TE) 		5 VAL A  84
HIS A  41
MET A 115
VAL A  87
THR A  82
 None
 1.18A 6aogB-2essA:
undetectable		 6aogB-2essA:
12.81
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) 		7 VAL A  26
ALA A  28
ASP A  48
PHE A  52
THR A  80
TYR A 160
THR A 178
 None
NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
 0.47A 6aogB-2h2qA:
18.4		 6aogB-2h2qA:
36.51
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.
2iuw ALKYLATED REPAIR
PROTEIN ALKB HOMOLOG
3

(Homo sapiens) 		PF13532
(2OG-FeII_Oxy_2) 		5 VAL A 188
ASP A 193
THR A 133
MET A 148
TYR A 181
 None
FE  A 500 ( 2.6A)
LED  A 177 ( 4.3A)
None
AKG  A 700 (-4.1A)
 1.40A 6aogB-2iuwA:
undetectable		 6aogB-2iuwA:
14.29
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) 		7 VAL A   9
ALA A  11
ASP A  32
PHE A  36
THR A  58
TYR A 119
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
None
MTX  A 605 ( 4.2A)
 0.38A 6aogB-2oipA:
44.7		 6aogB-2oipA:
44.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvw GLP_546_48378_50642

(Giardia
intestinalis) 		PF00636
(Ribonuclease_3)
PF02170
(PAZ) 		5 ALA A 315
ASP A 274
PHE A  33
VAL A  35
THR A  96
 None
 1.47A 6aogB-2qvwA:
undetectable		 6aogB-2qvwA:
8.60
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) 		7 VAL A   9
ALA A  11
ASP A  31
PHE A  35
THR A  50
TYR A 108
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
None
VG9  A1168 ( 4.7A)
 0.31A 6aogB-2w3wA:
20.9		 6aogB-2w3wA:
33.02
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
HIS A  30
THR A  46
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.52A 6aogB-2w9sA:
20.5		 6aogB-2w9sA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xuz IRON-UPTAKE
SYSTEM-BINDING
PROTEIN

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		5 ALA A  60
PHE A  63
MET A  70
VAL A  44
THR A  81
 None
 1.44A 6aogB-2xuzA:
undetectable		 6aogB-2xuzA:
12.37
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.
3a5i FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		5 VAL A 350
ALA A 352
ASP A 356
VAL A 349
THR A 353
 None
 1.28A 6aogB-3a5iA:
undetectable		 6aogB-3a5iA:
12.80
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 VAL A 310
ASP A 313
HIS A 314
PHE A 312
VAL A 303
 None
 1.13A 6aogB-3bolA:
undetectable		 6aogB-3bolA:
9.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
PHE A  30
THR A  45
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.3A)
 0.44A 6aogB-3dfrA:
21.1		 6aogB-3dfrA:
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 ALA A  16
ASP A  54
PHE A  58
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.35A 6aogB-3dg8A:
23.5		 6aogB-3dg8A:
19.91
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 VAL A  82
ALA A 126
ASP A 124
PHE A 114
VAL A  80
 None
 1.44A 6aogB-3eqqA:
undetectable		 6aogB-3eqqA:
10.91
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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 125
ASP A  87
HIS A  85
VAL A 294
TYR A  37
 CA  A 601 ( 4.9A)
CA  A 601 (-2.1A)
None
None
None
 1.44A 6aogB-3hjrA:
undetectable		 6aogB-3hjrA:
7.50
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
ASP X  27
THR X  46
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
None
N22  X 219 (-4.4A)
 0.39A 6aogB-3i8aX:
20.6		 6aogB-3i8aX:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ALA A   8
PHE A  32
THR A  47
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
None
MTX  A 164 (-4.3A)
 0.33A 6aogB-3ia4A:
20.5		 6aogB-3ia4A:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ALA A  10
HIS A  33
PHE A  34
THR A  49
MET A  53
VAL A 100
THR A 119
 MTX  A 200 (-3.8A)
None
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.60A 6aogB-3ix9A:
20.5		 6aogB-3ix9A:
23.49
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
THR A  69
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
 0.20A 6aogB-3kjrA:
46.0		 6aogB-3kjrA:
8.98
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.
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
 1.15A 6aogB-3pvcA:
2.0		 6aogB-3pvcA:
7.84
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 VAL A  32
ALA A  34
ASP A  54
PHE A  58
THR A  86
TYR A 166
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
WRA  A 602 (-4.2A)
 0.50A 6aogB-3rg9A:
24.4		 6aogB-3rg9A:
29.87
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.
3teh PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		5 VAL A 310
ALA A 306
ASP A 295
PHE A 291
VAL A 224
 None
 1.12A 6aogB-3tehA:
undetectable		 6aogB-3tehA:
10.29
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
PHE A  58
THR A 108
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 (-4.3A)
 0.43A 6aogB-3um6A:
42.0		 6aogB-3um6A:
8.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 VAL A   6
ALA A   8
ASP A  28
PHE A  32
THR A  53
TYR A 117
THR A 133
 None
None
None
None
SO4  A 201 (-3.7A)
None
None
 0.57A 6aogB-3vcoA:
11.7		 6aogB-3vcoA:
42.00
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.
4fxb PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 VAL A 158
THR A 376
VAL A 134
TYR A 154
THR A 254
 None
None
None
None
HEM  A 501 (-4.0A)
 1.43A 6aogB-4fxbA:
undetectable		 6aogB-4fxbA:
13.14
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
PHE X  36
THR X  61
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
TOP  X 301 (-4.5A)
 0.29A 6aogB-4g8zX:
23.3		 6aogB-4g8zX:
24.14
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
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
None
14Q  A 202 ( 4.6A)
 0.65A 6aogB-4h96A:
19.7		 6aogB-4h96A:
41.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
PHE A  36
THR A  58
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
None
14Q  A 302 (-4.2A)
 0.43A 6aogB-4h98A:
20.7		 6aogB-4h98A:
37.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kf9 GLUTATHIONE
S-TRANSFERASE
PROTEIN

(Ralstonia
solanacearum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 VAL A 270
ALA A 272
PHE A 308
VAL A 280
THR A 273
 None
 1.38A 6aogB-4kf9A:
undetectable		 6aogB-4kf9A:
14.59
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.
4les PROTEIN - CONSERVED
HYPOTHETICAL

(Bacillus
anthracis) 		no annotation 5 VAL A 117
ALA A 155
ASP A 159
VAL A 118
TYR A 184
 None
 1.37A 6aogB-4lesA:
undetectable		 6aogB-4lesA:
16.08
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
HIS A  30
PHE A  31
THR A  46
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
TMQ  A 202 (-4.2A)
 0.48A 6aogB-4m2xA:
20.0		 6aogB-4m2xA:
18.13
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
ASP A  27
PHE A  31
THR A  46
MET A  50
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.0A)
RAR  A 200 (-4.4A)
 0.56A 6aogB-4m7vA:
19.8		 6aogB-4m7vA:
30.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
PHE A  31
THR A  46
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
None
MTX  A 201 ( 4.5A)
 0.35A 6aogB-4p68A:
21.3		 6aogB-4p68A:
33.70
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 375
ALA A 399
THR A 391
VAL A 374
THR A 400
 None
 1.47A 6aogB-4q9dA:
2.3		 6aogB-4q9dA:
9.78
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.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		5 VAL A 111
HIS A 105
PHE A 101
THR A  73
VAL A 113
 None
 1.43A 6aogB-4tmcA:
undetectable		 6aogB-4tmcA:
12.53
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.
5aew BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Paraburkholderia
xenovorans) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 VAL A  86
ALA A 130
ASP A 128
PHE A 118
VAL A  84
 None
 1.33A 6aogB-5aewA:
undetectable		 6aogB-5aewA:
12.81
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  48
THR A  63
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
CME  A 140 ( 4.5A)
 0.38A 6aogB-5dxvA:
7.2		 6aogB-5dxvA:
29.13
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
MET A  50
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 (-3.2A)
None
 0.79A 6aogB-5ecxA:
20.3		 6aogB-5ecxA:
20.13
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.
5fp2 FERRIC ENTEROBACTIN
RECEPTOR PIRA

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 VAL A 661
ALA A 663
VAL A 677
TYR A 707
THR A 624
 None
 1.12A 6aogB-5fp2A:
undetectable		 6aogB-5fp2A:
8.05
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 ALA A 605
ASP A 295
HIS A 541
THR A 189
VAL A 303
 None
 1.43A 6aogB-5svcA:
undetectable		 6aogB-5svcA:
6.76
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
ASP A  31
HIS A  34
PHE A  35
THR A  83
MET A  87
VAL A 151
TYR A 157
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.8A)
73X  A 704 ( 3.8A)
None
73X  A 704 (-4.2A)
 0.19A 6aogB-5t0lA:
56.9		 6aogB-5t0lA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
PHE A  32
THR A  47
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.4A)
 0.28A 6aogB-6cxmA:
19.4		 6aogB-6cxmA:
36.05
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.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum) 		no annotation 5 VAL A 188
ALA A 180
PHE A 261
VAL A 177
THR A 181
 None
 1.43A 6aogB-6d47A:
undetectable		 6aogB-6d47A:
15.85