SIMILAR PATTERNS OF AMINO ACIDS FOR 5BYJ_A_OQRA302_0

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.
1b5d PROTEIN
(DEOXYCYTIDYLATE
HYDROXYMETHYLASE)

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 ILE A 100
VAL A 165
GLY A 125
THR A 149
LEU A 190
 None
 1.18A 5byjA-1b5dA:
undetectable		 5byjA-1b5dA:
24.32
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.
1cf2 PROTEIN
(GLYCERALDEHYDE-3-PH
OSPHATE
DEHYDROGENASE)

(Methanothermus
fervidus) 		no annotation 5 ILE P 236
LEU P 149
VAL P 223
PHE P 240
THR P 148
 None
 1.19A 5byjA-1cf2P:
2.3		 5byjA-1cf2P:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 ILE A 303
LEU A 383
GLY A 356
PHE A 388
THR A 386
 None
 1.02A 5byjA-1ciyA:
undetectable		 5byjA-1ciyA:
16.75
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.
1gve AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 PHE A 311
LEU A 317
GLY A 199
MET A 259
THR A 202
 None
None
NAP  A1328 (-3.2A)
None
NAP  A1328 ( 4.0A)
 1.16A 5byjA-1gveA:
undetectable		 5byjA-1gveA:
20.96
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.
1iu8 PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Pyrococcus
horikoshii) 		PF01470
(Peptidase_C15) 		5 ILE A 193
LEU A 200
GLY A  35
LEU A  64
THR A   6
 None
 1.01A 5byjA-1iu8A:
2.9		 5byjA-1iu8A:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 HIS A 546
ILE A 627
LEU A 622
THR A 397
LEU A 419
 None
 0.99A 5byjA-1ms8A:
undetectable		 5byjA-1ms8A:
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.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		5 ILE A 407
GLY A 384
PHE A 432
THR A 488
LEU A 389
 None
None
MAY  A 600 ( 4.9A)
MAY  A 600 ( 4.2A)
None
 1.00A 5byjA-1mt5A:
undetectable		 5byjA-1mt5A:
18.46
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.
1nq4 OXYTETRACYCLINE
POLYKETIDE SYNTHASE
ACYL CARRIER PROTEIN

(Streptomyces
rimosus) 		PF00550
(PP-binding) 		5 ILE A  51
LEU A  10
THR A  11
LEU A  81
THR A   2
 None
 1.20A 5byjA-1nq4A:
undetectable		 5byjA-1nq4A:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 PHE A 216
ILE A 194
VAL A 173
GLY A 201
THR A 178
 None
 1.09A 5byjA-1q6hA:
undetectable		 5byjA-1q6hA:
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.
1u02 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF02358
(Trehalose_PPase) 		5 ILE A   4
LEU A 225
GLY A 178
LEU A  12
THR A  11
 None
 1.20A 5byjA-1u02A:
undetectable		 5byjA-1u02A:
20.58
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.
1v5i IA-1=SERINE
PROTEINASE INHIBITOR

(Pleurotus
ostreatus) 		no annotation 5 PHE B  44
ILE B  32
GLY B  29
LEU B  48
THR B  49
 None
 1.18A 5byjA-1v5iB:
undetectable		 5byjA-1v5iB:
15.64
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ILE A 121
LEU A 355
VAL A  84
GLY A  92
PHE A  95
 None
 0.91A 5byjA-2e5vA:
undetectable		 5byjA-2e5vA:
20.51
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.
2fho SPLICEOSOMAL PROTEIN
P14

(Homo sapiens) 		PF00076
(RRM_1) 		5 PHE B  39
ILE B  48
GLY B  51
LEU B  26
THR B  59
 None
 1.14A 5byjA-2fhoB:
undetectable		 5byjA-2fhoB:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 MET A 120
ILE A 123
VAL A 145
GLY A  45
THR A 147
 None
 1.18A 5byjA-2hg4A:
undetectable		 5byjA-2hg4A:
12.85
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.
2hi6 UPF0107 PROTEIN
AF0055

(Archaeoglobus
fulgidus) 		PF01989
(DUF126) 		5 ILE A  81
LEU A  18
GLY A  64
PHE A  55
THR A  20
 None
 1.15A 5byjA-2hi6A:
undetectable		 5byjA-2hi6A:
19.69
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 PHE A  13
ILE A  34
LEU A 386
GLY A 380
PHE A 377
 None
 1.09A 5byjA-2i9uA:
undetectable		 5byjA-2i9uA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		5 PHE A 244
ILE A 247
GLY A 214
PHE A 200
THR A 199
 None
 0.86A 5byjA-2nq9A:
undetectable		 5byjA-2nq9A:
21.77
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.
2v41 PEROXIREDOXIN 6.

(Arenicola
marina) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PHE A   9
ILE A   3
LEU A 141
VAL A 130
LEU A 106
 None
 1.17A 5byjA-2v41A:
undetectable		 5byjA-2v41A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		5 PHE A  81
ILE A  78
LEU A  52
PHE A  69
THR A  53
 None
 1.14A 5byjA-2xmrA:
undetectable		 5byjA-2xmrA:
22.82
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.
2z95 GDP-D-MANNOSE
DEHYDRATASE

(Aquifex
aeolicus) 		PF16363
(GDP_Man_Dehyd) 		5 ILE A 202
VAL A 257
GLY A 265
MET A 331
LEU A 335
 None
 0.99A 5byjA-2z95A:
1.7		 5byjA-2z95A:
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.
3fvv UNCHARACTERIZED
PROTEIN

(Bordetella
pertussis) 		PF12710
(HAD) 		5 HIS A 104
ILE A 201
LEU A   8
VAL A 197
GLY A 217
 None
 1.19A 5byjA-3fvvA:
undetectable		 5byjA-3fvvA:
19.49
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.
3g06 SSPH2 (LEUCINE-RICH
REPEAT PROTEIN)

(Salmonella
enterica) 		PF14496
(NEL) 		5 ILE A 552
VAL A 584
PHE A 548
THR A 539
MET A 591
 None
 1.12A 5byjA-3g06A:
undetectable		 5byjA-3g06A:
17.68
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.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A 129
LEU A 132
PHE A  66
THR A  62
LEU A  30
 None
 1.07A 5byjA-3gd5A:
undetectable		 5byjA-3gd5A:
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.
3gk3 ACETOACETYL-COA
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		5 HIS A 162
LEU A 239
VAL A 137
GLY A  91
MET A 117
 None
 1.12A 5byjA-3gk3A:
2.4		 5byjA-3gk3A:
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.
3h8f CYTOSOL
AMINOPEPTIDASE

(Pseudomonas
putida) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 MET A 393
LEU A 417
GLY A 293
THR A 444
LEU A 487
 None
 1.00A 5byjA-3h8fA:
undetectable		 5byjA-3h8fA:
18.50
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.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 ILE A  20
LEU A  47
VAL A  31
GLY A  70
THR A  68
 None
 1.12A 5byjA-3ijpA:
undetectable		 5byjA-3ijpA:
20.94
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 ILE A 407
VAL A 574
GLY A 551
MET A 557
LEU A 558
 None
 0.82A 5byjA-3kbhA:
undetectable		 5byjA-3kbhA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 PHE A 386
VAL A 272
THR A 259
LEU A 307
THR A 306
 None
 1.20A 5byjA-3l7gA:
undetectable		 5byjA-3l7gA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lly AGGLUTININ ALPHA
CHAIN

(Maclura
pomifera) 		PF01419
(Jacalin) 		5 PHE A 116
ILE A 129
LEU A 112
LEU A  84
THR A  85
 None
 1.09A 5byjA-3llyA:
undetectable		 5byjA-3llyA:
18.50
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.
3lqv PRE-MRNA BRANCH SITE
PROTEIN P14

(Homo sapiens) 		PF00076
(RRM_1) 		5 PHE A  39
ILE A  48
GLY A  51
LEU A  26
THR A  59
 None
 0.98A 5byjA-3lqvA:
undetectable		 5byjA-3lqvA:
18.15
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.
3mjd OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Francisella
tularensis) 		PF00156
(Pribosyltran) 		5 ILE A 142
LEU A  61
VAL A 146
MET A 122
THR A 163
 None
 1.14A 5byjA-3mjdA:
undetectable		 5byjA-3mjdA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA

(Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ILE A  98
VAL A  72
PHE A  13
MET A  63
LEU A  60
 None
 1.16A 5byjA-3myrA:
undetectable		 5byjA-3myrA:
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		5 ILE A 740
VAL A 756
GLY A 691
THR A 752
THR A 762
 None
 1.20A 5byjA-3nawA:
undetectable		 5byjA-3nawA:
18.56
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.
3o7q L-FUCOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ILE A 226
VAL A 142
GLY A  93
PHE A 231
LEU A 134
 None
None
None
None
BNG  A 439 ( 4.3A)
 1.15A 5byjA-3o7qA:
undetectable		 5byjA-3o7qA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 MET A 393
ILE A 395
VAL A 420
GLY A 424
LEU A 448
 None
 1.06A 5byjA-3pigA:
undetectable		 5byjA-3pigA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		5 PHE A 342
ILE A  52
LEU A 330
GLY A  73
PHE A  43
 None
 1.07A 5byjA-3qufA:
undetectable		 5byjA-3qufA:
21.02
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 5 HIS A 136
ILE A 107
VAL A 114
GLY A  85
PHE A 122
 FE  A 263 (-3.4A)
None
None
None
None
 1.13A 5byjA-3qy7A:
undetectable		 5byjA-3qy7A:
21.38
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.
3r9s CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 PHE A  63
ILE A  20
LEU A 189
VAL A  54
GLY A  38
 None
 1.13A 5byjA-3r9sA:
undetectable		 5byjA-3r9sA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rjo ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF11838
(ERAP1_C) 		5 PHE A 864
ILE A 871
GLY A 877
LEU A 836
THR A 837
 None
 1.05A 5byjA-3rjoA:
undetectable		 5byjA-3rjoA:
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ILE A 471
LEU A 428
THR A 430
LEU A 482
THR A 502
 None
 0.96A 5byjA-3szeA:
undetectable		 5byjA-3szeA:
14.68
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.
3thw DNA MISMATCH REPAIR
PROTEIN MSH3

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05192
(MutS_III) 		5 MET B 883
ILE B 885
VAL B 900
GLY B 892
THR B 873
 None
 1.02A 5byjA-3thwB:
undetectable		 5byjA-3thwB:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tpf ORNITHINE
CARBAMOYLTRANSFERASE

(Campylobacter
jejuni) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 PHE A   4
ILE A 116
LEU A 119
PHE A  53
LEU A  18
 None
 1.06A 5byjA-3tpfA:
undetectable		 5byjA-3tpfA:
21.18
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.
3txx PUTRESCINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A 122
GLY A 303
PHE A  59
THR A  55
LEU A  19
 None
 1.17A 5byjA-3txxA:
2.0		 5byjA-3txxA:
22.73
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD

(Thermococcus
kodakarensis) 		PF01924
(HypD) 		6 ILE B  70
VAL B  37
GLY B 360
PHE B 149
THR B 180
THR B 361
 None
 1.24A 5byjA-3vysB:
undetectable		 5byjA-3vysB:
21.04
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.
3won DIPEPTIDYL
AMINOPEPTIDASE BII

(Pseudoxanthomonas
mexicana) 		PF10459
(Peptidase_S46) 		5 MET A 705
ILE A 704
LEU A 714
GLY A 204
PHE A 225
 None
 1.17A 5byjA-3wonA:
undetectable		 5byjA-3wonA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zrp SERINE-PYRUVATE
AMINOTRANSFERASE
(AGXT)

(Sulfolobus
solfataricus) 		PF00266
(Aminotran_5) 		5 PHE A 336
ILE A 338
VAL A 355
GLY A 281
LEU A 287
 None
 1.19A 5byjA-3zrpA:
undetectable		 5byjA-3zrpA:
19.90
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.
4arx PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 ILE A 303
LEU A 383
GLY A 357
PHE A 388
THR A 386
 None
 1.07A 5byjA-4arxA:
undetectable		 5byjA-4arxA:
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.
4b9f CELLULOSOMAL-SCAFFOL
DING PROTEIN A

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		5 PHE A  22
ILE A 109
PHE A  96
LEU A  92
THR A  77
 None
 1.03A 5byjA-4b9fA:
undetectable		 5byjA-4b9fA:
20.26
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.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		5 LEU A 360
VAL A 529
GLY A 402
THR A 348
LEU A 525
 None
 1.07A 5byjA-4bl3A:
undetectable		 5byjA-4bl3A:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		5 PHE A 408
VAL A 418
GLY A 371
LEU A 368
THR A 369
 None
 1.14A 5byjA-4cp6A:
undetectable		 5byjA-4cp6A:
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.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		5 VAL A 418
GLY A 371
PHE A 401
LEU A 368
THR A 369
 None
 1.02A 5byjA-4cp6A:
undetectable		 5byjA-4cp6A:
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1

(Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C) 		5 HIS A 748
LEU A 529
THR A 530
LEU A 575
THR A 576
 None
None
GOL  A 802 ( 4.4A)
EDO  A 806 ( 4.5A)
EDO  A 806 (-4.4A)
 1.12A 5byjA-4e4wA:
undetectable		 5byjA-4e4wA:
23.00
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 LEU A 222
VAL A 234
GLY A 122
LEU A 159
THR A 158
 None
 1.10A 5byjA-4f0lA:
undetectable		 5byjA-4f0lA:
19.31
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.
4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 MET A 437
ILE A 433
LEU A 440
VAL A 360
GLY A  70
 None
 1.10A 5byjA-4fxsA:
undetectable		 5byjA-4fxsA:
18.92
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.
4hvm TLMII

(Streptoalloteichus
hindustanus) 		PF00668
(Condensation) 		5 ILE A 427
LEU A 421
GLY A 238
LEU A 227
THR A 228
 None
 1.15A 5byjA-4hvmA:
undetectable		 5byjA-4hvmA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzi ABC TRANSPORTER
ATP-BINDING PROTEIN

(Leptospira
interrogans) 		PF00005
(ABC_tran) 		5 ILE A 154
LEU A 105
VAL A 161
THR A 126
LEU A  85
 None
 1.05A 5byjA-4hziA:
undetectable		 5byjA-4hziA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		5 MET A 437
ILE A 433
LEU A 440
VAL A 360
GLY A  70
 None
 1.13A 5byjA-4ix2A:
undetectable		 5byjA-4ix2A:
20.78
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.
4jo5 CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		5 PHE A  39
ILE A 126
PHE A 113
LEU A 109
THR A  94
 None
 1.08A 5byjA-4jo5A:
undetectable		 5byjA-4jo5A:
21.40
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.
4l8k PUTATIVE PEPTIDASE

(Parabacteroides
merdae) 		PF03572
(Peptidase_S41)
PF14684
(Tricorn_C1) 		5 MET A 180
PHE A 146
VAL A 249
GLY A 265
THR A 263
 MPD  A 403 ( 4.2A)
None
None
None
None
 1.19A 5byjA-4l8kA:
undetectable		 5byjA-4l8kA:
23.77
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.
4m8n PLEXINC1
INTRACELLULAR REGION

(Danio rerio) 		PF08337
(Plexin_cytopl) 		5 ILE A 608
LEU A 720
PHE A 609
THR A 676
LEU A 733
 None
 1.05A 5byjA-4m8nA:
undetectable		 5byjA-4m8nA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ILE A  35
LEU A 243
GLY A  47
PHE A  39
THR A 244
 None
 1.19A 5byjA-4nbrA:
1.6		 5byjA-4nbrA:
20.07
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.
4og1 ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 MET A  36
PHE A  37
ILE A  40
GLY A 128
MET A 153
 None
 1.04A 5byjA-4og1A:
undetectable		 5byjA-4og1A:
20.58
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.
4pyt UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(unidentified) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ILE A  39
LEU A   8
VAL A  79
GLY A  64
THR A  49
 CL  A 405 ( 4.8A)
None
None
FAD  A 401 (-3.5A)
None
 1.11A 5byjA-4pytA:
undetectable		 5byjA-4pytA:
20.85
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 ILE A 303
LEU A 383
GLY A 357
PHE A 388
THR A 386
 None
 1.06A 5byjA-4w8jA:
undetectable		 5byjA-4w8jA:
12.36
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.
4wa0 POSSIBLE ADHESIN

(Caldicellulosiruptor
kronotskyensis) 		no annotation 5 PHE A 536
ILE A 534
PHE A 555
MET A 544
LEU A 526
 None
 1.17A 5byjA-4wa0A:
undetectable		 5byjA-4wa0A:
20.60
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.
4wum CHALCONE SYNTHASE

(Freesia hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 114
LEU A  20
GLY A 149
LEU A 144
THR A 145
 None
 1.15A 5byjA-4wumA:
undetectable		 5byjA-4wumA:
21.05
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.
4yx8 DSBA-LIKE PROTEIN

(Proteus
mirabilis) 		PF13462
(Thioredoxin_4) 		5 ILE A 108
LEU A 143
GLY A  68
PHE A 136
THR A  98
 None
 1.14A 5byjA-4yx8A:
undetectable		 5byjA-4yx8A:
22.31
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		5 PHE A1208
ILE A1205
VAL A1180
GLY A1176
THR A1172
 None
 1.13A 5byjA-5amqA:
undetectable		 5byjA-5amqA:
8.15
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.
5azd BACTERIORHODOPSIN

(Thermus
thermophilus) 		PF01036
(Bac_rhodopsin) 		5 PHE A 179
ILE A 174
LEU A 186
THR A 190
THR A 118
 None
 1.08A 5byjA-5azdA:
undetectable		 5byjA-5azdA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 12 HIS A  37
MET A  38
PHE A  39
ILE A  42
LEU A  92
VAL A 128
GLY A 143
PHE A 153
THR A 157
MET A 233
LEU A 236
THR A 237
 OAQ  A 302 ( 4.6A)
OAQ  A 302 (-4.3A)
None
None
OAQ  A 302 (-4.0A)
OAQ  A 302 (-4.0A)
OAQ  A 302 ( 4.1A)
OAQ  A 302 ( 4.8A)
OAQ  A 302 (-2.6A)
None
None
OAQ  A 302 (-3.8A)
 0.32A 5byjA-5bykA:
44.6		 5byjA-5bykA:
100.00
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A  31
VAL A  54
GLY A 146
THR A  40
MET A 352
 None
 1.06A 5byjA-5epgA:
undetectable		 5byjA-5epgA:
10.69
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 PHE A 226
ILE A 223
VAL A 190
GLY A 212
PHE A 202
 None
 1.04A 5byjA-5ey7A:
undetectable		 5byjA-5ey7A:
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		5 LEU A 385
VAL A 569
GLY A 342
PHE A 336
LEU A 352
 None
 1.15A 5byjA-5firA:
undetectable		 5byjA-5firA:
18.31
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ILE A 577
GLY A 150
PHE A 529
THR A 598
THR A  92
 None
 1.09A 5byjA-5fr8A:
undetectable		 5byjA-5fr8A:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fyg CYTOCHROME P450

(Marinobacter
hydrocarbonoclasticus) 		PF00067
(p450) 		5 HIS A 156
PHE A 148
ILE A 149
GLY A 312
LEU A 308
 HEM  A1475 (-3.8A)
HEM  A1475 (-4.8A)
HEM  A1475 (-4.1A)
HEM  A1475 (-3.4A)
None
 1.20A 5byjA-5fygA:
undetectable		 5byjA-5fygA:
19.38
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli;
Escherichia
coli) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU A  86
VAL A 109
GLY A 205
THR A  95
LEU B 103
 None
None
None
None
FAD  B 321 (-4.3A)
 0.92A 5byjA-5g5gA:
undetectable		 5byjA-5g5gA:
22.15
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.
5hwi GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE

(Saccharomyces
cerevisiae) 		PF04752
(ChaC) 		5 ILE A  32
LEU A 156
GLY A  14
THR A 158
LEU A 204
 None
None
SIN  A 301 (-3.1A)
None
None
 1.05A 5byjA-5hwiA:
undetectable		 5byjA-5hwiA:
21.88
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.
5i7p PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		5 PHE A 146
ILE A  76
VAL A  55
GLY A  83
LEU A 139
 None
 1.12A 5byjA-5i7pA:
undetectable		 5byjA-5i7pA:
21.27
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.
5i7q PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE 16
KDA PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE,PEPTIDYL-P
ROLYL CIS-TRANS
ISOMERASE FKBP1A

(Escherichia
coli;
Homo sapiens) 		PF00254
(FKBP_C) 		5 PHE A 147
ILE A  76
VAL A  55
GLY A  83
LEU A 140
 None
 1.07A 5byjA-5i7qA:
undetectable		 5byjA-5i7qA:
21.54
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.
5id4 DSBA-LIKE PROTEIN

(Proteus
mirabilis) 		PF13462
(Thioredoxin_4) 		5 ILE A 108
LEU A 143
GLY A  68
PHE A 136
THR A  98
 None
 1.18A 5byjA-5id4A:
undetectable		 5byjA-5id4A:
21.13
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		5 PHE A 535
ILE A 693
LEU A 707
MET A 719
LEU A 722
 None
 1.10A 5byjA-5ikzA:
undetectable		 5byjA-5ikzA:
12.40
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.
5iwd DNA POLYMERASE
PROCESSIVITY FACTOR

(Human
betaherpesvirus
5) 		PF03325
(Herpes_PAP) 		5 MET A 116
ILE A 114
LEU A  99
PHE A  90
THR A  94
 None
 1.14A 5byjA-5iwdA:
undetectable		 5byjA-5iwdA:
21.82
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.
5j4r WELO5

(Hapalosiphon
welwitschii) 		no annotation 5 PHE A 128
ILE A  29
VAL A  22
GLY A  40
MET A 249
 None
 1.20A 5byjA-5j4rA:
undetectable		 5byjA-5j4rA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1c WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens) 		PF00400
(WD40) 		5 HIS C 303
LEU C 536
THR C 548
LEU C 526
THR C  19
 None
 1.17A 5byjA-5k1cC:
undetectable		 5byjA-5k1cC:
19.29
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.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 ILE A  31
LEU A  37
GLY A  76
LEU A 284
THR A 282
 None
 1.07A 5byjA-5ko5A:
undetectable		 5byjA-5ko5A:
25.64
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.
5mm7 -

(-) 		no annotation 5 ILE K 419
LEU K 437
VAL K 423
THR K 436
THR K 190
 None
 1.12A 5byjA-5mm7K:
undetectable		 5byjA-5mm7K:
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.
5mr3 VITELLINE ENVELOPE
SPERM LYSIN RECEPTOR

(Haliotis
rufescens) 		PF11386
(VERL) 		5 PHE B 192
ILE B 278
VAL B 216
MET B 207
LEU B 266
 None
 1.17A 5byjA-5mr3B:
undetectable		 5byjA-5mr3B:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfb GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 PHE A 198
ILE A 200
GLY A 235
PHE A 159
LEU A 242
 None
 0.96A 5byjA-5nfbA:
undetectable		 5byjA-5nfbA:
22.69
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.
5o2c SERINE/THREONINE-PRO
TEIN KINASE WNK3

(Homo sapiens) 		PF00069
(Pkinase)
PF12202
(OSR1_C) 		5 ILE A 206
GLY A 296
PHE A 209
THR A 227
LEU A 276
 None
GOL  A 603 (-3.6A)
None
GOL  A 604 (-3.9A)
None
 1.16A 5byjA-5o2cA:
undetectable		 5byjA-5o2cA:
20.85
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.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		5 PHE A 126
ILE A 123
LEU A 108
VAL A  47
GLY A 117
 None
None
None
None
SAH  A 301 (-3.4A)
 1.05A 5byjA-5o4mA:
undetectable		 5byjA-5o4mA:
26.43
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.
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT5

(Homo sapiens) 		PF00467
(KOW)
PF03439
(Spt5-NGN) 		5 HIS Z 572
ILE Z 550
GLY Z 633
LEU Z 506
THR Z 507
 None
 1.05A 5byjA-5oikZ:
undetectable		 5byjA-5oikZ:
12.93
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.
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT5

(Homo sapiens) 		PF00467
(KOW)
PF03439
(Spt5-NGN) 		5 ILE Z 550
GLY Z 633
THR Z 569
LEU Z 506
THR Z 507
 None
 1.14A 5byjA-5oikZ:
undetectable		 5byjA-5oikZ:
12.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 10 HIS A  52
MET A  53
ILE A  57
LEU A 101
VAL A 137
GLY A 152
PHE A 162
MET A 242
LEU A 245
THR A 246
 OAQ  A 302 ( 4.9A)
OAQ  A 302 (-4.5A)
OAQ  A 302 ( 4.9A)
OAQ  A 302 ( 4.1A)
OAQ  A 302 (-4.0A)
OAQ  A 302 ( 4.5A)
OAQ  A 302 (-4.6A)
OAQ  A 302 ( 4.0A)
OAQ  A 302 ( 4.4A)
OAQ  A 302 (-3.5A)
 0.48A 5byjA-5tiwA:
39.7		 5byjA-5tiwA:
75.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum) 		no annotation 7 HIS A  37
MET A  38
ILE A  42
LEU A  88
VAL A 124
PHE A 149
THR A 233
 None
 0.55A 5byjA-5tizA:
35.3		 5byjA-5tizA:
57.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum) 		no annotation 6 HIS A  37
MET A  38
ILE A  42
VAL A 124
LEU A 232
THR A 233
 None
 0.53A 5byjA-5tizA:
35.3		 5byjA-5tizA:
57.72
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.
5umf RIBULOSE-PHOSPHATE
3-EPIMERASE

(Neisseria
gonorrhoeae) 		PF00834
(Ribul_P_3_epim) 		5 PHE A 199
ILE A 183
LEU A 137
PHE A 149
THR A 153
 None
 1.12A 5byjA-5umfA:
undetectable		 5byjA-5umfA:
20.51
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.
5v36 GLUTATHIONE
REDUCTASE

(Streptococcus
mutans) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 137
LEU A 321
GLY A 276
LEU A 279
THR A 278
 None
 1.19A 5byjA-5v36A:
undetectable		 5byjA-5v36A:
20.43
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.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		5 PHE A 215
ILE A 192
VAL A 171
GLY A 199
THR A 176
 None
None
TLA  A 301 (-3.4A)
None
None
 1.07A 5byjA-5xb0A:
undetectable		 5byjA-5xb0A:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xj6 GLYCEROL-3-PHOSPHATE
ACYLTRANSFERASE

(Aquifex
aeolicus) 		no annotation 5 VAL A 106
GLY A  85
THR A 146
MET A  93
LEU A  90
 PO4  A 306 (-4.0A)
None
OLC  A 302 ( 3.9A)
None
OLC  A 305 ( 4.9A)
 1.14A 5byjA-5xj6A:
undetectable		 5byjA-5xj6A:
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.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 5 ILE A 114
LEU A  20
GLY A 149
LEU A 144
THR A 145
 None
 1.16A 5byjA-6co0A:
undetectable		 5byjA-6co0A:
undetectable