SIMILAR PATTERNS OF AMINO ACIDS FOR 4KOS_A_4KOA201_1

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.
1ciy CRYIA(A)

(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
5 TYR A 250
ASN A 249
ILE A 243
PHE A  45
LEU A  60
None
1.43A 4kosA-1ciyA:
1.1
4kosA-1ciyA:
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.
1edg ENDOGLUCANASE A

([Clostridium]
cellulolyticum)
PF00150
(Cellulase)
5 PRO A  18
GLY A  22
ASN A  24
ILE A 250
ARG A 299
None
1.23A 4kosA-1edgA:
0.0
4kosA-1edgA:
17.80
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.
1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE


(Hydrogenophaga
pseudoflava)
PF00111
(Fer2)
PF01799
(Fer2_2)
5 CYH A 104
PRO A 106
GLY A  48
ASN A 134
ILE A  40
FES  A1907 (-2.2A)
None
FES  A1908 (-3.7A)
None
FES  A1908 ( 4.4A)
1.45A 4kosA-1ffvA:
0.0
4kosA-1ffvA:
24.44
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.
1iyx ENOLASE

(Enterococcus
hirae)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 GLY A 392
ASN A 147
MET A 146
ILE A 389
LEU A 337
None
1.06A 4kosA-1iyxA:
0.0
4kosA-1iyxA:
15.74
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.
1jny ELONGATION FACTOR
1-ALPHA


(Sulfolobus
solfataricus)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
5 PRO A 195
GLY A  18
ASN A 152
PHE A  55
LEU A  59
GDP  A 500 (-4.3A)
GDP  A 500 (-3.2A)
GDP  A 500 (-3.2A)
None
None
1.46A 4kosA-1jnyA:
undetectable
4kosA-1jnyA:
17.63
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus)
PF01979
(Amidohydro_1)
5 CYH A  48
PRO A 398
GLY A   8
ILE A  10
LEU A 361
None
1.37A 4kosA-1k1dA:
0.0
4kosA-1k1dA:
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN


(Oligotropha
carboxidovorans)
PF00111
(Fer2)
PF01799
(Fer2_2)
5 CYH A 105
PRO A 107
GLY A  48
ASN A 135
ILE A  40
FES  A4907 (-2.2A)
None
FES  A4908 (-3.9A)
None
FES  A4908 (-4.4A)
1.45A 4kosA-1n60A:
undetectable
4kosA-1n60A:
23.63
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.
1nw5 MODIFICATION
METHYLASE RSRI


(Rhodobacter
sphaeroides)
PF01555
(N6_N4_Mtase)
5 GLY A 106
ILE A 159
PHE A 162
ARG A 127
LEU A 134
None
1.17A 4kosA-1nw5A:
0.0
4kosA-1nw5A:
22.87
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.
1px8 BETA-XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum)
PF01229
(Glyco_hydro_39)
5 CYH A  58
ARG A  65
GLY A  62
ILE A  82
LEU A  31
None
1.48A 4kosA-1px8A:
1.0
4kosA-1px8A:
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.
1tu7 GLUTATHIONE
S-TRANSFERASE 2


(Onchocerca
volvulus)
PF02798
(GST_N)
PF14497
(GST_C_3)
5 ARG A  95
GLY A  64
ILE A  60
ARG A  18
LEU A   5
GSH  A1001 (-3.6A)
None
None
None
None
1.36A 4kosA-1tu7A:
undetectable
4kosA-1tu7A:
22.07
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE


(Bacillus
anthracis)
PF00809
(Pterin_bind)
5 PRO A 212
GLY A 249
ASN A 207
ILE A 246
PHE A 252
None
1.38A 4kosA-1twwA:
undetectable
4kosA-1twwA:
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE


(Bacillus
anthracis)
PF00809
(Pterin_bind)
5 PRO A 212
GLY A 249
ILE A 246
PHE A 252
LEU A  21
None
1.36A 4kosA-1twwA:
undetectable
4kosA-1twwA:
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE


(Escherichia
coli)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
5 GLY A 111
ASN A 178
ILE A 201
TYR A 202
LEU A 278
KCX  A 198 ( 3.9A)
None
KCX  A 198 ( 3.6A)
None
None
1.23A 4kosA-1uagA:
undetectable
4kosA-1uagA:
16.99
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F)
PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike)
5 PRO A 372
TYR A 324
GLY A 346
ASN A 326
MET A 345
PRO  A 372 ( 1.1A)
TYR  A 324 ( 1.3A)
GLY  A 346 ( 0.0A)
ASN  A 326 ( 0.6A)
MET  A 345 ( 0.0A)
1.34A 4kosA-1v0fA:
undetectable
4kosA-1v0fA:
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.
1vjg PUTATIVE LIPASE FROM
THE G-D-S-L FAMILY


(Nostoc sp. PCC
7120)
PF13472
(Lipase_GDSL_2)
5 CYH A  27
PRO A  25
ARG A  33
TYR A 188
GLY A  29
None
1.40A 4kosA-1vjgA:
0.8
4kosA-1vjgA:
22.12
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii)
PF00128
(Alpha-amylase)
5 TYR A  34
GLY A  32
ASN A  77
ILE A 321
PHE A  28
None
1.19A 4kosA-1wzaA:
undetectable
4kosA-1wzaA:
15.42
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.
2fym ENOLASE

(Escherichia
coli)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 GLY A 394
ASN A 151
MET A 150
ILE A 391
LEU A 339
None
1.09A 4kosA-2fymA:
undetectable
4kosA-2fymA:
17.51
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.
2n3w 26S PROTEASOME
REGULATORY SUBUNIT
RPN1


(Saccharomyces
cerevisiae)
PF01851
(PC_rep)
5 CYH A 538
GLY A 540
ILE A 546
PHE A 534
LEU A 506
None
1.41A 4kosA-2n3wA:
undetectable
4kosA-2n3wA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE


(Thermobacillus
xylanilyticus)
PF06964
(Alpha-L-AF_C)
5 TYR A 193
ASN A 177
ILE A 211
TYR A 125
LEU A 200
None
1.41A 4kosA-2vrkA:
undetectable
4kosA-2vrkA:
15.63
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE


(Arthrobacter
sp. KI72)
PF01425
(Amidase)
5 PRO A 427
ARG A 176
PHE A 308
ARG A 306
LEU A 309
None
1.37A 4kosA-3a2qA:
undetectable
4kosA-3a2qA:
17.26
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.
3c41 AMINO ACID ABC
TRANSPORTER (ARTP)


(Geobacillus
stearothermophilus)
PF00005
(ABC_tran)
5 PRO J  35
GLY J  39
ILE J  20
PHE J 208
ARG J 231
None
ANP  J 601 (-3.2A)
None
None
None
1.13A 4kosA-3c41J:
undetectable
4kosA-3c41J:
19.59
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.
3d1c FLAVIN-CONTAINING
PUTATIVE
MONOOXYGENASE


(Staphylococcus
aureus)
PF13738
(Pyr_redox_3)
5 PRO A  75
ASN A  59
ILE A  20
TYR A 100
LEU A  93
None
1.23A 4kosA-3d1cA:
undetectable
4kosA-3d1cA:
17.17
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.
3e03 SHORT CHAIN
DEHYDROGENASE


(Xanthomonas
campestris)
PF13561
(adh_short_C2)
5 ASN A  98
ILE A 102
TYR A 165
ARG A  73
LEU A 117
None
1.47A 4kosA-3e03A:
0.7
4kosA-3e03A:
18.98
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.
3ehc SNOAL-LIKE
POLYKETIDE CYCLASE


(Agrobacterium
fabrum)
PF07366
(SnoaL)
5 ARG A  36
ILE A 110
TYR A 103
ARG A  44
LEU A  23
SO4  A 130 (-3.7A)
None
None
None
None
1.38A 4kosA-3ehcA:
undetectable
4kosA-3ehcA:
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.
3fvb BACTERIOFERRITIN

(Brucella
abortus)
PF00210
(Ferritin)
5 PRO A  76
ARG A  78
GLY A  93
PHE A  16
TYR A 101
None
1.29A 4kosA-3fvbA:
undetectable
4kosA-3fvbA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE


(Yersinia
pseudotuberculosis)
PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C)
5 ASN A 227
MET A 226
ILE A 356
ARG A 216
LEU A 347
MG  A 501 ( 4.1A)
None
None
None
None
1.37A 4kosA-3iieA:
undetectable
4kosA-3iieA:
18.16
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.
3ik4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Herpetosiphon
aurantiacus)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 PRO A 324
GLY A 295
ILE A 293
PHE A 336
LEU A 343
None
1.05A 4kosA-3ik4A:
undetectable
4kosA-3ik4A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3irz URO-ADHERENCE FACTOR
A


(Staphylococcus
saprophyticus)
PF17210
(SdrD_B)
5 PRO A 729
GLY A 473
ILE A 476
TYR A 495
LEU A 734
None
1.28A 4kosA-3irzA:
undetectable
4kosA-3irzA:
17.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
PF00583
(Acetyltransf_1)
6 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
None
EDO  A 176 ( 4.8A)
1.26A 4kosA-3kkwA:
31.8
4kosA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
PF00583
(Acetyltransf_1)
5 CYH A  29
PRO A  31
ARG A  49
ASN A  80
PHE A  27
EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 ( 4.3A)
EDO  A 171 ( 4.5A)
1.41A 4kosA-3kkwA:
31.8
4kosA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
PF00583
(Acetyltransf_1)
12 CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
ILE A 115
PHE A 118
TYR A 128
ARG A 141
LEU A 151
EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
EDO  A 174 ( 4.8A)
None
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
0.44A 4kosA-3kkwA:
31.8
4kosA-3kkwA:
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.
3l7i TEICHOIC ACID
BIOSYNTHESIS PROTEIN
F


(Staphylococcus
epidermidis)
PF04464
(Glyphos_transf)
5 PRO A 665
ILE A 564
PHE A 638
TYR A 543
LEU A 677
None
1.50A 4kosA-3l7iA:
undetectable
4kosA-3l7iA:
12.20
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA


(Archaeoglobus
fulgidus)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
5 PRO A 102
GLY A 134
ILE A 137
PHE A 160
LEU A 115
None
SRM  A 580 (-4.1A)
None
None
None
1.06A 4kosA-3mm5A:
undetectable
4kosA-3mm5A:
16.50
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.
3rh2 HYPOTHETICAL
TETR-LIKE
TRANSCRIPTIONAL
REGULATOR


(Shewanella
amazonensis)
PF00440
(TetR_N)
PF13972
(TetR)
5 TYR A  96
GLY A 156
MET A 153
PHE A  65
LEU A  61
None
UNL  A 301 ( 4.7A)
None
UNL  A 301 ( 4.2A)
None
1.47A 4kosA-3rh2A:
0.9
4kosA-3rh2A:
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens)
PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N)
5 CYH A 205
TYR A 233
GLY A 207
ILE A 246
TYR A  79
None
None
None
None
DSH  A 303 ( 4.9A)
1.29A 4kosA-3rw9A:
undetectable
4kosA-3rw9A:
19.75
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE


(Cannabis sativa)
PF01565
(FAD_binding_4)
PF08031
(BBE)
5 GLY A 188
ASN A 483
ILE A 431
PHE A 511
LEU A 518
None
FAD  A 607 (-3.3A)
None
None
None
1.12A 4kosA-3vteA:
undetectable
4kosA-3vteA:
14.15
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.
3wp5 CDBFV

(Neocallimastix
patriciarum)
PF00457
(Glyco_hydro_11)
5 ARG A  61
TYR A 100
GLY A 101
PHE A 159
ARG A 148
None
1.40A 4kosA-3wp5A:
undetectable
4kosA-3wp5A:
16.44
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.
4a3r ENOLASE

(Bacillus
subtilis)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 GLY A 392
ASN A 148
MET A 147
ILE A 389
LEU A 337
None
1.06A 4kosA-4a3rA:
undetectable
4kosA-4a3rA:
15.90
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis)
PF00141
(peroxidase)
5 PRO A 432
TYR A 426
GLY A 184
ILE A 416
PHE A 181
None
0.91A 4kosA-4c51A:
undetectable
4kosA-4c51A:
12.98
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.
4cok PYRUVATE
DECARBOXYLASE


(Gluconacetobacter
diazotrophicus)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 PRO A 426
TYR A  60
GLY A 420
ASN A 421
ILE A  45
None
1.28A 4kosA-4cokA:
undetectable
4kosA-4cokA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME


(Bacillus
licheniformis)
PF01547
(SBP_bac_1)
5 GLY A 143
ILE A 303
PHE A 196
TYR A 372
LEU A 200
None
None
None
GLA  A 503 (-3.6A)
None
1.23A 4kosA-4rk9A:
undetectable
4kosA-4rk9A:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqv ALGM1

(Sphingomonas
sp.)
PF00528
(BPD_transp_1)
5 PRO A 112
GLY A 104
ILE A 253
PHE A 111
LEU A 246
None
1.47A 4kosA-4tqvA:
undetectable
4kosA-4tqvA:
18.60
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.
5avo HOMOSERINE
DEHYDROGENASE


(Sulfurisphaera
tokodaii)
PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3)
5 ARG A 140
GLY A 124
ILE A  97
PHE A 109
TYR A  87
None
1.38A 4kosA-5avoA:
undetectable
4kosA-5avoA:
19.00
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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 PRO A 352
TYR A 349
GLY A 434
ILE A 304
PHE A 356
None
1.24A 4kosA-5eb5A:
undetectable
4kosA-5eb5A:
16.22
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.
5es6 LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A


(Brevibacillus
parabrevis)
PF00501
(AMP-binding)
PF00551
(Formyl_trans_N)
5 CYH A 486
ARG A 562
GLY A 539
TYR A 347
ARG A 510
None
1.45A 4kosA-5es6A:
undetectable
4kosA-5es6A:
13.56
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.
5es9 LINEAR GRAMICIDIN
SYNTHETASE SUBUNIT A


(Brevibacillus
parabrevis)
PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00551
(Formyl_trans_N)
PF13193
(AMP-binding_C)
5 CYH A 486
ARG A 562
GLY A 539
TYR A 347
ARG A 510
None
1.47A 4kosA-5es9A:
undetectable
4kosA-5es9A:
13.40
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.
5fn4 NICASTRIN

(Homo sapiens)
PF05450
(Nicastrin)
5 ARG A 117
TYR A  94
GLY A  89
PHE A 210
LEU A 212
None
1.02A 4kosA-5fn4A:
undetectable
4kosA-5fn4A:
12.72
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.
5fxe EUGENOL OXIDASE

(Rhodococcus
jostii)
PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C)
5 PRO A   6
ARG A 520
GLY A  77
ILE A  72
PHE A  14
None
1.44A 4kosA-5fxeA:
3.3
4kosA-5fxeA:
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli)
PF01204
(Trehalase)
5 PRO A  31
GLY A  55
PHE A  33
TYR A 195
LEU A  59
None
1.30A 4kosA-5gw7A:
undetectable
4kosA-5gw7A:
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.
5j04 ENOLASE

(Synechococcus
elongatus)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 GLY A 392
ASN A 152
MET A 151
ILE A 389
LEU A 337
None
1.03A 4kosA-5j04A:
undetectable
4kosA-5j04A:
17.18
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.
5jnf LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A


(Brevibacillus
parabrevis)
no annotation 5 CYH C 486
ARG C 562
GLY C 539
TYR C 347
ARG C 510
None
1.47A 4kosA-5jnfC:
undetectable
4kosA-5jnfC:
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE


(Porphyromonas
gingivalis)
PF10459
(Peptidase_S46)
5 TYR A 464
GLY A 400
ILE A 402
ARG A 393
LEU A 538
None
1.20A 4kosA-5jwfA:
undetectable
4kosA-5jwfA:
13.92
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.
5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1


(Leeuwenhoekiella
blandensis)
no annotation 5 ASN A 278
MET A 283
ILE A 159
PHE A 140
LEU A 210
None
1.39A 4kosA-5olkA:
0.5
4kosA-5olkA:
20.37
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.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
no annotation 5 GLY B 155
ASN B 157
ILE B 153
PHE B 363
ARG B 357
None
1.42A 4kosA-5txrB:
undetectable
4kosA-5txrB:
16.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794


(Pseudomonas
aeruginosa)
PF00583
(Acetyltransf_1)
6 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
None
93M  A 207 (-4.9A)
1.25A 4kosA-5vdbA:
31.8
4kosA-5vdbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794


(Pseudomonas
aeruginosa)
PF00583
(Acetyltransf_1)
12 CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
ILE A 115
PHE A 118
TYR A 128
ARG A 141
LEU A 151
93M  A 207 (-4.6A)
93M  A 207 (-4.0A)
93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
93M  A 207 (-4.9A)
None
None
93M  A 207 (-4.9A)
SO4  A 206 (-3.0A)
93M  A 207 (-4.6A)
0.33A 4kosA-5vdbA:
31.8
4kosA-5vdbA:
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.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus)
PF01261
(AP_endonuc_2)
5 CYH A 306
GLY A 261
ILE A 312
PHE A  11
ARG A 284
None
1.49A 4kosA-5y4jA:
undetectable
4kosA-5y4jA:
18.23