SIMILAR PATTERNS OF AMINO ACIDS FOR 3KKZ_A_SAMA301

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.
1a5c FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Plasmodium
falciparum) 		PF00274
(Glycolytic) 		5 GLY A 280
LEU A 277
GLU A 283
ALA A 286
ASN A 289
 None
 1.10A 3kkzA-1a5cA:
undetectable		 3kkzA-1a5cA:
22.40
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.
1ae9 LAMBDA INTEGRASE

(Escherichia
virus Lambda) 		PF00589
(Phage_integrase) 		5 GLY A 210
LEU A 331
LEU A 317
SER A 312
ALA A 206
 None
 1.16A 3kkzA-1ae9A:
undetectable		 3kkzA-1ae9A:
22.50
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.
1fba FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Drosophila
melanogaster) 		PF00274
(Glycolytic) 		5 GLY A 273
LEU A 270
GLU A 276
ALA A 279
ASN A 282
 None
 1.09A 3kkzA-1fbaA:
undetectable		 3kkzA-1fbaA:
21.80
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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		5 ARG A 301
GLY A  86
GLN A 273
LEU A  30
GLU A  93
 None
 1.16A 3kkzA-1fhuA:
undetectable		 3kkzA-1fhuA:
19.89
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.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli) 		PF00701
(DHDPS) 		5 GLY A  49
GLY A  45
GLN A  54
LEU A  13
SER A 208
 None
 1.11A 3kkzA-1hl2A:
undetectable		 3kkzA-1hl2A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsx GLUCOSE-INHIBITED
DIVISION PROTEIN B

(Escherichia
coli) 		PF02527
(GidB) 		5 GLY A  73
GLY A  75
LEU A  95
LEU A  98
ALA A 140
 None
 0.43A 3kkzA-1jsxA:
13.7		 3kkzA-1jsxA:
21.11
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 GLN A 451
GLY A 448
GLY A 450
PHE A  74
ASN A 113
 None
 1.14A 3kkzA-1k1dA:
undetectable		 3kkzA-1k1dA:
21.52
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.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 GLY A 587
GLY A 585
PHE A 607
GLU A 582
ALA A 603
 None
 0.98A 3kkzA-1mhsA:
undetectable		 3kkzA-1mhsA:
14.77
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.
1mzv ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
tarentolae) 		PF00156
(Pribosyltran) 		5 ARG A 102
GLY A  83
GLY A  78
LEU A 144
SER A 174
 None
 1.16A 3kkzA-1mzvA:
2.9		 3kkzA-1mzvA:
22.74
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		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 GLN A 767
GLY A 795
GLY A 797
LEU A 744
GLU A1037
 MOS  A3004 (-3.8A)
None
MTE  A3003 (-3.3A)
FES  A3001 (-4.0A)
None
 1.06A 3kkzA-1n5xA:
undetectable		 3kkzA-1n5xA:
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.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  79
GLY A  81
GLN A  86
PHE A 102
LEU A 103
 SAH  A2002 (-4.0A)
SAH  A2002 (-3.0A)
SAH  A2002 ( 4.2A)
SAH  A2002 (-4.4A)
SAH  A2002 (-3.9A)
 0.60A 3kkzA-1n7jA:
13.9		 3kkzA-1n7jA:
19.40
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.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 GLY K  35
GLY K 212
SER K 198
GLU K  32
ALA K 208
 None
 0.82A 3kkzA-1oxxK:
undetectable		 3kkzA-1oxxK:
21.67
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.
1qcd ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
donovani) 		PF00156
(Pribosyltran) 		5 ARG A 102
GLY A  83
GLY A  78
LEU A 144
SER A 174
 None
 1.17A 3kkzA-1qcdA:
2.6		 3kkzA-1qcdA:
23.97
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		5 GLY A 193
GLY A  65
LEU A 192
ALA A 197
ASN A 198
 None
None
EDO  A2780 (-4.8A)
None
None
 1.09A 3kkzA-1qguA:
2.7		 3kkzA-1qguA:
20.99
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 GLY A 292
GLY A 288
LEU A 293
LEU A 243
ALA A 267
 None
 1.14A 3kkzA-1u7gA:
undetectable		 3kkzA-1u7gA:
20.05
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.
1us4 PUTATIVE GLUR0
LIGAND BINDING CORE

(Thermus
thermophilus) 		PF16868
(NMT1_3) 		5 GLN A  78
GLY A 140
GLY A 142
ALA A  62
ASN A  65
 GLU  A1313 (-3.7A)
None
GLU  A1313 (-3.5A)
None
None
 1.07A 3kkzA-1us4A:
undetectable		 3kkzA-1us4A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9s URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF14681
(UPRTase) 		5 GLY A  86
LEU A  88
LEU A  81
GLU A  34
ALA A  36
 None
 1.14A 3kkzA-1v9sA:
3.3		 3kkzA-1v9sA:
22.96
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.
1wl7 ARABINANASE-TS

(Geobacillus
thermodenitrificans) 		PF04616
(Glyco_hydro_43) 		5 GLY A 268
GLY A 262
SER A 217
ALA A 287
ASN A 285
 None
 1.14A 3kkzA-1wl7A:
undetectable		 3kkzA-1wl7A:
22.81
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 GLY A 161
GLY A 321
LEU A 319
ALA A 130
ASN A  43
 SO4  A 329 (-3.3A)
None
None
SO4  A 329 ( 4.2A)
SO4  A 329 (-4.7A)
 0.96A 3kkzA-1xa0A:
6.8		 3kkzA-1xa0A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfb ALDOLASE C

(Homo sapiens) 		PF00274
(Glycolytic) 		5 GLY A 274
LEU A 271
GLU A 277
ALA A 280
ASN A 283
 None
 1.15A 3kkzA-1xfbA:
undetectable		 3kkzA-1xfbA:
19.95
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.
1xtp LMAJ004091AAA

(Leishmania
major) 		PF05891
(Methyltransf_PK) 		5 ARG A 106
GLY A 101
GLY A 103
LEU A 122
SER A 148
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
None
SAI  A 401 (-4.0A)
 0.72A 3kkzA-1xtpA:
15.5		 3kkzA-1xtpA:
20.92
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.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  63
GLY A  65
GLN A  70
PHE A  86
ALA A 165
 SAH  A4001 (-3.9A)
SAH  A4001 (-3.0A)
SAH  A4001 ( 4.4A)
SAH  A4001 (-4.6A)
SAH  A4001 (-3.4A)
 0.74A 3kkzA-2a14A:
13.7		 3kkzA-2a14A:
24.91
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.
2a7s PROBABLE
PROPIONYL-COA
CARBOXYLASE BETA
CHAIN 5

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 GLY A 152
GLY A 154
LEU A 124
ALA A 191
ASN A 150
 None
 1.10A 3kkzA-2a7sA:
undetectable		 3kkzA-2a7sA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c27 MYCOTHIOL SYNTHASE

(Mycobacterium
tuberculosis) 		PF00583
(Acetyltransf_1) 		5 GLY A 239
GLY A 219
LEU A 238
LEU A 249
ALA A 173
 COA  A1314 (-3.5A)
None
COA  A1314 (-4.5A)
COA  A1314 (-4.9A)
COA  A1314 (-4.1A)
 1.05A 3kkzA-2c27A:
undetectable		 3kkzA-2c27A:
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.
2ehd OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A 130
LEU A  82
LEU A 168
GLU A  78
ALA A 123
 None
 1.12A 3kkzA-2ehdA:
7.0		 3kkzA-2ehdA:
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
 None
 1.08A 3kkzA-2g28A:
undetectable		 3kkzA-2g28A:
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 173
GLY A 349
SER A 110
GLU A 355
ALA A 174
 None
 1.17A 3kkzA-2gp6A:
undetectable		 3kkzA-2gp6A:
21.15
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.
2h26 T-CELL SURFACE
GLYCOPROTEIN CD1B

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 ARG A 168
GLY A  56
GLY A 172
LEU A 174
GLU A  62
 NAG  A 908 (-3.9A)
None
NAG  A 908 ( 3.9A)
None
None
 1.04A 3kkzA-2h26A:
undetectable		 3kkzA-2h26A:
20.66
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.
2ior CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ARG A 142
GLY A  82
GLY A  84
SER A  40
GLU A  58
 None
None
ADP  A1000 ( 4.4A)
None
None
 1.15A 3kkzA-2iorA:
undetectable		 3kkzA-2iorA:
23.97
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.
2j1q ARGININE KINASE

(Trypanosoma
cruzi) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 GLY A 133
PHE A 259
LEU A 131
GLU A  73
ALA A  72
 None
 1.09A 3kkzA-2j1qA:
undetectable		 3kkzA-2j1qA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mjl PEPTIDYL-TRNA
HYDROLASE

(Vibrio cholerae) 		PF01195
(Pept_tRNA_hydro) 		5 GLY A  75
LEU A  65
PHE A  49
LEU A  73
ALA A  80
 None
 1.01A 3kkzA-2mjlA:
undetectable		 3kkzA-2mjlA:
20.36
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.
2o57 PUTATIVE SARCOSINE
DIMETHYLGLYCINE
METHYLTRANSFERASE

(Galdieria
sulphuraria) 		PF08241
(Methyltransf_11) 		5 GLY A  90
GLY A  92
LEU A 111
SER A 140
ALA A 159
 None
 0.65A 3kkzA-2o57A:
23.9		 3kkzA-2o57A:
23.46
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.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE

(Thermus
thermophilus) 		PF00701
(DHDPS) 		5 ARG A  52
GLY A  68
PHE A 122
LEU A  66
GLU A  71
 None
 1.12A 3kkzA-2pcqA:
undetectable		 3kkzA-2pcqA:
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.
2pnz PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ARG A  21
GLY A  48
SER A  85
GLU A 179
ALA A 134
 None
None
None
None
UDP  A 250 (-4.1A)
 1.10A 3kkzA-2pnzA:
undetectable		 3kkzA-2pnzA:
21.43
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 GLY A 212
GLY A 209
LEU A 216
GLU A 334
ALA A 112
 None
 0.92A 3kkzA-2qveA:
undetectable		 3kkzA-2qveA:
18.91
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLN B 197
GLY B 225
GLY B 227
LEU B 176
GLU B 487
 XAX  B1778 (-3.5A)
None
XAX  B1778 (-3.3A)
None
None
 1.07A 3kkzA-2w55B:
undetectable		 3kkzA-2w55B:
15.57
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 220
GLY A 238
PHE A 218
SER A 176
ALA A 186
 SF4  A 502 (-3.5A)
None
None
None
SF4  A 502 (-3.8A)
 1.14A 3kkzA-2xsjA:
undetectable		 3kkzA-2xsjA:
20.67
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.
3bv4 FRUCTOSE-BISPHOSPHAT
E ALDOLASE A

(Oryctolagus
cuniculus) 		PF00274
(Glycolytic) 		5 GLY A 273
LEU A 270
GLU A 276
ALA A 279
ASN A 282
 None
13P  A3371 (-3.8A)
None
None
None
 1.07A 3kkzA-3bv4A:
undetectable		 3kkzA-3bv4A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ci6 PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Acinetobacter
sp. ADP1) 		PF01590
(GAF) 		5 ARG A  85
GLY A  80
GLY A  83
LEU A  47
SER A  71
 None
 1.14A 3kkzA-3ci6A:
undetectable		 3kkzA-3ci6A:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		6 GLN A  26
GLY A  54
GLY A  56
GLN A  60
SER A 104
GLU A 121
 None
 0.78A 3kkzA-3f4kA:
36.3		 3kkzA-3f4kA:
63.18
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.
3h08 RNH (RIBONUCLEASE H)

(Chlorobaculum
tepidum) 		PF00075
(RNase_H) 		5 GLY A  23
GLY A  21
LEU A 137
GLU A  48
ALA A  51
 None
None
None
MG  A 501 (-4.7A)
None
 1.05A 3kkzA-3h08A:
undetectable		 3kkzA-3h08A:
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 GLY A 251
GLN A 161
LEU A 286
PHE A 211
ALA A 254
 None
 1.17A 3kkzA-3h7lA:
undetectable		 3kkzA-3h7lA:
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		5 ARG A 127
GLY A 125
LEU A 120
GLU A 106
ALA A 101
 None
 0.97A 3kkzA-3hdoA:
3.6		 3kkzA-3hdoA:
22.67
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLY A 400
LEU A 394
SER A 150
GLU A 384
ALA A 386
 None
 1.12A 3kkzA-3hpaA:
undetectable		 3kkzA-3hpaA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihk THIAMIN
PYROPHOSPHOKINASE

(Streptococcus
mutans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 GLY A  24
GLY A  28
LEU A   6
PHE A  22
ALA A  42
 None
 1.09A 3kkzA-3ihkA:
undetectable		 3kkzA-3ihkA:
20.22
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.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 5 GLY A 378
SER A 195
GLU A 159
ALA A 375
ASN A 204
 None
 1.10A 3kkzA-3j0hA:
undetectable		 3kkzA-3j0hA:
22.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		12 ARG A  25
GLN A  26
GLY A  54
GLY A  56
GLN A  60
LEU A  75
PHE A  77
LEU A  78
SER A 104
GLU A 121
ALA A 123
ASN A 126
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
None
None
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.1A)
None
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.0A)
 0.00A 3kkzA-3kkzA:
46.9		 3kkzA-3kkzA:
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.
3l8j PROGRAMMED CELL
DEATH PROTEIN 10

(Homo sapiens) 		PF06840
(DUF1241) 		5 GLN A 112
LEU A 103
LEU A 110
GLU A  89
ASN A 202
 None
 0.90A 3kkzA-3l8jA:
undetectable		 3kkzA-3l8jA:
21.80
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.
3l9r CD1B3

(Bos taurus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 ARG A 168
GLY A  56
GLY A 172
LEU A 174
GLU A  62
 NAG  A 501 ( 4.5A)
None
NAG  A 501 ( 4.1A)
None
NAG  A 501 ( 4.5A)
 0.96A 3kkzA-3l9rA:
undetectable		 3kkzA-3l9rA:
24.78
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.
3ll9 ISOPENTENYL
PHOSPHATE KINASE

(Methanothermobacter
thermautotrophicus) 		PF00696
(AA_kinase) 		5 GLY A 176
GLY A   7
LEU A 175
ALA A 242
ASN A 241
 None
ADP  A 267 (-3.1A)
None
None
None
 1.01A 3kkzA-3ll9A:
undetectable		 3kkzA-3ll9A:
22.83
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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 GLY A 182
GLY A 164
GLU A 192
ALA A 198
ASN A 199
 None
 0.93A 3kkzA-3mc1A:
undetectable		 3kkzA-3mc1A:
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY B 670
GLY B 580
LEU B 668
PHE B 675
ALA B 700
 None
 1.03A 3kkzA-3opyB:
undetectable		 3kkzA-3opyB:
14.88
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		5 GLY A 220
GLY A 238
PHE A 218
SER A 176
ALA A 186
 SF4  A 802 (-3.2A)
None
None
None
SF4  A 802 (-3.6A)
 1.14A 3kkzA-3or2A:
undetectable		 3kkzA-3or2A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qqz PUTATIVE
UNCHARACTERIZED
PROTEIN YJIK

(Escherichia
coli) 		PF06977
(SdiA-regulated) 		5 GLY A 296
GLY A 245
LEU A 100
LEU A 256
ALA A 294
 None
CA  A 327 ( 4.9A)
None
None
None
 1.13A 3kkzA-3qqzA:
undetectable		 3kkzA-3qqzA:
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.
3qw4 UMP SYNTHASE

(Leishmania
donovani) 		PF00156
(Pribosyltran)
PF00215
(OMPdecase) 		5 GLY B  62
GLY B  59
LEU B  66
PHE B  54
ALA B  27
 None
 1.09A 3kkzA-3qw4B:
undetectable		 3kkzA-3qw4B:
22.04
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLN C 767
GLY C 795
GLY C 797
LEU C 744
GLU C1037
 RMO  C1317 (-3.6A)
None
MTE  C1316 (-3.5A)
None
None
 1.09A 3kkzA-3sr6C:
undetectable		 3kkzA-3sr6C:
16.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		9 ARG A  25
GLY A  54
GLY A  56
GLN A  60
PHE A  77
SER A 104
GLU A 121
ALA A 123
ASN A 126
 SAM  A 300 (-4.0A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.4A)
SAM  A 300 (-3.4A)
SAM  A 300 (-4.7A)
SAM  A 300 (-2.8A)
None
SAM  A 300 (-3.6A)
SAM  A 300 (-3.1A)
 0.40A 3kkzA-3t7sA:
39.9		 3kkzA-3t7sA:
69.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 GLY A 276
GLY A 272
LEU A 263
ALA A 277
ASN A 278
 None
 1.17A 3kkzA-3tbhA:
3.1		 3kkzA-3tbhA:
23.53
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.
3tej ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00550
(PP-binding)
PF00975
(Thioesterase) 		5 GLY A1136
GLY A1162
LEU A1238
SER A1138
ALA A1144
 None
None
None
UF0  A1006 ( 2.5A)
None
 1.15A 3kkzA-3tejA:
2.8		 3kkzA-3tejA:
21.60
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		5 GLN A  38
GLY A  52
PHE A  55
LEU A  48
ALA A  35
 None
 0.88A 3kkzA-3u7vA:
undetectable		 3kkzA-3u7vA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		5 GLY A 139
GLY A 179
LEU A 215
LEU A 181
ALA A 146
 None
 0.96A 3kkzA-3uugA:
2.4		 3kkzA-3uugA:
23.53
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.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 GLN A 400
GLY A 401
SER A 392
GLU A 407
ALA A 488
 None
 1.10A 3kkzA-4bc7A:
undetectable		 3kkzA-4bc7A:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9

(Homo sapiens) 		PF11979
(DUF3480) 		5 ARG A1095
GLY A1031
GLN A1060
SER A1021
GLU A1063
 None
 0.94A 3kkzA-4bkwA:
undetectable		 3kkzA-4bkwA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1n CARBON MONOXIDE
DEHYDROGENASE
CORRINOID/IRON-SULFU
R PROTEIN, GAMMA
SUBUNIT
IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans;
Carboxydothermus
hydrogenoformans) 		PF03599
(CdhD)
PF04060
(FeS)
PF14574
(DUF4445) 		5 GLY I 400
LEU A 373
GLU I 404
ALA I 402
ASN I 509
 B12  I1631 ( 3.8A)
B12  I1631 (-4.1A)
None
None
B12  I1631 (-4.2A)
 1.14A 3kkzA-4c1nI:
undetectable		 3kkzA-4c1nI:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLN A 121
GLY A 120
LEU A 161
GLU A 168
ALA A 169
 None
 1.16A 3kkzA-4c7vA:
undetectable		 3kkzA-4c7vA:
16.69
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.
4d2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Toxoplasma
gondii) 		PF00274
(Glycolytic) 		5 GLY A 345
LEU A 342
GLU A 348
ALA A 351
ASN A 354
 None
 1.14A 3kkzA-4d2jA:
undetectable		 3kkzA-4d2jA:
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.
4d61 EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT
ERF3A

(Homo sapiens) 		PF01201
(Ribosomal_S8e) 		6 GLY i 395
GLY i 392
LEU i 226
PHE i 413
ALA i 396
ASN i 397
 None
 1.46A 3kkzA-4d61i:
undetectable		 3kkzA-4d61i:
20.36
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.
4dt4 FKBP-TYPE 16 KDA
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 GLN A 132
GLY A  72
GLY A 131
GLU A  66
ALA A  70
 None
 1.11A 3kkzA-4dt4A:
undetectable		 3kkzA-4dt4A:
21.45
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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		5 GLY A 220
LEU A 155
LEU A 217
GLU A 225
ALA A 227
 None
 0.98A 3kkzA-4e1eA:
undetectable		 3kkzA-4e1eA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 GLY A 310
GLY A 314
LEU A 316
SER A 149
GLU A  58
 None
 1.13A 3kkzA-4evqA:
2.5		 3kkzA-4evqA:
18.80
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A 188
GLN A 185
LEU A 190
PHE A 196
ALA A 201
 None
 1.13A 3kkzA-4iv8A:
22.7		 3kkzA-4iv8A:
25.81
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.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		5 GLN B 246
GLY B  88
GLY B 220
LEU B 212
ALA B  91
 None
LLP  B 210 ( 3.3A)
None
None
None
 0.94A 3kkzA-4iyoB:
undetectable		 3kkzA-4iyoB:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6f PUTATIVE ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 195
GLY A 352
LEU A 354
ALA A 168
ASN A  51
 None
 1.16A 3kkzA-4j6fA:
6.7		 3kkzA-4j6fA:
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		5 ARG A  85
GLY A 100
GLY A  89
ALA A 211
ASN A 207
 None
 0.80A 3kkzA-4kvlA:
undetectable		 3kkzA-4kvlA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		5 GLY A  59
GLY A  56
LEU A  61
LEU A  92
ALA A  18
 None
None
PEG  A 212 ( 3.7A)
None
None
 1.16A 3kkzA-4mesA:
undetectable		 3kkzA-4mesA:
20.71
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.
4mjz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Toxoplasma
gondii) 		PF00215
(OMPdecase) 		5 GLY A  92
GLY A  89
LEU A  96
PHE A  84
ALA A  57
 None
 1.04A 3kkzA-4mjzA:
undetectable		 3kkzA-4mjzA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		5 ARG A 206
GLY A 208
GLN A  34
LEU A 182
ALA A 175
 None
 1.01A 3kkzA-4rasA:
undetectable		 3kkzA-4rasA:
17.14
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.
4uhm OMEGA AMINO
ACID-PYRUVATE
AMINOTRANSFERASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 GLN A 243
GLY A 201
GLY A 240
ALA A 205
ASN A 206
 None
None
EOH  A1452 (-4.0A)
None
None
 1.14A 3kkzA-4uhmA:
undetectable		 3kkzA-4uhmA:
23.12
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.
4wen K88 FIMBRIAL PROTEIN
AC
ANTI-F4+ETEC
BACTERIA VHH
VARIABLE REGION

(Escherichia
coli;
Lama glama) 		PF02432
(Fimbrial_K88)
PF07686
(V-set) 		5 ARG A  64
GLY A 183
LEU B 904
LEU A 181
ALA B 833
 None
 1.09A 3kkzA-4wenA:
undetectable		 3kkzA-4wenA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wh3 N-ACETYLHEXOSAMINE
1-KINASE

(Bifidobacterium
longum) 		PF01636
(APH) 		5 ARG A 246
GLN A 333
SER A 260
GLU A 254
ALA A 252
 GOL  A 406 (-4.0A)
None
None
None
None
 1.13A 3kkzA-4wh3A:
undetectable		 3kkzA-4wh3A:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 GLY A 194
GLY A  66
LEU A 193
ALA A 198
ASN A 199
 None
 1.15A 3kkzA-4wzbA:
2.1		 3kkzA-4wzbA:
21.46
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.
4xdi CHLAMYDOMONAS
REINHARDTII THB1

(Chlamydomonas
reinhardtii) 		PF01152
(Bac_globin) 		5 ARG A  14
LEU A 105
SER A 100
GLU A 114
ALA A 115
 None
 1.14A 3kkzA-4xdiA:
undetectable		 3kkzA-4xdiA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		6 ARG A 358
GLY A  40
GLY A  12
LEU A  39
SER A 205
ALA A  43
 FDA  A 403 (-3.8A)
None
FDA  A 403 (-3.3A)
None
None
FDA  A 403 ( 4.5A)
 1.50A 3kkzA-4xgkA:
undetectable		 3kkzA-4xgkA:
21.85
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		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 GLN A 767
GLY A 795
GLY A 797
LEU A 744
GLU A1037
 None
None
None
FES  A3001 ( 4.0A)
None
 1.02A 3kkzA-4yswA:
undetectable		 3kkzA-4yswA:
11.71
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.
4yub NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		no annotation 5 GLN A 262
GLY A 260
LEU A 257
GLU A 251
ASN A 299
 None
 0.85A 3kkzA-4yubA:
undetectable		 3kkzA-4yubA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 138
GLY A 162
LEU A  78
LEU A  54
ALA A 282
 None
 1.08A 3kkzA-5bqsA:
undetectable		 3kkzA-5bqsA:
20.69
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLY A 972
GLY A 883
LEU A 974
GLU A 886
ALA A 966
 None
 0.72A 3kkzA-5ihrA:
undetectable		 3kkzA-5ihrA:
14.91
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 ARG A 647
GLY A 593
LEU A 589
SER A 413
GLU A 403
 None
 0.91A 3kkzA-5ijlA:
undetectable		 3kkzA-5ijlA:
13.18
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.
5j0n INTEGRASE

(Escherichia
virus Lambda) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		5 GLY E 210
LEU E 331
LEU E 317
SER E 312
ALA E 206
 None
 1.13A 3kkzA-5j0nE:
undetectable		 3kkzA-5j0nE:
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.
5koj NITROGENASE PROTEIN
ALPHA CHAIN

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro) 		5 GLY A 210
GLY A  82
LEU A 209
ALA A 214
ASN A 215
 None
 1.09A 3kkzA-5kojA:
2.0		 3kkzA-5kojA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o71 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 25

(Homo sapiens) 		no annotation 5 GLY A 234
LEU A 685
PHE A 229
LEU A 232
GLU A 679
 None
 0.84A 3kkzA-5o71A:
undetectable		 3kkzA-5o71A:
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.
5oa3 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2D

(Homo sapiens) 		no annotation 5 GLY 0 165
GLY 0 163
LEU 0 112
LEU 0 161
ALA 0 150
 None
C  1  75 ( 4.8A)
None
None
None
 1.15A 3kkzA-5oa30:
undetectable		 3kkzA-5oa30:
16.10
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 ARG A 560
GLY A 601
GLY A 562
SER A 598
GLU A 298
 None
 1.07A 3kkzA-5ta1A:
undetectable		 3kkzA-5ta1A:
17.50
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.
5tj5 V-TYPE PROTON ATPASE
SUBUNIT C

(Saccharomyces
cerevisiae) 		PF00137
(ATP-synt_C) 		5 GLY E 105
GLY E  31
LEU E 102
GLU E 137
ALA E 107
 None
 1.12A 3kkzA-5tj5E:
undetectable		 3kkzA-5tj5E:
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.
5tj5 V-TYPE PROTON ATPASE
SUBUNIT C'

(Saccharomyces
cerevisiae) 		PF00137
(ATP-synt_C) 		5 GLY D 113
GLY D  37
LEU D 110
GLU D 145
ALA D 115
 None
 1.11A 3kkzA-5tj5D:
undetectable		 3kkzA-5tj5D:
19.22
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.
5u8e ARGININE KINASE

(Polybetes
pythagoricus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 GLY A 133
PHE A 259
LEU A 131
GLU A  73
ALA A  72
 None
 1.17A 3kkzA-5u8eA:
undetectable		 3kkzA-5u8eA:
24.18
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.
5vn4 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE

(Trypanosoma
brucei) 		PF00156
(Pribosyltran) 		5 ARG A 102
GLY A  83
GLY A  78
LEU A  86
LEU A 144
 None
 1.15A 3kkzA-5vn4A:
2.2		 3kkzA-5vn4A:
22.54
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.
5xd2 NUDIX FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		5 GLY A  28
GLY A  66
LEU A  63
GLU A  74
ALA A  78
 None
5FA  A 401 (-3.4A)
None
GOL  A 403 ( 4.5A)
None
 1.16A 3kkzA-5xd2A:
undetectable		 3kkzA-5xd2A:
21.14
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 GLN A 433
GLY A 453
LEU A 460
LEU A 451
ALA A 405
 None
 0.96A 3kkzA-5xpgA:
undetectable		 3kkzA-5xpgA:
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.
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1

(Homo sapiens) 		no annotation 5 ARG A 517
GLY A 494
GLY A 492
LEU A 489
ALA A 497
 None
 1.17A 3kkzA-6bfnA:
undetectable		 3kkzA-6bfnA:
undetectable