SIMILAR PATTERNS OF AMINO ACIDS FOR 1KNY_B_KANB559_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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 SER B  58
ASP B 103
GLU B  65
GLU B  64
 None
 1.10A 1knyA-1e9yB:
0.0
1knyB-1e9yB:
0.0		 1knyA-1e9yB:
17.83
1knyB-1e9yB:
17.83
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.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)

(Agrobacterium
tumefaciens) 		PF00561
(Abhydrolase_1) 		4 LYS A  47
GLU A 194
SER A 184
GLU A 280
 None
 1.15A 1knyA-1ehyA:
0.0
1knyB-1ehyA:
0.0		 1knyA-1ehyA:
20.88
1knyB-1ehyA:
20.88
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.
1g0i INOSITOL
MONOPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF00459
(Inositol_P) 		4 GLU A  66
GLU A  65
SER A  28
GLU A  41
 None
MN  A 291 (-2.1A)
None
None
 1.11A 1knyA-1g0iA:
0.0
1knyB-1g0iA:
0.0		 1knyA-1g0iA:
24.40
1knyB-1g0iA:
24.40
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		4 GLU A 393
SER A 451
ASP A  39
GLU A 456
 None
None
None
CA  A1495 ( 4.3A)
 1.18A 1knyA-1hcuA:
0.0
1knyB-1hcuA:
1.1		 1knyA-1hcuA:
19.68
1knyB-1hcuA:
19.68
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.
1i17 PRION-LIKE PROTEIN

(Mus musculus) 		PF00377
(Prion) 		4 LYS A  12
SER A  78
ASP A  77
GLU A  74
 None
 0.92A 1knyA-1i17A:
undetectable
1knyB-1i17A:
0.0		 1knyA-1i17A:
20.56
1knyB-1i17A:
20.56
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.
1i17 PRION-LIKE PROTEIN

(Mus musculus) 		PF00377
(Prion) 		4 SER A  78
ASP A  77
GLU A  74
GLU A  70
 None
 1.15A 1knyA-1i17A:
undetectable
1knyB-1i17A:
0.0		 1knyA-1i17A:
20.56
1knyB-1i17A:
20.56
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.
1m5y SURVIVAL PROTEIN
SURA

(Escherichia
coli) 		PF00639
(Rotamase)
PF09312
(SurA_N)
PF13616
(Rotamase_3) 		4 GLU A 416
SER A 261
GLU A 408
GLU A 409
 None
 1.13A 1knyA-1m5yA:
0.0
1knyB-1m5yA:
undetectable		 1knyA-1m5yA:
20.19
1knyB-1m5yA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r66 TDP-GLUCOSE-4,6-DEHY
DRATASE

(Streptomyces
venezuelae) 		PF16363
(GDP_Man_Dehyd) 		4 SER A 138
ASP A 284
GLU A 247
GLU A 216
 None
 0.90A 1knyA-1r66A:
0.0
1knyB-1r66A:
0.0		 1knyA-1r66A:
22.38
1knyB-1r66A:
22.38
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		4 GLU A 273
SER A  89
GLU A 245
GLU A 249
 None
 1.03A 1knyA-1t3iA:
0.0
1knyB-1t3iA:
0.0		 1knyA-1t3iA:
20.88
1knyB-1t3iA:
20.88
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.
1w66 LIPOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03099
(BPL_LplA_LipB) 		4 GLU A  60
SER A 179
ASP A 180
GLU A  63
 None
 1.05A 1knyA-1w66A:
undetectable
1knyB-1w66A:
undetectable		 1knyA-1w66A:
19.24
1knyB-1w66A:
19.24
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 GLU A 203
SER A 190
ASP A 210
GLU A 166
 None
 1.00A 1knyA-1wn1A:
undetectable
1knyB-1wn1A:
undetectable		 1knyA-1wn1A:
21.14
1knyB-1wn1A:
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.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		4 GLU A 133
SER A 242
ASP A 180
GLU A 216
 None
 0.90A 1knyA-1xfuA:
3.4
1knyB-1xfuA:
3.5		 1knyA-1xfuA:
15.75
1knyB-1xfuA:
15.75
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		4 GLU A 475
SER A 367
ASP A 368
GLU A 432
 GOL  A 706 ( 3.1A)
None
None
CAC  A 705 (-3.1A)
 1.16A 1knyA-2i0kA:
undetectable
1knyB-2i0kA:
undetectable		 1knyA-2i0kA:
17.26
1knyB-2i0kA:
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		4 GLU A  86
GLU A  84
ASP A 297
GLU A 164
 K  A 511 (-2.6A)
None
None
ZN  A 501 ( 2.3A)
 1.16A 1knyA-2i2xA:
undetectable
1knyB-2i2xA:
undetectable		 1knyA-2i2xA:
19.35
1knyB-2i2xA:
19.35
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.
2if4 ATFKBP42

(Arabidopsis
thaliana) 		PF00254
(FKBP_C)
PF13181
(TPR_8) 		4 ASP A 223
GLU A 259
GLU A 260
GLU A 261
 None
 1.13A 1knyA-2if4A:
undetectable
1knyB-2if4A:
2.0		 1knyA-2if4A:
21.01
1knyB-2if4A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 GLU A 361
SER A 415
ASP A 418
GLU A 394
 None
 1.13A 1knyA-2iopA:
undetectable
1knyB-2iopA:
undetectable		 1knyA-2iopA:
17.17
1knyB-2iopA:
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.
2j5c 1,8-CINEOLE SYNTHASE

(Salvia
fruticosa) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 149
ASP A 146
GLU A 110
GLU A 102
 None
 1.15A 1knyA-2j5cA:
undetectable
1knyB-2j5cA:
undetectable		 1knyA-2j5cA:
18.66
1knyB-2j5cA:
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.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 GLU A  76
SER A 132
GLU A 169
GLU A 231
 None
 1.13A 1knyA-2owoA:
undetectable
1knyB-2owoA:
2.1		 1knyA-2owoA:
15.60
1knyB-2owoA:
15.60
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.
2oz8 MLL7089 PROTEIN

(Mesorhizobium
japonicum) 		PF13378
(MR_MLE_C) 		4 GLU A 315
LYS A 163
GLU A 249
GLU A 222
 None
 1.08A 1knyA-2oz8A:
undetectable
1knyB-2oz8A:
undetectable		 1knyA-2oz8A:
21.96
1knyB-2oz8A:
21.96
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.
2q5z HYPOTHETICAL PROTEIN

(Vibrio sp.
DAT722) 		PF03819
(MazG) 		4 GLU A  33
ASP A  14
GLU A  30
GLU A  57
 MG  A 501 (-3.2A)
GOL  A 601 (-3.1A)
MG  A 501 (-3.0A)
None
 1.17A 1knyA-2q5zA:
undetectable
1knyB-2q5zA:
undetectable		 1knyA-2q5zA:
17.79
1knyB-2q5zA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q74 INOSITOL-1-MONOPHOSP
HATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		4 GLU A  84
GLU A  64
ASP A  54
GLU A  83
 None
 1.14A 1knyA-2q74A:
undetectable
1knyB-2q74A:
undetectable		 1knyA-2q74A:
19.24
1knyB-2q74A:
19.24
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.
2qyv XAA-HIS DIPEPTIDASE

(Histophilus
somni) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 175
LYS A 427
GLU A 425
GLU A 172
 None
 1.03A 1knyA-2qyvA:
undetectable
1knyB-2qyvA:
undetectable		 1knyA-2qyvA:
20.98
1knyB-2qyvA:
20.98
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.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E

(Penicillium
citrinum) 		PF01532
(Glyco_hydro_47) 		4 GLU A1472
GLU A1502
ASP A1375
GLU A1409
 GOL  A1901 (-2.7A)
GOL  A1901 (-3.3A)
None
None
 1.18A 1knyA-2ri8A:
undetectable
1knyB-2ri8A:
undetectable		 1knyA-2ri8A:
19.91
1knyB-2ri8A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wry INTERLEUKIN-1BETA

(Gallus gallus) 		PF00340
(IL1) 		4 SER A 102
ASP A 101
GLU A 104
GLU A  92
 None
 1.11A 1knyA-2wryA:
undetectable
1knyB-2wryA:
undetectable		 1knyA-2wryA:
21.88
1knyB-2wryA:
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.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 SER A 779
ASP A 778
GLU A 736
GLU A 737
 None
 1.07A 1knyA-2x0sA:
2.4
1knyB-2x0sA:
undetectable		 1knyA-2x0sA:
14.08
1knyB-2x0sA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xec PUTATIVE MALEATE
ISOMERASE

(Nocardia
farcinica) 		no annotation 4 GLU A 204
SER A 246
ASP A 245
GLU A 207
 None
 1.17A 1knyA-2xecA:
undetectable
1knyB-2xecA:
undetectable		 1knyA-2xecA:
21.53
1knyB-2xecA:
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.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		4 LYS A   4
GLU A  39
GLU A 136
GLU A 276
 None
 1.13A 1knyA-2xheA:
undetectable
1knyB-2xheA:
undetectable		 1knyA-2xheA:
16.80
1knyB-2xheA:
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.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		4 GLU A 300
SER A 335
ASP A 334
GLU A 337
 None
 0.97A 1knyA-2xszA:
undetectable
1knyB-2xszA:
undetectable		 1knyA-2xszA:
21.49
1knyB-2xszA:
21.49
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.
3agb RED CHLOROPHYLL
CATABOLITE
REDUCTASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF06405
(RCC_reductase) 		4 GLU A 231
SER A  59
GLU A 232
GLU A 236
 None
 1.10A 1knyA-3agbA:
undetectable
1knyB-3agbA:
undetectable		 1knyA-3agbA:
20.71
1knyB-3agbA:
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.
3ccq 50S RIBOSOMAL
PROTEIN L4P

(Haloarcula
marismortui) 		PF00573
(Ribosomal_L4) 		4 SER C 197
ASP C 198
GLU C 242
GLU C 245
 None
 1.08A 1knyA-3ccqC:
undetectable
1knyB-3ccqC:
undetectable		 1knyA-3ccqC:
21.82
1knyB-3ccqC:
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.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 GLU A 132
ASP A 212
GLU A 177
GLU A  52
 ONL  A 800 (-4.8A)
None
ONL  A 800 (-3.4A)
None
 1.15A 1knyA-3dlaA:
undetectable
1knyB-3dlaA:
undetectable		 1knyA-3dlaA:
15.97
1knyB-3dlaA:
15.97
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 GLU A 289
LYS A 329
SER A 440
ASP A 439
 None
PRO  A   1 (-2.8A)
None
None
 1.18A 1knyA-3e2sA:
undetectable
1knyB-3e2sA:
undetectable		 1knyA-3e2sA:
18.61
1knyB-3e2sA:
18.61
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.
3e3a POSSIBLE PEROXIDASE
BPOC

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		4 GLU A 247
SER A 152
ASP A 210
GLU A 244
 None
 1.09A 1knyA-3e3aA:
undetectable
1knyB-3e3aA:
undetectable		 1knyA-3e3aA:
22.48
1knyB-3e3aA:
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.
3ebw PER A 4 ALLERGEN

(Periplaneta
americana) 		PF08212
(Lipocalin_2) 		4 GLU A  35
ASP A 153
GLU A 155
GLU A  26
 PE4  A5747 (-3.5A)
None
None
PE4  A5747 (-3.3A)
 1.03A 1knyA-3ebwA:
undetectable
1knyB-3ebwA:
undetectable		 1knyA-3ebwA:
21.88
1knyB-3ebwA:
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		4 GLU A 202
GLU A 167
GLU A 100
GLU A 101
 FE  A 317 ( 2.6A)
FE  A 317 ( 3.0A)
None
FE  A 317 (-2.5A)
 1.17A 1knyA-3ee4A:
1.1
1knyB-3ee4A:
1.8		 1knyA-3ee4A:
21.21
1knyB-3ee4A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evn OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
agalactiae) 		PF01408
(GFO_IDH_MocA) 		4 GLU A  97
SER A 185
GLU A 123
GLU A 282
 None
 1.14A 1knyA-3evnA:
undetectable
1knyB-3evnA:
undetectable		 1knyA-3evnA:
20.53
1knyB-3evnA:
20.53
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.
3ez6 PLASMID PARTITION
PROTEIN A

(Escherichia
coli) 		PF13614
(AAA_31) 		4 LYS A 100
SER A  85
ASP A  72
GLU A  94
 None
 0.90A 1knyA-3ez6A:
undetectable
1knyB-3ez6A:
undetectable		 1knyA-3ez6A:
19.90
1knyB-3ez6A:
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.
3grc SENSOR PROTEIN,
KINASE

(Polaromonas sp.
JS666) 		PF00072
(Response_reg) 		4 SER A 628
ASP A 598
GLU A 633
GLU A 637
 None
 0.80A 1knyA-3grcA:
undetectable
1knyB-3grcA:
undetectable		 1knyA-3grcA:
21.46
1knyB-3grcA:
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.
3icy SENSOR PROTEIN

(Chlorobaculum
tepidum) 		PF08447
(PAS_3) 		4 GLU A   2
SER A  73
GLU A   1
GLU A  91
 None
 1.12A 1knyA-3icyA:
undetectable
1knyB-3icyA:
undetectable		 1knyA-3icyA:
20.56
1knyB-3icyA:
20.56
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.
3nxp PRETHROMBIN-1

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 GLU A 309
LYS A 602
GLU A 305
GLU A 300
 None
 1.00A 1knyA-3nxpA:
undetectable
1knyB-3nxpA:
undetectable		 1knyA-3nxpA:
19.86
1knyB-3nxpA:
19.86
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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		4 GLU A 140
LYS A 117
ASP A 130
GLU A 102
 None
 1.11A 1knyA-3o07A:
undetectable
1knyB-3o07A:
undetectable		 1knyA-3o07A:
22.22
1knyB-3o07A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o6q STAGE II SPORULATION
PROTEIN SA

(Bacillus
subtilis) 		PF14171
(SpoIISA_toxin) 		4 GLU A 101
GLU A 105
GLU A 108
GLU A 104
 None
 0.99A 1knyA-3o6qA:
undetectable
1knyB-3o6qA:
undetectable		 1knyA-3o6qA:
22.67
1knyB-3o6qA:
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.
3oqh PUTATIVE
UNCHARACTERIZED
PROTEIN YVMC

(Bacillus
licheniformis) 		PF16715
(CDPS) 		4 GLU A  76
SER A 118
GLU A  70
GLU A 179
 None
 1.15A 1knyA-3oqhA:
undetectable
1knyB-3oqhA:
undetectable		 1knyA-3oqhA:
20.00
1knyB-3oqhA:
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.
3pnx PUTATIVE
SULFURTRANSFERASE
DSRE

(Syntrophomonas
wolfei) 		PF13686
(DrsE_2) 		4 SER A 104
ASP A 105
GLU A  72
GLU A  51
 None
 1.07A 1knyA-3pnxA:
undetectable
1knyB-3pnxA:
undetectable		 1knyA-3pnxA:
19.92
1knyB-3pnxA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxv NITROREDUCTASE

(Desulfitobacterium
hafniense) 		PF00881
(Nitroreductase) 		4 GLU A 148
SER A 142
GLU A  64
GLU A  60
 None
 1.18A 1knyA-3pxvA:
undetectable
1knyB-3pxvA:
undetectable		 1knyA-3pxvA:
21.35
1knyB-3pxvA:
21.35
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.
3pzl AGMATINE
UREOHYDROLASE

(Thermoplasma
volcanium) 		PF00491
(Arginase) 		4 SER A 147
ASP A 148
GLU A 188
GLU A 187
 None
MN  A 314 (-2.3A)
None
None
 1.00A 1knyA-3pzlA:
undetectable
1knyB-3pzlA:
undetectable		 1knyA-3pzlA:
22.22
1knyB-3pzlA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qao MERR-LIKE
TRANSCRIPTIONAL
REGULATOR

(Listeria
monocytogenes) 		PF07739
(TipAS)
PF13411
(MerR_1) 		4 ASP A 122
GLU A 131
GLU A 129
GLU A 130
 None
 0.85A 1knyA-3qaoA:
undetectable
1knyB-3qaoA:
undetectable		 1knyA-3qaoA:
22.70
1knyB-3qaoA:
22.70
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.
3r03 NUDIX HYDROLASE

(Rhodospirillum
rubrum) 		PF14815
(NUDIX_4) 		4 GLU A  60
GLU A  72
GLU A  76
GLU A  75
 None
 1.10A 1knyA-3r03A:
undetectable
1knyB-3r03A:
undetectable		 1knyA-3r03A:
21.60
1knyB-3r03A:
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 GLU A 811
SER A 422
ASP A 423
GLU A 467
 None
 0.87A 1knyA-3s9vA:
2.5
1knyB-3s9vA:
2.5		 1knyA-3s9vA:
15.64
1knyB-3s9vA:
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.
3ssz MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Rhodobacteraceae
bacterium KLH11) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 263
LYS A 200
GLU A 237
GLU A 359
 None
 1.11A 1knyA-3sszA:
undetectable
1knyB-3sszA:
undetectable		 1knyA-3sszA:
21.00
1knyB-3sszA:
21.00
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.
3swg UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF00275
(EPSP_synthase) 		4 GLU A 410
GLU A 409
SER A  28
GLU A 406
 None
 1.05A 1knyA-3swgA:
undetectable
1knyB-3swgA:
undetectable		 1knyA-3swgA:
20.84
1knyB-3swgA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 333
LYS A 167
GLU A 257
GLU A 231
 None
None
FMT  A 391 (-3.6A)
None
 1.15A 1knyA-3t9pA:
undetectable
1knyB-3t9pA:
undetectable		 1knyA-3t9pA:
18.69
1knyB-3t9pA:
18.69
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.
3tj7 GBAA_1210 PROTEIN

(Bacillus
anthracis) 		PF01928
(CYTH) 		4 GLU A 151
SER A 138
GLU A 149
GLU A 125
 None
 1.12A 1knyA-3tj7A:
undetectable
1knyB-3tj7A:
undetectable		 1knyA-3tj7A:
20.69
1knyB-3tj7A:
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.
3u9j F-BOX/LRR-REPEAT
PROTEIN 5

(Homo sapiens) 		PF01814
(Hemerythrin) 		4 GLU A 131
SER A  81
GLU A 130
GLU A 129
 None
None
FE  A 200 ( 2.5A)
None
 1.18A 1knyA-3u9jA:
5.2
1knyB-3u9jA:
4.8		 1knyA-3u9jA:
21.71
1knyB-3u9jA:
21.71
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.
3v6a APOPTOSIS INHIBITOR
5

(Homo sapiens) 		PF05918
(API5) 		4 ASP A 185
GLU A 189
GLU A 190
GLU A 149
 None
 1.16A 1knyA-3v6aA:
undetectable
1knyB-3v6aA:
2.3		 1knyA-3v6aA:
19.39
1knyB-3v6aA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 GLU A 466
SER D 340
ASP D 353
GLU D 342
 None
 1.18A 1knyA-3w3aA:
2.5
1knyB-3w3aA:
2.5		 1knyA-3w3aA:
18.17
1knyB-3w3aA:
18.17
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.
3zx1 OXIDOREDUCTASE,
PUTATIVE

(Campylobacter
jejuni) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLU A 242
LYS A 334
SER A 327
GLU A 339
 None
 1.18A 1knyA-3zx1A:
undetectable
1knyB-3zx1A:
undetectable		 1knyA-3zx1A:
19.42
1knyB-3zx1A:
19.42
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.
4apl APICAL MEMBRANE
ANTIGEN 1

(Neospora
caninum) 		PF02430
(AMA-1) 		4 GLU A 171
ASP A 409
GLU A 174
GLU A 184
 None
 0.97A 1knyA-4aplA:
undetectable
1knyB-4aplA:
undetectable		 1knyA-4aplA:
19.77
1knyB-4aplA:
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.
4b61 ALGINATE PRODUCTION
PROTEIN ALGE

(Pseudomonas
aeruginosa) 		PF13372
(Alginate_exp) 		4 GLU A 100
ASP A  55
GLU A  51
GLU A 368
 None
CU  A1505 (-2.3A)
None
None
 0.90A 1knyA-4b61A:
undetectable
1knyB-4b61A:
undetectable		 1knyA-4b61A:
18.83
1knyB-4b61A:
18.83
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.
4fhn NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		4 GLU B   3
ASP B 682
GLU B 553
GLU B 549
 None
 0.96A 1knyA-4fhnB:
undetectable
1knyB-4fhnB:
1.1		 1knyA-4fhnB:
12.94
1knyB-4fhnB:
12.94
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.
4hwg UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Rickettsia
bellii) 		PF02350
(Epimerase_2) 		4 GLU A 116
ASP A 281
GLU A 304
GLU A 287
 None
 1.11A 1knyA-4hwgA:
undetectable
1knyB-4hwgA:
undetectable		 1knyA-4hwgA:
21.09
1knyB-4hwgA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxw DNA GYRASE SUBUNIT B

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		4 SER A  67
ASP A  83
GLU A 226
GLU A 215
 None
 1.08A 1knyA-4hxwA:
undetectable
1knyB-4hxwA:
undetectable		 1knyA-4hxwA:
19.01
1knyB-4hxwA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 GLU A 309
LYS A 532
GLU A 305
GLU A 300
 None
 1.11A 1knyA-4hzhA:
undetectable
1knyB-4hzhA:
undetectable		 1knyA-4hzhA:
18.96
1knyB-4hzhA:
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.
4k92 CLIP-ASSOCIATING
PROTEIN 1

(Homo sapiens) 		PF12348
(CLASP_N) 		4 GLU A 505
LYS A 508
ASP A 298
GLU A 466
 None
 0.91A 1knyA-4k92A:
undetectable
1knyB-4k92A:
undetectable		 1knyA-4k92A:
23.37
1knyB-4k92A:
23.37
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.
4l9r INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE

(Bacillus
subtilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 SER A 290
ASP A 286
GLU A 296
GLU A 113
 None
 1.04A 1knyA-4l9rA:
undetectable
1knyB-4l9rA:
undetectable		 1knyA-4l9rA:
23.20
1knyB-4l9rA:
23.20
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.
4odj S-ADENOSYLMETHIONINE
SYNTHASE

(Cryptosporidium
hominis) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 SER A  43
ASP A  44
GLU A  62
GLU A  75
 None
 1.13A 1knyA-4odjA:
undetectable
1knyB-4odjA:
undetectable		 1knyA-4odjA:
20.43
1knyB-4odjA:
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.
4pkv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 GLU A 739
SER A 746
ASP A 748
GLU A 682
 30R  A 801 (-3.4A)
None
None
None
 1.17A 1knyA-4pkvA:
undetectable
1knyB-4pkvA:
undetectable		 1knyA-4pkvA:
19.09
1knyB-4pkvA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tpv PLATELET INHIBITOR

(Ancylostoma
caninum) 		PF00188
(CAP) 		4 GLU A  68
SER A 118
ASP A 117
GLU A  69
 None
 1.03A 1knyA-4tpvA:
undetectable
1knyB-4tpvA:
undetectable		 1knyA-4tpvA:
18.67
1knyB-4tpvA:
18.67
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.
4ua3 UNCHARACTERIZED
N-ACETYLTRANSFERASE
C825.04C

(Schizosaccharomyces
pombe) 		PF00583
(Acetyltransf_1) 		4 GLU A  79
SER A  67
ASP A 192
GLU A 119
 None
None
None
COA  A 301 ( 4.7A)
 1.00A 1knyA-4ua3A:
undetectable
1knyB-4ua3A:
undetectable		 1knyA-4ua3A:
22.93
1knyB-4ua3A:
22.93
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.
4up7 LYSINE--TRNA LIGASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 GLU A 562
SER A   2
GLU A 571
GLU A 574
 None
 1.17A 1knyA-4up7A:
undetectable
1knyB-4up7A:
undetectable		 1knyA-4up7A:
15.04
1knyB-4up7A:
15.04
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 SER A1170
ASP A1169
GLU A1172
GLU A1145
 None
CA  A1204 (-3.6A)
None
None
 0.81A 1knyA-4w8jA:
4.0
1knyB-4w8jA:
0.9		 1knyA-4w8jA:
11.12
1knyB-4w8jA:
11.12
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.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 LYS A  87
SER A 168
GLU A 151
GLU A 149
 None
 1.10A 1knyA-4wa8A:
undetectable
1knyB-4wa8A:
undetectable		 1knyA-4wa8A:
19.95
1knyB-4wa8A:
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.
4wwy TRYPSIN-1

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLU A 154
SER A  32
GLU A  70
GLU A  77
 None
 1.15A 1knyA-4wwyA:
undetectable
1knyB-4wwyA:
undetectable		 1knyA-4wwyA:
20.00
1knyB-4wwyA:
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.
4wxz PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Geobacillus
kaustophilus) 		PF01680
(SOR_SNZ) 		4 GLU A 141
LYS A 118
ASP A 131
GLU A 103
 None
 1.16A 1knyA-4wxzA:
undetectable
1knyB-4wxzA:
undetectable		 1knyA-4wxzA:
22.86
1knyB-4wxzA:
22.86
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 SER A1072
ASP A1073
GLU A1105
GLU A1104
 None
 0.90A 1knyA-4xqkA:
undetectable
1knyB-4xqkA:
undetectable		 1knyA-4xqkA:
10.69
1knyB-4xqkA:
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 GLU A 109
SER A 168
ASP A 169
GLU A 176
 None
 1.10A 1knyA-4ynnA:
undetectable
1knyB-4ynnA:
undetectable		 1knyA-4ynnA:
20.61
1knyB-4ynnA:
20.61
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.
5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 SER A  38
ASP A  39
GLU A  57
GLU A  70
 None
 1.12A 1knyA-5a1iA:
undetectable
1knyB-5a1iA:
1.7		 1knyA-5a1iA:
22.36
1knyB-5a1iA:
22.36
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.
5a2e T-CELL
DIFFERENTIATION
ANTIGEN CD6

(Homo sapiens) 		PF00530
(SRCR) 		4 SER A 146
ASP A 147
GLU A  67
GLU A  59
 None
 1.09A 1knyA-5a2eA:
undetectable
1knyB-5a2eA:
undetectable		 1knyA-5a2eA:
21.75
1knyB-5a2eA:
21.75
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.
5cwi DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 GLU A  73
SER A 199
GLU A 136
GLU A  76
 None
 1.14A 1knyA-5cwiA:
1.8
1knyB-5cwiA:
2.9		 1knyA-5cwiA:
23.47
1knyB-5cwiA:
23.47
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.
5d1p ATP-DEPENDENT RNA
LIGASE

(Methanothermobacter
thermautotrophicus) 		PF09414
(RNA_ligase) 		4 GLU A  66
LYS A 180
GLU A  64
SER A  38
 None
 1.10A 1knyA-5d1pA:
undetectable
1knyB-5d1pA:
undetectable		 1knyA-5d1pA:
21.08
1knyB-5d1pA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		4 GLU A 344
LYS A   3
SER A  54
ASP A 363
 None
 1.18A 1knyA-5e78A:
1.1
1knyB-5e78A:
undetectable		 1knyA-5e78A:
20.18
1knyB-5e78A:
20.18
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLU A  29
ASP A 433
GLU A 415
GLU A 352
 None
 1.07A 1knyA-5fr8A:
undetectable
1knyB-5fr8A:
undetectable		 1knyA-5fr8A:
17.37
1knyB-5fr8A:
17.37
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.
5gu6 ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 44

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		4 GLU A  93
GLU A 226
GLU A 230
GLU A 229
 None
 1.04A 1knyA-5gu6A:
undetectable
1knyB-5gu6A:
undetectable		 1knyA-5gu6A:
21.15
1knyB-5gu6A:
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.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		4 GLU A 725
SER A 846
GLU A 765
GLU A 718
 None
 0.92A 1knyA-5hb1A:
undetectable
1knyB-5hb1A:
2.6		 1knyA-5hb1A:
14.37
1knyB-5hb1A:
14.37
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		4 GLU A 487
LYS A 505
GLU A 491
GLU A 502
 None
 1.08A 1knyA-5ijlA:
undetectable
1knyB-5ijlA:
undetectable		 1knyA-5ijlA:
12.48
1knyB-5ijlA:
12.48
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 GLU L  13
ASP L 307
GLU L 335
GLU L 342
 None
FAD  L 503 (-4.4A)
None
None
 1.14A 1knyA-5jfcL:
undetectable
1knyB-5jfcL:
undetectable		 1knyA-5jfcL:
21.04
1knyB-5jfcL:
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.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		4 SER A 197
ASP A 198
GLU A  13
GLU A  12
 4CT  A 301 ( 2.8A)
4CT  A 301 (-2.2A)
4CT  A 301 ( 4.5A)
None
 0.87A 1knyA-5k1zA:
undetectable
1knyB-5k1zA:
undetectable		 1knyA-5k1zA:
23.31
1knyB-5k1zA:
23.31
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		4 GLU A 456
SER A 202
GLU A 234
GLU A 335
 None
 1.13A 1knyA-5l44A:
3.4
1knyB-5l44A:
3.0		 1knyA-5l44A:
16.22
1knyB-5l44A:
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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		4 GLU A 425
SER A 375
GLU A 372
GLU A 368
 None
 1.08A 1knyA-5nagA:
undetectable
1knyB-5nagA:
undetectable		 1knyA-5nagA:
19.03
1knyB-5nagA:
19.03
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 GLU A 536
SER A 144
ASP A 103
GLU A 583
 None
 1.14A 1knyA-5necA:
undetectable
1knyB-5necA:
undetectable		 1knyA-5necA:
17.09
1knyB-5necA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o9g CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 GLU W 581
GLU W 580
GLU W 577
GLU W 578
 None
 0.89A 1knyA-5o9gW:
undetectable
1knyB-5o9gW:
undetectable		 1knyA-5o9gW:
10.37
1knyB-5o9gW:
10.37
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.
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT5

(Homo sapiens) 		PF00467
(KOW)
PF03439
(Spt5-NGN) 		4 GLU Z 556
ASP Z 289
GLU Z 392
GLU Z 394
 None
 1.14A 1knyA-5oikZ:
undetectable
1knyB-5oikZ:
undetectable		 1knyA-5oikZ:
13.06
1knyB-5oikZ:
13.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tok SINGLE-DOMAIN
ANTIBODY F-VHH-L66

(Lama glama) 		PF07686
(V-set) 		4 GLU D  44
SER D  62
ASP D  61
GLU D  46
 None
 1.05A 1knyA-5tokD:
undetectable
1knyB-5tokD:
undetectable		 1knyA-5tokD:
17.00
1knyB-5tokD:
17.00
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.
5tp3 F-VHH-4

(Lama glama) 		PF07686
(V-set) 		4 GLU A  44
SER A  62
ASP A  61
GLU A  46
 None
 0.92A 1knyA-5tp3A:
undetectable
1knyB-5tp3A:
undetectable		 1knyA-5tp3A:
17.67
1knyB-5tp3A:
17.67
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.
5ugw TELOMERASE REVERSE
TRANSCRIPTASE

(Homo sapiens) 		no annotation 4 LYS A1106
SER A1037
ASP A1038
GLU A1068
 None
 1.11A 1knyA-5ugwA:
2.1
1knyB-5ugwA:
2.4		 1knyA-5ugwA:
23.31
1knyB-5ugwA:
23.31
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.
5vo5 COILED-COIL AND C2
DOMAIN-CONTAINING
PROTEIN
1-LIKE,GH13992P

(Drosophila
melanogaster) 		PF03357
(Snf7) 		4 GLU A  25
ASP A 139
GLU A 146
GLU A 150
 None
 1.14A 1knyA-5vo5A:
2.3
1knyB-5vo5A:
3.6		 1knyA-5vo5A:
21.03
1knyB-5vo5A:
21.03
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.
5xbf HARMONIN

(Homo sapiens) 		PF00595
(PDZ) 		4 GLU B 501
LYS B 451
SER B 474
ASP B 473
 None
 1.16A 1knyA-5xbfB:
undetectable
1knyB-5xbfB:
undetectable		 1knyA-5xbfB:
18.36
1knyB-5xbfB:
18.36
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.
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1

(Homo sapiens) 		no annotation 4 GLU A 444
GLU A 443
GLU A 440
GLU A 441
 None
 1.15A 1knyA-6bfnA:
3.8
1knyB-6bfnA:
3.9		 1knyA-6bfnA:
20.29
1knyB-6bfnA:
20.29
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.
6emr -

(-) 		no annotation 4 GLU A 507
SER A 511
ASP A 514
GLU A 509
 None
 1.17A 1knyA-6emrA:
undetectable
1knyB-6emrA:
undetectable		 1knyA-6emrA:
undetectable
1knyB-6emrA:
undetectable