SIMILAR PATTERNS OF AMINO ACIDS FOR 1NW3_A_ACTA600_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyd ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE A

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		4 LEU B 189
VAL B 123
TYR B 106
THR B 190
 None
 1.50A 1nw3A-1gydB:
undetectable		 1nw3A-1gydB:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 LEU A 391
VAL A 263
TYR A 262
THR A 267
 None
 1.44A 1nw3A-1h0hA:
undetectable		 1nw3A-1h0hA:
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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 LEU A 536
VAL A 538
TYR A 541
THR A 367
 None
 1.27A 1nw3A-1hp1A:
undetectable		 1nw3A-1hp1A:
22.91
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 LEU A 430
VAL A 302
TYR A 301
THR A 306
 None
 1.44A 1nw3A-1kqfA:
undetectable		 1nw3A-1kqfA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m2p CASEIN KINASE II,
ALPHA CHAIN

(Zea mays) 		PF00069
(Pkinase) 		4 LEU A 316
VAL A  11
TYR A  12
THR A 314
 None
 1.30A 1nw3A-1m2pA:
undetectable		 1nw3A-1m2pA:
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.
1sqh HYPOTHETICAL PROTEIN
CG14615-PA

(Drosophila
melanogaster) 		PF08445
(FR47) 		4 LEU A 268
VAL A 156
TYR A 288
THR A 267
 None
 1.45A 1nw3A-1sqhA:
undetectable		 1nw3A-1sqhA:
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		4 LEU A 218
VAL A 214
ARG A 381
THR A 339
 None
 0.96A 1nw3A-1xiuA:
undetectable		 1nw3A-1xiuA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		4 LEU A  72
VAL A 114
ARG A  87
THR A  71
 None
 1.36A 1nw3A-2bvtA:
undetectable		 1nw3A-2bvtA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ckx TELOMERE BINDING
PROTEIN TBP1

(Nicotiana
tabacum) 		PF00249
(Myb_DNA-binding) 		4 LEU A 619
VAL A 617
ARG A 601
THR A 615
 None
 1.47A 1nw3A-2ckxA:
undetectable		 1nw3A-2ckxA:
12.68
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.
2gmu PUTATIVE
PYRIDOXAMINE
5-PHOSPHATE-DEPENDEN
T DEHYDRASE, WBDK

(Escherichia
coli) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A  61
VAL A 249
TYR A 247
THR A  58
 None
 1.30A 1nw3A-2gmuA:
2.5		 1nw3A-2gmuA:
21.37
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.
2hpq PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle) 		4 LEU P 313
VAL P 360
TYR P 309
ARG P 351
 None
 1.41A 1nw3A-2hpqP:
undetectable		 1nw3A-2hpqP:
9.86
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.
2iuw ALKYLATED REPAIR
PROTEIN ALKB HOMOLOG
3

(Homo sapiens) 		PF13532
(2OG-FeII_Oxy_2) 		4 LEU A  92
VAL A  90
TYR A  78
ARG A  70
 None
 1.21A 1nw3A-2iuwA:
undetectable		 1nw3A-2iuwA:
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.
2l7b APOLIPOPROTEIN E

(Homo sapiens) 		PF01442
(Apolipoprotein) 		4 LEU A  82
VAL A 161
TYR A 162
THR A  83
 None
 1.37A 1nw3A-2l7bA:
1.3		 1nw3A-2l7bA:
24.11
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.
2lxf UNCHARACTERIZED
PROTEIN

(Giardia
intestinalis) 		PF00708
(Acylphosphatase) 		4 LEU A  36
VAL A  77
TYR A  38
THR A  35
 None
 1.36A 1nw3A-2lxfA:
undetectable		 1nw3A-2lxfA:
15.70
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.
2m7o UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF15513
(DUF4651) 		4 LEU A  13
VAL A  32
TYR A  35
THR A  14
 None
 1.09A 1nw3A-2m7oA:
undetectable		 1nw3A-2m7oA:
9.80
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.
2ozv HYPOTHETICAL PROTEIN
ATU0636

(Agrobacterium
fabrum) 		PF05175
(MTS) 		4 LEU A  39
TYR A 255
ARG A 228
THR A 216
 None
 1.50A 1nw3A-2ozvA:
10.3		 1nw3A-2ozvA:
19.52
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.
2p0u STILBENECARBOXYLATE
SYNTHASE 2

(Marchantia
polymorpha) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A 276
VAL A 282
ARG A 112
THR A 277
 None
 1.29A 1nw3A-2p0uA:
undetectable		 1nw3A-2p0uA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uyg 3-DEHYDROQUINATE
DEHYDRATASE

(Thermus
thermophilus) 		PF01220
(DHquinase_II) 		4 LEU A 100
VAL A  20
ARG A 110
THR A 101
 GOL  A1143 (-4.6A)
None
GOL  A1143 ( 4.9A)
GOL  A1143 ( 4.1A)
 1.27A 1nw3A-2uygA:
undetectable		 1nw3A-2uygA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vl8 CYTOTOXIN L

(Paeniclostridium
sordellii) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 LEU A 272
VAL A 252
TYR A 255
ARG A 241
 None
 1.28A 1nw3A-2vl8A:
undetectable		 1nw3A-2vl8A:
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.
2x9x CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		4 VAL A 467
TYR A 477
ARG A 590
THR A 578
 None
 1.32A 1nw3A-2x9xA:
undetectable		 1nw3A-2x9xA:
21.94
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		4 LEU A 387
VAL A 994
TYR A 992
THR A1051
 None
 1.45A 1nw3A-3aibA:
1.3		 1nw3A-3aibA:
19.58
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.
3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Cytophaga
hutchinsonii) 		PF03009
(GDPD) 		4 LEU A  39
TYR A 132
ARG A 169
THR A  38
 None
 0.99A 1nw3A-3ch0A:
undetectable		 1nw3A-3ch0A:
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.
3epc PROTEIN VP1

(Enterovirus C) 		PF00073
(Rhv) 		4 LEU 1 291
TYR 1 286
ARG 1 275
THR 1 290
 None
 1.38A 1nw3A-3epc1:
undetectable		 1nw3A-3epc1:
21.36
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.
3f3k UNCHARACTERIZED
PROTEIN YKR043C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		4 LEU A  97
VAL A  93
ARG A  67
THR A  64
 None
 1.41A 1nw3A-3f3kA:
undetectable		 1nw3A-3f3kA:
22.47
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.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A 161
VAL A 156
TYR A 157
THR A 160
 None
 1.33A 1nw3A-3fk5A:
undetectable		 1nw3A-3fk5A:
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 LEU A 324
VAL A 247
TYR A 334
ARG A 249
 None
 1.41A 1nw3A-3fw8A:
undetectable		 1nw3A-3fw8A:
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.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis) 		PF12741
(SusD-like) 		4 LEU A 160
VAL A 124
TYR A 128
THR A 163
 None
 1.36A 1nw3A-3gzsA:
undetectable		 1nw3A-3gzsA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hl4 CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE
A

(Rattus
norvegicus) 		PF01467
(CTP_transf_like) 		4 LEU A 153
VAL A 181
TYR A 182
THR A 152
 None
 1.19A 1nw3A-3hl4A:
undetectable		 1nw3A-3hl4A:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j04 MYOSIN REGULATORY
LIGHT CHAIN 2,
SMOOTH MUSCLE MAJOR
ISOFORM

(Gallus gallus) 		PF13405
(EF-hand_6)
PF13833
(EF-hand_8) 		4 LEU B 126
VAL B 138
TYR B 142
THR B 127
 None
 1.36A 1nw3A-3j04B:
undetectable		 1nw3A-3j04B:
13.33
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 4 LEU C 339
VAL C 318
TYR C 105
THR C 335
 None
 1.32A 1nw3A-3j9uC:
undetectable		 1nw3A-3j9uC:
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 LEU A 691
VAL A 657
ARG A 625
THR A 655
 None
 1.35A 1nw3A-3k0sA:
1.8		 1nw3A-3k0sA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lg6 PUTATIVE GLUTATHIONE
TRANSFERASE

(Coccidioides
immitis) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		4 LEU A 176
VAL A 112
ARG A 109
THR A 175
 None
 1.38A 1nw3A-3lg6A:
undetectable		 1nw3A-3lg6A:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m8u HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		4 LEU A 260
VAL A 511
TYR A 514
THR A 507
 None
 1.23A 1nw3A-3m8uA:
2.1		 1nw3A-3m8uA:
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.
3mcx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 LEU A 459
TYR A  92
ARG A 453
THR A 461
 None
 1.43A 1nw3A-3mcxA:
0.7		 1nw3A-3mcxA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mjo RIBONUCLEOTIDE
REDUCTASE SUBUNIT
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		4 LEU A 235
VAL A 162
TYR A 151
THR A 232
 None
 1.38A 1nw3A-3mjoA:
0.9		 1nw3A-3mjoA:
24.36
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.
3o1l FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00551
(Formyl_trans_N) 		4 LEU A 126
VAL A 130
TYR A 137
ARG A 127
 None
 1.39A 1nw3A-3o1lA:
3.0		 1nw3A-3o1lA:
21.23
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		4 LEU A 191
VAL A 189
TYR A 120
THR A 178
 None
 1.34A 1nw3A-3ooiA:
undetectable		 1nw3A-3ooiA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oun PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8

(Mycobacterium
tuberculosis) 		PF00498
(FHA) 		4 LEU A  22
TYR A  32
ARG A  35
THR A  21
 None
 1.38A 1nw3A-3ounA:
undetectable		 1nw3A-3ounA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 LEU A 261
TYR A 265
ARG A 242
THR A 267
 None
 1.32A 1nw3A-3pdiA:
2.6		 1nw3A-3pdiA:
22.94
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.
3rza TRIPEPTIDASE

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 339
VAL A 337
TYR A 164
THR A 175
 None
 1.33A 1nw3A-3rzaA:
undetectable		 1nw3A-3rzaA:
22.61
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 VAL A 597
TYR A 569
ARG A 186
THR A  36
 None
 1.04A 1nw3A-3um6A:
undetectable		 1nw3A-3um6A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wyw GLUTATHIONE
S-TRANSFERASE

(Nilaparvata
lugens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 LEU A 156
VAL A  95
TYR A  85
THR A 155
 None
 1.39A 1nw3A-3wywA:
undetectable		 1nw3A-3wywA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zpx LIPASE

(Ustilago maydis) 		PF03583
(LIP) 		4 LEU A 214
VAL A 346
TYR A 345
ARG A 326
 None
 1.31A 1nw3A-3zpxA:
undetectable		 1nw3A-3zpxA:
22.58
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 LEU A 944
VAL A1548
TYR A1546
THR A1604
 None
 1.44A 1nw3A-4amcA:
2.8		 1nw3A-4amcA:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 LEU A 362
VAL A 322
TYR A 377
THR A 365
 None
 1.46A 1nw3A-4bedA:
undetectable		 1nw3A-4bedA:
12.79
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.
4ce4 MRPL49

(Sus scrofa) 		no annotation 4 LEU l 147
VAL l 140
ARG l 148
THR l 146
 None
 1.50A 1nw3A-4ce4l:
undetectable		 1nw3A-4ce4l:
17.57
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.
4d86 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		4 LEU A1122
VAL A1030
TYR A1088
THR A1119
 None
 1.35A 1nw3A-4d86A:
undetectable		 1nw3A-4d86A:
22.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 LEU A 158
VAL A 160
TYR A 183
ARG A 231
THR A 235
 None
 0.12A 1nw3A-4er6A:
42.1		 1nw3A-4er6A:
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 236
VAL A 228
TYR A 199
THR A 232
 None
IOD  A 506 ( 4.1A)
None
IOD  A 506 (-3.5A)
 1.49A 1nw3A-4ihcA:
undetectable		 1nw3A-4ihcA:
21.22
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.
4j2q S-ARRESTIN

(Bos taurus) 		PF00339
(Arrestin_N)
PF02752
(Arrestin_C) 		4 LEU A  46
VAL A  44
TYR A  25
THR A 115
 None
 0.89A 1nw3A-4j2qA:
undetectable		 1nw3A-4j2qA:
21.34
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		4 LEU A 250
VAL A 517
TYR A 518
THR A 251
 None
 1.31A 1nw3A-4jc8A:
2.8		 1nw3A-4jc8A:
21.56
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.
4kw3 NS1

(Human bocavirus) 		no annotation 4 LEU A  89
VAL A 120
TYR A  18
THR A  86
 None
 1.49A 1nw3A-4kw3A:
undetectable		 1nw3A-4kw3A:
20.33
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.
4mvc CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE
A

(Rattus
norvegicus) 		PF01467
(CTP_transf_like) 		4 LEU A 153
VAL A 181
TYR A 182
THR A 152
 None
None
CDC  A 401 (-4.6A)
None
 1.12A 1nw3A-4mvcA:
undetectable		 1nw3A-4mvcA:
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.
4oec GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Thermococcus
kodakarensis) 		PF03009
(GDPD) 		4 LEU A  44
VAL A  51
ARG A  49
THR A  45
 None
 1.20A 1nw3A-4oecA:
undetectable		 1nw3A-4oecA:
19.56
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 4 LEU A  94
VAL A 135
TYR A 124
THR A 118
 None
 1.43A 1nw3A-4qfbA:
undetectable		 1nw3A-4qfbA:
18.53
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.
4wvw GALECTIN

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		4 LEU A 137
VAL A  19
TYR A  18
THR A 136
 None
 1.46A 1nw3A-4wvwA:
undetectable		 1nw3A-4wvwA:
16.46
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		4 LEU H 130
VAL H 133
TYR H 203
THR H 201
 None
 1.47A 1nw3A-4ylqH:
undetectable		 1nw3A-4ylqH:
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.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		4 LEU A 430
VAL A  58
ARG A 440
THR A 428
 None
 1.49A 1nw3A-4zfmA:
undetectable		 1nw3A-4zfmA:
21.61
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.
4zwj CHIMERA PROTEIN OF
HUMAN RHODOPSIN,
MOUSE S-ARRESTIN,
AND T4 ENDOLYSIN

(Homo sapiens;
Mus musculus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00339
(Arrestin_N)
PF00959
(Phage_lysozyme)
PF02752
(Arrestin_C)
PF10413
(Rhodopsin_N) 		4 LEU A2047
VAL A2045
TYR A2026
THR A2116
 None
 0.88A 1nw3A-4zwjA:
undetectable		 1nw3A-4zwjA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A 117
VAL A  69
TYR A  98
THR A 114
 None
 1.20A 1nw3A-5by7A:
undetectable		 1nw3A-5by7A:
23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 LEU A 158
VAL A 160
TYR A 183
ARG A 231
THR A 235
 None
 0.16A 1nw3A-5dtrA:
39.8		 1nw3A-5dtrA:
92.22
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.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		4 LEU A  32
VAL A  27
TYR A  28
THR A  31
 None
 1.34A 1nw3A-5gm2A:
10.6		 1nw3A-5gm2A:
20.83
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.
5h46 DNA PROTECTION
DURING STARVATION
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 LEU A  31
VAL A 112
TYR A 113
THR A  34
 None
 1.26A 1nw3A-5h46A:
undetectable		 1nw3A-5h46A:
16.09
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		4 LEU A1163
VAL A1161
TYR A1092
THR A1150
 None
 1.32A 1nw3A-5lsuA:
undetectable		 1nw3A-5lsuA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 LEU A1126
VAL A1124
TYR A1090
THR A1132
 None
 0.87A 1nw3A-5mzoA:
undetectable		 1nw3A-5mzoA:
14.70
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.
5o2d POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		no annotation 4 LEU A1122
VAL A1030
TYR A1088
THR A1119
 None
 1.36A 1nw3A-5o2dA:
undetectable		 1nw3A-5o2dA:
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.
5y05 MSMEG_4306

(Mycolicibacterium
smegmatis) 		no annotation 4 LEU A  11
VAL A 182
TYR A 185
ARG A 170
 None
 1.37A 1nw3A-5y05A:
undetectable		 1nw3A-5y05A:
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.
6bwf -

(-) 		no annotation 4 LEU A 397
VAL A 388
TYR A 770
THR A 393
 None
 1.37A 1nw3A-6bwfA:
undetectable		 1nw3A-6bwfA:
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 4 LEU A1245
VAL A1243
TYR A1174
THR A1232
 None
 1.39A 1nw3A-6cenA:
undetectable		 1nw3A-6cenA:
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.
6d7t TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Homo sapiens) 		no annotation 4 LEU A 200
VAL A 235
ARG A 190
THR A 198
 None
 1.03A 1nw3A-6d7tA:
2.2		 1nw3A-6d7tA:
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 4 LEU A 391
VAL A 351
TYR A 354
THR A 390
 None
 1.49A 1nw3A-6ez8A:
undetectable		 1nw3A-6ez8A:
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 4 LEU A2269
VAL A2043
TYR A2035
THR A2270
 None
 1.19A 1nw3A-6fayA:
undetectable		 1nw3A-6fayA:
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.
6gup -

(-) 		no annotation 4 LEU A  71
VAL A  23
TYR A  18
THR A  72
 None
 1.26A 1nw3A-6gupA:
undetectable		 1nw3A-6gupA:
undetectable