SIMILAR PATTERNS OF AMINO ACIDS FOR 2PKK_A_2FAA501_2

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.
1bvs PROTEIN (HOLLIDAY
JUNCTION DNA
HELICASE RUVA)

(Mycobacterium
leprae) 		PF01330
(RuvA_N)
PF07499
(RuvA_C)
PF14520
(HHH_5) 		4 ALA A  73
VAL A  80
PHE A  71
THR A  88
 None
 1.42A 2pkkA-1bvsA:
undetectable		 2pkkA-1bvsA:
24.23
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.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE

(Thermus
thermophilus) 		PF00115
(COX1) 		4 ALA A 480
VAL A 425
PHE A 484
THR A 394
 None
None
None
HEM  A 800 (-3.6A)
 1.40A 2pkkA-1ehkA:
undetectable		 2pkkA-1ehkA:
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ALA A 240
VAL A 238
PHE A 302
THR A 331
 None
 1.39A 2pkkA-1ileA:
undetectable		 2pkkA-1ileA:
17.43
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT
GLYCEROL DEHYDRATASE
GAMMA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU)
PF02287
(Dehydratase_SU) 		4 ALA G  68
VAL A 293
PHE G  73
THR A 505
 None
 1.42A 2pkkA-1iwpG:
undetectable		 2pkkA-1iwpG:
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 ALA A 452
VAL A 450
PHE A 310
THR A 422
 None
 1.17A 2pkkA-1ji6A:
undetectable		 2pkkA-1ji6A:
19.50
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		4 ALA A  15
VAL A  18
PHE A  31
THR A   4
 None
 1.09A 2pkkA-1mppA:
undetectable		 2pkkA-1mppA:
22.88
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.
1npe NIDOGEN

(Mus musculus) 		PF00058
(Ldl_recept_b) 		4 ALA A1098
VAL A1096
PHE A1124
THR A1051
 None
 1.33A 2pkkA-1npeA:
undetectable		 2pkkA-1npeA:
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.
1ue0 ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1) 		4 ALA A 240
VAL A 238
PHE A 302
THR A 331
 None
 1.37A 2pkkA-1ue0A:
undetectable		 2pkkA-1ue0A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 ALA A 123
VAL A 168
PHE A 120
THR A 171
 None
 1.43A 2pkkA-1vquA:
4.8		 2pkkA-1vquA:
27.54
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.
1x5p NEGATIVE ELONGATION
FACTOR E

(Homo sapiens) 		PF00076
(RRM_1) 		4 ALA A  67
VAL A  81
PHE A  37
THR A  72
 None
 1.49A 2pkkA-1x5pA:
undetectable		 2pkkA-1x5pA:
15.62
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.
1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		no annotation 4 ALA B 417
VAL B 520
PHE B 418
THR B 435
 None
ADX  B2700 (-4.1A)
ADX  B2700 (-4.3A)
None
 1.42A 2pkkA-1xnjB:
2.3		 2pkkA-1xnjB:
20.45
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.
2cx9 ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A  84
VAL A  89
PHE A  39
THR A 160
 None
 1.28A 2pkkA-2cx9A:
undetectable		 2pkkA-2cx9A:
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.
2d90 PDZ DOMAIN
CONTAINING PROTEIN 1

(Mus musculus) 		PF00595
(PDZ) 		4 ALA A  43
VAL A  10
PHE A  21
THR A  81
 None
 1.38A 2pkkA-2d90A:
undetectable		 2pkkA-2d90A:
16.17
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.
2dh7 NUCLEOLYSIN TIAR

(Homo sapiens) 		PF00076
(RRM_1) 		4 ALA A 151
VAL A 143
PHE A 120
THR A 170
 None
 1.23A 2pkkA-2dh7A:
undetectable		 2pkkA-2dh7A:
17.86
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.
2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES

(Homo sapiens) 		PF00018
(SH3_1) 		4 ALA A 131
VAL A  93
PHE A  96
THR A 124
 None
 1.35A 2pkkA-2hdaA:
undetectable		 2pkkA-2hdaA:
10.82
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 ALA A 666
VAL A 330
PHE A 667
THR A 369
 None
 1.48A 2pkkA-2jgdA:
undetectable		 2pkkA-2jgdA:
17.85
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 ALA A 666
VAL A 330
PHE A 700
THR A 673
 None
None
None
AMP  A1934 (-3.9A)
 1.30A 2pkkA-2jgdA:
undetectable		 2pkkA-2jgdA:
17.85
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.
2nt8 COBALAMIN
ADENOSYLTRANSFERASE

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 ALA A 166
VAL A 126
PHE A 162
THR A  44
 None
 1.27A 2pkkA-2nt8A:
undetectable		 2pkkA-2nt8A:
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.
2nv2 PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Bacillus
subtilis) 		PF01680
(SOR_SNZ) 		4 ALA A 211
VAL A 234
PHE A 210
THR A 255
 None
 1.48A 2pkkA-2nv2A:
undetectable		 2pkkA-2nv2A:
25.51
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.
2rds FE(II)/ALPHA-KETOGL
UTARATE DEPENDENT
HYDROXYLASE
1-DEOXYPENTALENIC
ACID 11-BETA
HYDROXYLASE

(Streptomyces
avermitilis) 		PF05721
(PhyH) 		4 ALA A  89
VAL A  85
PHE A  90
THR A 114
 None
 1.34A 2pkkA-2rdsA:
undetectable		 2pkkA-2rdsA:
24.07
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.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		4 ALA A  21
VAL A  24
PHE A  37
THR A   9
 None
 1.19A 2pkkA-2rmpA:
undetectable		 2pkkA-2rmpA:
23.74
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.
2v6g PROGESTERONE
5-BETA-REDUCTASE

(Digitalis
lanata) 		PF01370
(Epimerase) 		4 ALA A 384
VAL A 388
PHE A 209
THR A 331
 None
 1.32A 2pkkA-2v6gA:
5.1		 2pkkA-2v6gA:
22.89
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		4 ALA A 291
VAL A 286
PHE A 292
THR A 133
 None
 1.04A 2pkkA-2wu8A:
3.8		 2pkkA-2wu8A:
24.15
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		4 ALA A 167
VAL A 170
PHE A 164
THR A 175
 None
FMC  A 229 ( 4.7A)
None
None
 1.30A 2pkkA-3bl6A:
3.4		 2pkkA-3bl6A:
22.33
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.
3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B

(Bacillus cereus) 		PF01613
(Flavin_Reduct) 		4 ALA A  28
VAL A  82
PHE A  29
THR A  71
 None
 1.08A 2pkkA-3bpkA:
undetectable		 2pkkA-3bpkA:
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.
3bqy PUTATIVE TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		4 ALA A 145
VAL A 129
PHE A 137
THR A  90
 None
 1.42A 2pkkA-3bqyA:
undetectable		 2pkkA-3bqyA:
23.81
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.
3czq PUTATIVE
POLYPHOSPHATE KINASE
2

(Sinorhizobium
meliloti) 		PF03976
(PPK2) 		4 ALA A 252
VAL A 266
PHE A 191
THR A 272
 None
 1.31A 2pkkA-3czqA:
undetectable		 2pkkA-3czqA:
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.
3d2z N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMID

(Escherichia
coli) 		PF01510
(Amidase_2) 		4 ALA A  61
VAL A  59
PHE A 122
THR A  37
 None
 1.34A 2pkkA-3d2zA:
undetectable		 2pkkA-3d2zA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkn PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Canis lupus) 		PF00344
(SecY) 		4 ALA A 176
VAL A  35
PHE A 173
THR A  30
 None
 1.40A 2pkkA-3dknA:
undetectable		 2pkkA-3dknA:
22.39
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.
3e4d ESTERASE D

(Agrobacterium
fabrum) 		PF00756
(Esterase) 		4 ALA A 169
VAL A 174
PHE A 215
THR A 155
 None
 1.21A 2pkkA-3e4dA:
2.3		 2pkkA-3e4dA:
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.
3e7f 6-PHOSPHOGLUCONOLACT
ONASE

(Trypanosoma
brucei) 		PF01182
(Glucosamine_iso) 		4 ALA A 218
VAL A 226
PHE A 253
THR A 166
 None
 1.49A 2pkkA-3e7fA:
undetectable		 2pkkA-3e7fA:
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.
3gaj COBALAMIN
ADENOSYLTRANSFERASE
PDUO-LIKE PROTEIN

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 ALA A 166
VAL A 126
PHE A 162
THR A  44
 None
 1.28A 2pkkA-3gajA:
undetectable		 2pkkA-3gajA:
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.
3ige SOC SMALL OUTER
CAPSID PROTEIN

(Escherichia
virus RB69) 		PF16855
(Soc) 		4 ALA A  69
VAL A  20
PHE A  71
THR A   9
 None
 1.42A 2pkkA-3igeA:
undetectable		 2pkkA-3igeA:
12.04
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.
3izk CHAPERONIN

(Methanococcus
maripaludis) 		PF00118
(Cpn60_TCP1) 		4 ALA A 408
VAL A  93
PHE A 405
THR A 478
 None
 1.07A 2pkkA-3izkA:
undetectable		 2pkkA-3izkA:
23.54
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.
3lif PUTATIVE DIGUANYLATE
CYCLASE (GGDEF) WITH
PAS/PAC DOMAIN

(Rhodopseudomonas
palustris) 		PF02743
(dCache_1) 		4 ALA A 117
VAL A 183
PHE A 181
THR A 122
 None
 1.44A 2pkkA-3lifA:
undetectable		 2pkkA-3lifA:
23.51
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		4 ALA A 253
VAL A 291
PHE A 256
THR A 294
 None
 1.36A 2pkkA-3menA:
undetectable		 2pkkA-3menA:
25.12
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.
3mix FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Bacillus
subtilis) 		PF00771
(FHIPEP) 		4 ALA A 572
VAL A 580
PHE A 571
THR A 631
 None
 1.21A 2pkkA-3mixA:
undetectable		 2pkkA-3mixA:
24.33
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.
3mmh METHIONINE-R-SULFOXI
DE REDUCTASE

(Neisseria
meningitidis) 		PF13185
(GAF_2) 		4 ALA A 153
VAL A 130
PHE A 122
THR A  94
 None
None
None
MRD  A 177 (-4.5A)
 1.40A 2pkkA-3mmhA:
undetectable		 2pkkA-3mmhA:
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.
3o0h GLUTATHIONE
REDUCTASE

(Bartonella
henselae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 115
VAL A  10
PHE A 117
THR A 141
 FAD  A 500 (-4.1A)
None
None
FAD  A 500 (-3.9A)
 1.40A 2pkkA-3o0hA:
2.7		 2pkkA-3o0hA:
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		4 ALA A 168
VAL A 171
PHE A 165
THR A 176
 None
4CT  A 233 ( 4.9A)
None
None
 1.28A 2pkkA-3o4vA:
3.0		 2pkkA-3o4vA:
25.08
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.
3qpc CUTINASE

(Fusarium solani) 		PF01083
(Cutinase) 		4 ALA A 123
VAL A 169
PHE A 147
THR A 144
 MIR  A 120 ( 2.9A)
None
None
None
 1.48A 2pkkA-3qpcA:
4.9		 2pkkA-3qpcA:
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.
3rr5 DNA LIGASE

(Thermococcus
sp. 1519) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ALA A 211
VAL A 197
PHE A 207
THR A 204
 None
 1.05A 2pkkA-3rr5A:
undetectable		 2pkkA-3rr5A:
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 ALA A 283
VAL A 412
PHE A 719
THR A 692
 None
 1.30A 2pkkA-3ue1A:
undetectable		 2pkkA-3ue1A:
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.
3ul3 THIOREDOXIN

(Plasmodium
falciparum) 		no annotation 4 ALA B 117
VAL B 108
PHE B 120
THR B 127
 None
 1.39A 2pkkA-3ul3B:
undetectable		 2pkkA-3ul3B:
15.06
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.
3woz CLIP-ASSOCIATING
PROTEIN 2

(Mus musculus) 		no annotation 4 ALA A 863
VAL A 817
PHE A 859
THR A 822
 None
 1.28A 2pkkA-3wozA:
undetectable		 2pkkA-3wozA:
19.54
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.
4amm DYNE8

(Micromonospora
chersina) 		PF00698
(Acyl_transf_1) 		4 ALA A 518
VAL A 481
PHE A 872
THR A 511
 None
 1.44A 2pkkA-4ammA:
undetectable		 2pkkA-4ammA:
25.47
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.
4efo SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		no annotation 4 ALA A 367
VAL A 310
PHE A 335
THR A 373
 None
 1.33A 2pkkA-4efoA:
undetectable		 2pkkA-4efoA:
16.01
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.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ALA A 212
VAL A 198
PHE A 208
THR A 205
 None
 1.16A 2pkkA-4eq5A:
undetectable		 2pkkA-4eq5A:
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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		4 ALA A 113
VAL A  26
PHE A 121
THR A  58
 None
 1.45A 2pkkA-4ex9A:
undetectable		 2pkkA-4ex9A:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4faj PRGZ

(Enterococcus
faecalis) 		PF00496
(SBP_bac_5) 		4 ALA A  66
VAL A  70
PHE A 274
THR A  85
 None
 1.34A 2pkkA-4fajA:
undetectable		 2pkkA-4fajA:
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.
4h09 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Eubacterium
ventriosum) 		PF13306
(LRR_5) 		4 ALA A  94
VAL A 140
PHE A  96
THR A 122
 EDO  A 505 ( 3.9A)
None
None
None
 1.41A 2pkkA-4h09A:
undetectable		 2pkkA-4h09A:
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.
4jlc SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Mus musculus) 		PF00069
(Pkinase) 		4 ALA A 367
VAL A 310
PHE A 335
THR A 373
 None
 1.27A 2pkkA-4jlcA:
undetectable		 2pkkA-4jlcA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		4 ALA A 334
VAL A 337
PHE A 142
THR A  28
 None
 1.38A 2pkkA-4jo0A:
undetectable		 2pkkA-4jo0A:
24.15
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		4 ALA A 175
VAL A 178
PHE A 172
THR A 100
 None
 1.31A 2pkkA-4l0mA:
3.1		 2pkkA-4l0mA:
22.25
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.
4maf ATP SULFURYLASE

(Glycine max) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ALA A 244
VAL A 347
PHE A 245
THR A 262
 None
ADX  A 900 (-4.1A)
ADX  A 900 (-4.4A)
None
 1.42A 2pkkA-4mafA:
undetectable		 2pkkA-4mafA:
23.57
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.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		4 ALA A 158
VAL A 187
PHE A 156
THR A 167
 None
 1.37A 2pkkA-4nv0A:
4.0		 2pkkA-4nv0A:
21.79
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.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		4 ALA A 140
VAL A   6
PHE A 101
THR A  28
 None
 1.40A 2pkkA-4pzkA:
undetectable		 2pkkA-4pzkA:
20.06
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ALA A3563
VAL A3425
PHE A3364
THR A3459
 None
 1.31A 2pkkA-4tktA:
undetectable		 2pkkA-4tktA:
23.04
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.
4wfh POTASSIUM CHANNEL
SUBFAMILY K MEMBER 4

(Homo sapiens) 		PF07885
(Ion_trans_2) 		4 ALA A 228
VAL A 210
PHE A 217
THR A 235
 None
 1.42A 2pkkA-4wfhA:
undetectable		 2pkkA-4wfhA:
23.78
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
no annotation 		4 ALA D 263
VAL D 328
PHE D 261
THR A 380
 FDA  A 501 ( 4.5A)
FDA  A 501 (-3.9A)
FDA  A 501 (-3.6A)
FDA  A 501 (-3.3A)
 1.24A 2pkkA-4x28D:
undetectable		 2pkkA-4x28D:
25.00
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.
4yn3 CUCUMISIN

(Cucumis melo) 		PF05922
(Inhibitor_I9) 		4 ALA B  44
VAL B  61
PHE B  43
THR B  64
 None
 1.31A 2pkkA-4yn3B:
undetectable		 2pkkA-4yn3B:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypt REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF08715
(Viral_protease) 		4 ALA A1674
VAL A1620
PHE A1679
THR A1616
 None
 1.41A 2pkkA-4yptA:
undetectable		 2pkkA-4yptA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 ALA I  20
VAL I  68
PHE I  93
THR I  54
 None
 1.36A 2pkkA-5b04I:
undetectable		 2pkkA-5b04I:
18.52
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.
5c98 AGAP007691-PB

(Anopheles
gambiae) 		PF00079
(Serpin) 		4 ALA A  66
VAL A 310
PHE A  62
THR A 325
 None
 1.24A 2pkkA-5c98A:
undetectable		 2pkkA-5c98A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d2j 4-OXALOCROTONATE
DECARBOXYLASE NAHK

(Pseudomonas
putida) 		no annotation 4 ALA A  42
VAL A 158
PHE A  39
THR A  31
 None
 1.28A 2pkkA-5d2jA:
undetectable		 2pkkA-5d2jA:
23.84
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		4 ALA A 690
VAL A 694
PHE A 534
THR A 665
 ADP  A 902 (-3.3A)
None
ADP  A 902 (-3.8A)
None
 1.41A 2pkkA-5e7pA:
undetectable		 2pkkA-5e7pA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS

(Mus musculus) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		4 ALA C 362
VAL C  99
PHE C 182
THR C  73
 None
 1.48A 2pkkA-5eg6C:
undetectable		 2pkkA-5eg6C:
20.27
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ALA A1282
VAL A1010
PHE A1280
THR A 937
 None
 1.25A 2pkkA-5epgA:
undetectable		 2pkkA-5epgA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o3j NUCLEOLYSIN TIA-1
ISOFORM P40

(Homo sapiens) 		PF00076
(RRM_1) 		4 ALA A  54
VAL A  46
PHE A  23
THR A  73
 None
 1.30A 2pkkA-5o3jA:
undetectable		 2pkkA-5o3jA:
17.70
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF01058
(Oxidored_q6)
PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		4 ALA E 250
VAL E 245
PHE E 293
THR A 639
 None
 1.34A 2pkkA-5odrE:
3.6		 2pkkA-5odrE:
23.14
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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		4 ALA A 351
VAL A 358
PHE A 354
THR A 316
 None
 1.49A 2pkkA-5te1A:
4.6		 2pkkA-5te1A:
18.77
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.
5ufy ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 4 ALA A 557
VAL A 570
PHE A 572
THR A 567
 None
 1.36A 2pkkA-5ufyA:
4.2		 2pkkA-5ufyA:
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.
5v36 GLUTATHIONE
REDUCTASE

(Streptococcus
mutans) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 115
VAL A   9
PHE A 117
THR A 139
 FAD  A 501 (-3.7A)
None
None
FAD  A 501 (-4.0A)
 1.44A 2pkkA-5v36A:
5.5		 2pkkA-5v36A:
21.20
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.
5vkp POTASSIUM CHANNEL
SUBFAMILY K MEMBER 2

(Mus musculus) 		PF07885
(Ion_trans_2) 		4 ALA A 241
VAL A 223
PHE A 230
THR A 248
 None
 1.46A 2pkkA-5vkpA:
undetectable		 2pkkA-5vkpA:
22.25
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 4 ALA A 137
VAL A 142
PHE A 132
THR A 113
 None
None
SAH  A 301 (-4.5A)
None
 1.33A 2pkkA-5w7mA:
3.1		 2pkkA-5w7mA:
14.74
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.
5wfi -

(-) 		no annotation 4 ALA A1674
VAL A1620
PHE A1679
THR A1616
 None
 1.37A 2pkkA-5wfiA:
undetectable		 2pkkA-5wfiA:
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.
5wql TAIL-SPECIFIC
PROTEASE

(Escherichia
coli) 		no annotation 4 ALA C 399
VAL C 404
PHE C 365
THR C 370
 None
 1.24A 2pkkA-5wqlC:
undetectable		 2pkkA-5wqlC:
19.33
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.
5y6i -

(-) 		no annotation 4 ALA A 224
VAL A 226
PHE A 217
THR A 252
 None
 1.17A 2pkkA-5y6iA:
undetectable		 2pkkA-5y6iA:
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.
5yw5 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Francisella
tularensis) 		no annotation 4 ALA A 144
VAL A 146
PHE A 113
THR A  55
 None
 1.23A 2pkkA-5yw5A:
undetectable		 2pkkA-5yw5A:
17.89
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 4 ALA A 654
VAL A 566
PHE A 624
THR A 155
 None
 1.42A 2pkkA-5z9sA:
3.1		 2pkkA-5z9sA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 4 ALA A 370
VAL A 339
PHE A 371
THR A 347
 None
 1.31A 2pkkA-6b0kA:
undetectable		 2pkkA-6b0kA:
15.03
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.
6b4o GLUTATHIONE
REDUCTASE

(Enterococcus
faecalis) 		no annotation 4 ALA A 114
VAL A   8
PHE A 116
THR A 138
 FAD  A 501 (-4.0A)
None
None
FAD  A 501 (-3.9A)
 1.48A 2pkkA-6b4oA:
undetectable		 2pkkA-6b4oA:
20.91
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 ALA A2631
VAL A2627
PHE A2649
THR A2611
 None
 1.36A 2pkkA-6fb3A:
undetectable		 2pkkA-6fb3A:
14.47
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.
6grw -

(-) 		no annotation 4 ALA A 113
VAL A  83
PHE A 107
THR A 104
 None
 1.41A 2pkkA-6grwA:
3.0		 2pkkA-6grwA:
undetectable