SIMILAR PATTERNS OF AMINO ACIDS FOR 1HK2_A_T44A3003_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.
1biu HIV-1 INTEGRASE

(Human
immunodeficiency
virus 1)
PF00665
(rve)
4 ILE A 161
LYS A 186
LYS A 185
ALA A 196
None
1.12A 1hk2A-1biuA:
0.9
1hk2A-1biuA:
14.75
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.
1chk CHITOSANASE

(Streptomyces
sp. N174)
PF01374
(Glyco_hydro_46)
4 PHE A 141
LYS A  10
LYS A  11
ALA A  14
None
0.64A 1hk2A-1chkA:
0.0
1hk2A-1chkA:
17.41
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.
1e96 NEUTROPHIL CYTOSOL
FACTOR 2 (NCF-2) TPR
DOMAIN, RESIDUES
1-203


(Homo sapiens)
PF07719
(TPR_2)
PF13181
(TPR_8)
4 ILE B  91
LYS B 134
LYS B 133
ALA B 132
None
1.15A 1hk2A-1e96B:
1.4
1hk2A-1e96B:
18.51
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
4 PHE B 334
ILE B 328
ALA B 335
MET B 315
None
1.27A 1hk2A-1e9yB:
0.0
1hk2A-1e9yB:
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.
1ex4 INTEGRASE

(Human
immunodeficiency
virus 1)
PF00552
(IN_DBD_C)
PF00665
(rve)
4 ILE A 161
LYS A 186
LYS A 185
ALA A 196
None
1.26A 1hk2A-1ex4A:
undetectable
1hk2A-1ex4A:
17.40
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.
1hn0 CHONDROITIN ABC
LYASE I


(Proteus
vulgaris)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt)
4 PHE A 722
ILE A 975
ALA A 923
MET A 734
None
1.20A 1hk2A-1hn0A:
2.3
1hk2A-1hn0A:
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE


(Methanocaldococcus
jannaschii)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
4 PHE A 296
ILE A 294
LYS A 298
ALA A 300
None
1.13A 1hk2A-1hygA:
0.0
1hk2A-1hygA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i5e URACIL
PHOSPHORIBOSYLTRANSF
ERASE


([Bacillus]
caldolyticus)
PF14681
(UPRTase)
4 PHE A 127
ILE A 100
LYS A 148
ALA A 152
None
1.26A 1hk2A-1i5eA:
0.7
1hk2A-1i5eA:
16.20
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.
1j5w GLYCYL-TRNA
SYNTHETASE ALPHA
CHAIN


(Thermotoga
maritima)
PF02091
(tRNA-synt_2e)
4 PHE A  40
ILE A 148
LYS A 270
ALA A 271
None
1.07A 1hk2A-1j5wA:
3.3
1hk2A-1j5wA:
19.06
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB


(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
4 PHE A 185
LYS A 127
ALA A 130
MET A 111
None
1.26A 1hk2A-1ji6A:
2.1
1hk2A-1ji6A:
21.91
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.
1ldj CULLIN HOMOLOG 1

(Homo sapiens)
PF00888
(Cullin)
PF10557
(Cullin_Nedd8)
4 PHE A 462
ILE A 703
ALA A 423
MET A 469
None
1.27A 1hk2A-1ldjA:
0.9
1hk2A-1ldjA:
22.90
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.
1pv9 XAA-PRO DIPEPTIDASE

(Pyrococcus
furiosus)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
4 PHE A  21
ILE A 114
LYS A  24
ALA A  23
None
1.15A 1hk2A-1pv9A:
undetectable
1hk2A-1pv9A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (LARGE CHAIN)


(Synechococcus
elongatus)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
4 PHE A 311
ILE A 309
LYS A 316
ALA A 315
None
1.15A 1hk2A-1rblA:
undetectable
1hk2A-1rblA:
21.84
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.
1rlk HYPOTHETICAL PROTEIN
TA0108


(Thermoplasma
acidophilum)
PF01981
(PTH2)
4 PHE A  43
ILE A  38
ALA A  32
MET A   5
None
1.24A 1hk2A-1rlkA:
undetectable
1hk2A-1rlkA:
12.97
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.
1s29 LA PROTEIN

(Trypanosoma
brucei)
PF05383
(La)
4 ILE A  31
LYS A  34
LYS A  36
ALA A  38
None
1.23A 1hk2A-1s29A:
undetectable
1hk2A-1s29A:
11.50
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.
1ti8 HEMAGGLUTININ

(Influenza A
virus)
PF00509
(Hemagglutinin)
4 PHE A 251
ILE A 130
LYS A 152
ALA A 253
None
1.26A 1hk2A-1ti8A:
undetectable
1hk2A-1ti8A:
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.
1u0l PROBABLE GTPASE ENGC

(Thermotoga
maritima)
PF03193
(RsgA_GTPase)
PF16745
(RsgA_N)
4 PHE A 225
ILE A 230
LYS A 107
ALA A 105
None
1.22A 1hk2A-1u0lA:
undetectable
1hk2A-1u0lA:
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.
1u5s PINCH PROTEIN

(Homo sapiens)
PF00412
(LIM)
4 PHE B 103
ILE B  86
LYS B  96
ALA B  93
None
1.07A 1hk2A-1u5sB:
undetectable
1hk2A-1u5sB:
10.04
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE


(Bacillus
coagulans)
PF00180
(Iso_dh)
4 PHE A 272
LYS A   4
ALA A  68
MET A 303
None
1.15A 1hk2A-1v5bA:
undetectable
1hk2A-1v5bA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6g ACTIN BINDING LIM
PROTEIN 2


(Homo sapiens)
PF00412
(LIM)
4 PHE A  42
ILE A  25
LYS A  35
ALA A  32
None
1.21A 1hk2A-1v6gA:
undetectable
1hk2A-1v6gA:
8.60
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.
1whu 3'-5' RNA
EXONUCLEASE
POLYNUCLEOTIDE
PHOSPHORYLASE


(Mus musculus)
PF03726
(PNPase)
4 PHE A 341
ILE A 284
LYS A 289
ALA A 292
None
1.27A 1hk2A-1whuA:
2.3
1hk2A-1whuA:
10.14
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.
2atm HYALURONOGLUCOSAMINI
DASE


(Vespula
vulgaris)
PF01630
(Glyco_hydro_56)
4 PHE A  87
LYS A 170
LYS A 169
ALA A 168
None
1.11A 1hk2A-2atmA:
2.5
1hk2A-2atmA:
20.31
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.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE


(Bacillus
circulans)
PF01761
(DHQ_synthase)
4 PHE A 220
ILE A 218
LYS A 225
ALA A 224
None
1.20A 1hk2A-2d2xA:
1.3
1hk2A-2d2xA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium)
PF00232
(Glyco_hydro_1)
4 PHE A 147
ILE A  86
LYS A 152
ALA A 151
None
1.18A 1hk2A-2e3zA:
undetectable
1hk2A-2e3zA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fiy PROTEIN FDHE HOMOLOG

(Pseudomonas
aeruginosa)
PF04216
(FdhE)
4 PHE A 266
ILE A 197
ALA A 276
MET A 193
None
1.27A 1hk2A-2fiyA:
undetectable
1hk2A-2fiyA:
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.
2gvh AGR_L_2016P

(Agrobacterium
fabrum)
PF03061
(4HBT)
4 PHE A 200
ILE A 242
ALA A 170
MET A 165
None
1.15A 1hk2A-2gvhA:
undetectable
1hk2A-2gvhA:
18.64
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.
2iee PROBABLE ABC
TRANSPORTER
EXTRACELLULAR-BINDIN
G PROTEIN YCKB


(Bacillus
subtilis)
PF00497
(SBP_bac_3)
4 ILE A 124
LYS A 133
ALA A 135
MET A 144
None
1.00A 1hk2A-2ieeA:
undetectable
1hk2A-2ieeA:
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.
2jjm GLYCOSYL
TRANSFERASE, GROUP 1
FAMILY PROTEIN


(Bacillus
anthracis)
PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4)
4 PHE A 220
ILE A 202
LYS A 199
ALA A 229
None
1.18A 1hk2A-2jjmA:
undetectable
1hk2A-2jjmA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okl PEPTIDE DEFORMYLASE
2


(Bacillus cereus)
PF01327
(Pep_deformylase)
4 ILE A 155
LYS A  71
ALA A  63
MET A  37
None
1.15A 1hk2A-2oklA:
undetectable
1hk2A-2oklA:
14.09
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.
2ppv UNCHARACTERIZED
PROTEIN


(Staphylococcus
epidermidis)
PF01933
(UPF0052)
4 PHE A 158
ILE A 192
ALA A 133
MET A 135
None
1.26A 1hk2A-2ppvA:
undetectable
1hk2A-2ppvA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2h SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE


(Agrobacterium
fabrum)
PF01588
(tRNA_bind)
4 PHE A  26
ILE A  53
LYS A  31
ALA A  29
None
1.14A 1hk2A-2q2hA:
undetectable
1hk2A-2q2hA:
10.75
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.
3ag6 PANTOTHENATE
SYNTHETASE


(Staphylococcus
aureus)
PF02569
(Pantoate_ligase)
4 PHE A 262
LYS A 149
LYS A 150
ALA A 152
None
1.15A 1hk2A-3ag6A:
undetectable
1hk2A-3ag6A:
18.29
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.
3akk CTKA

(Helicobacter
pylori)
PF07804
(HipA_C)
4 PHE A 100
ILE A 132
ALA A 125
MET A 107
None
1.19A 1hk2A-3akkA:
undetectable
1hk2A-3akkA:
17.52
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR


(Homo sapiens)
PF00856
(SET)
PF05033
(Pre-SET)
4 PHE A 150
ILE A 223
LYS A 229
ALA A 231
None
1.25A 1hk2A-3bo5A:
undetectable
1hk2A-3bo5A:
18.51
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.
3btp SINGLE-STRAND
DNA-BINDING PROTEIN


(Agrobacterium
fabrum)
PF07229
(VirE2)
4 ILE A 305
LYS A 296
LYS A 298
ALA A 294
None
1.27A 1hk2A-3btpA:
undetectable
1hk2A-3btpA:
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.
3evr MYOSIN LIGHT CHAIN
KINASE, GREEN
FLUORESCENT PROTEIN,
CALMODULIN-1 CHIMERA


(Aequorea
victoria;
Rattus
norvegicus)
PF01353
(GFP)
PF13499
(EF-hand_7)
4 PHE A 322
ILE A 355
ALA A  53
MET A 375
None
1.18A 1hk2A-3evrA:
undetectable
1hk2A-3evrA:
20.81
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C)
4 PHE A1335
ILE A1189
ALA A1186
MET A1377
None
0.98A 1hk2A-3hmjA:
2.3
1hk2A-3hmjA:
15.47
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1


(Saccharomyces
cerevisiae)
PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4)
4 LYS A 484
LYS A 485
ALA A 488
MET A 303
None
1.10A 1hk2A-3kt4A:
undetectable
1hk2A-3kt4A:
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.
3loy COPPER AMINE OXIDASE

(Ogataea angusta)
PF01179
(Cu_amine_oxid)
4 PHE A 179
ILE A 106
ALA A 113
MET A 156
None
1.14A 1hk2A-3loyA:
undetectable
1hk2A-3loyA:
20.41
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.
3qay ENDOLYSIN

(Clostridium
virus phiCD27)
PF01520
(Amidase_3)
4 PHE A 119
LYS A 159
LYS A 158
ALA A 157
None
1.22A 1hk2A-3qayA:
undetectable
1hk2A-3qayA:
14.51
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.
3r4z GLYCOSYL HYDROLASE
FAMILY 32, N
TERMINAL


(Saccharophagus
degradans)
PF04616
(Glyco_hydro_43)
4 PHE A 126
ILE A  49
LYS A  91
ALA A 124
None
1.19A 1hk2A-3r4zA:
undetectable
1hk2A-3r4zA:
18.58
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 PHE A  79
ILE A 155
LYS A 363
ALA A 366
None
1.23A 1hk2A-3ramA:
undetectable
1hk2A-3ramA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rze HISTAMINE H1
RECEPTOR, LYSOZYME
CHIMERA


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
4 PHE A 432
ILE A 438
LYS A 191
ALA A 195
5EH  A1200 ( 4.3A)
None
PO4  A1202 (-3.0A)
D7V  A1201 ( 4.7A)
1.18A 1hk2A-3rzeA:
undetectable
1hk2A-3rzeA:
20.57
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.
3tca AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER
1-INTERACTING
PROTEIN


(Mus musculus)
PF00169
(PH)
PF00788
(RA)
4 ILE A 371
LYS A 376
LYS A 374
ALA A 379
None
1.21A 1hk2A-3tcaA:
undetectable
1hk2A-3tcaA:
20.17
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.
3tg1 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10


(Homo sapiens)
PF00581
(Rhodanese)
4 PHE B 276
ILE B 234
LYS B 157
ALA B 156
None
1.27A 1hk2A-3tg1B:
undetectable
1hk2A-3tg1B:
12.62
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 PHE A  84
ILE A   7
ALA A  57
MET A  76
None
1.24A 1hk2A-3tz6A:
undetectable
1hk2A-3tz6A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0k RCAMP

(Entacmaea
quadricolor)
PF01353
(GFP)
PF13499
(EF-hand_7)
4 PHE A 313
ILE A 346
ALA A  52
MET A 366
None
1.24A 1hk2A-3u0kA:
undetectable
1hk2A-3u0kA:
18.87
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus)
PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD)
4 ILE A 897
LYS A 809
ALA A 834
MET A 799
None
1.19A 1hk2A-3wqyA:
undetectable
1hk2A-3wqyA:
22.73
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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE


(Pseudomonas
aeruginosa)
no annotation 4 ILE A 192
LYS A 187
ALA A 186
MET A 156
None
1.11A 1hk2A-4as3A:
undetectable
1hk2A-4as3A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9


(Homo sapiens)
PF11979
(DUF3480)
4 PHE A1343
ILE A1400
ALA A1377
MET A1389
None
1.12A 1hk2A-4bkwA:
undetectable
1hk2A-4bkwA:
19.81
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.
4blf SINGLE-STRAND
DNA-BINDING PROTEIN


(Agrobacterium
tumefaciens)
PF07229
(VirE2)
4 ILE A 305
LYS A 296
LYS A 298
ALA A 294
None
1.27A 1hk2A-4blfA:
undetectable
1hk2A-4blfA:
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE


(Thermotoga
maritima)
PF13597
(NRDD)
4 PHE A 490
ILE A 438
LYS A 403
ALA A 406
None
1.19A 1hk2A-4conA:
undetectable
1hk2A-4conA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4erv RYANODINE RECEPTOR 3

(Homo sapiens)
PF02026
(RyR)
4 PHE A2598
LYS A2752
LYS A2751
ALA A2748
None
None
SO4  A2901 (-3.0A)
None
1.21A 1hk2A-4ervA:
undetectable
1hk2A-4ervA:
17.71
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.
4euf PUTATIVE REDUCTASE
CA_C0462


(Clostridium
acetobutylicum)
PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b)
4 PHE A  94
ILE A  92
LYS A  99
ALA A  98
None
1.19A 1hk2A-4eufA:
undetectable
1hk2A-4eufA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1


(Homo sapiens)
PF00069
(Pkinase)
4 PHE A 295
LYS A 196
LYS A 197
ALA A 200
None
0.99A 1hk2A-4eutA:
undetectable
1hk2A-4eutA:
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.
4eyv PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE


(Serendipita
indica)
PF00160
(Pro_isomerase)
4 PHE A  36
ILE A  78
LYS A  41
ALA A  40
None
0.98A 1hk2A-4eyvA:
undetectable
1hk2A-4eyvA:
13.75
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.
4fhn NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe)
PF11715
(Nup160)
4 PHE B 349
ILE B 332
LYS B 313
ALA B 298
None
1.16A 1hk2A-4fhnB:
undetectable
1hk2A-4fhnB:
20.02
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.
4gtn ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE


(Acinetobacter
sp. ADP1)
PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
4 PHE A 359
ILE A 151
LYS A 361
LYS A 364
None
1.15A 1hk2A-4gtnA:
undetectable
1hk2A-4gtnA:
19.04
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.
4i2y RGECO1

(Discosoma sp.;
Gallus gallus;
Rattus
norvegicus)
PF01353
(GFP)
PF13499
(EF-hand_7)
4 PHE A 322
ILE A 355
ALA A  52
MET A 375
None
1.15A 1hk2A-4i2yA:
undetectable
1hk2A-4i2yA:
19.70
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.
4ily CHITOSANASE

(Streptomyces
sp. SirexAA-E)
PF01374
(Glyco_hydro_46)
4 PHE A 193
LYS A  62
LYS A  63
ALA A  66
None
0.65A 1hk2A-4ilyA:
undetectable
1hk2A-4ilyA:
16.49
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Rickettsia
rickettsii)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
4 ILE A 404
LYS A 401
LYS A 400
ALA A 399
None
1.23A 1hk2A-4jgaA:
undetectable
1hk2A-4jgaA:
21.18
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.
4k2n ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE


(Magnetospirillum
magneticum)
PF00378
(ECH_1)
4 PHE A 131
ILE A 150
LYS A 177
ALA A 174
None
1.16A 1hk2A-4k2nA:
undetectable
1hk2A-4k2nA:
19.76
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.
4kvg AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER
1-INTERACTING
PROTEIN


(Mus musculus)
PF00169
(PH)
PF00788
(RA)
4 ILE B 371
LYS B 376
LYS B 374
ALA B 379
None
1.13A 1hk2A-4kvgB:
undetectable
1hk2A-4kvgB:
19.15
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.
4kw2 UNCHARACTERIZED
PROTEIN


(Parabacteroides
distasonis)
PF01261
(AP_endonuc_2)
4 PHE A 115
LYS A 121
ALA A 119
MET A 148
None
1.25A 1hk2A-4kw2A:
undetectable
1hk2A-4kw2A:
18.76
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.
4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT


(Rhodoferax
ferrireducens)
PF03480
(DctP)
4 PHE A  46
LYS A 281
LYS A 280
ALA A 279
None
0.94A 1hk2A-4mcoA:
undetectable
1hk2A-4mcoA:
19.60
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.
4nk5 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]


(Candidatus
Liberibacter
asiaticus)
PF13561
(adh_short_C2)
4 PHE A  38
ILE A  45
LYS A  50
ALA A  53
None
0.99A 1hk2A-4nk5A:
undetectable
1hk2A-4nk5A:
16.61
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.
4nxk ABP, A GH27
BETA-L-ARABINOPYRANO
SIDASE


(Geobacillus
stearothermophilus)
PF16499
(Melibiase_2)
4 PHE A 324
ILE A 322
ALA A 285
MET A 266
None
1.17A 1hk2A-4nxkA:
undetectable
1hk2A-4nxkA:
22.17
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE


(Streptococcus
pyogenes)
PF00171
(Aldedh)
4 ILE A 186
LYS A 155
ALA A 127
MET A 152
None
NAP  A 501 (-2.7A)
None
None
1.17A 1hk2A-4ohtA:
undetectable
1hk2A-4ohtA:
21.90
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.
4owt INTEGRATOR COMPLEX
SUBUNIT 3


(Homo sapiens)
PF10189
(Ints3)
4 PHE A 235
ILE A 216
ALA A 208
MET A 168
None
1.23A 1hk2A-4owtA:
undetectable
1hk2A-4owtA:
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae)
PF07859
(Abhydrolase_3)
4 PHE A 269
ILE A 283
LYS A 287
ALA A 289
None
1.25A 1hk2A-4p9nA:
undetectable
1hk2A-4p9nA:
18.29
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.
4pz0 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN


(Bacillus
anthracis)
PF13407
(Peripla_BP_4)
4 PHE A  86
LYS A  35
ALA A  37
MET A  95
None
1.26A 1hk2A-4pz0A:
undetectable
1hk2A-4pz0A:
18.38
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE


(Escherichia
coli)
PF02446
(Glyco_hydro_77)
4 PHE A 222
ILE A 214
LYS A 259
ALA A 262
None
1.25A 1hk2A-4s3pA:
undetectable
1hk2A-4s3pA:
21.93
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.
4wd3 L-AMINO ACID LIGASE

(Bacillus
subtilis)
PF13535
(ATP-grasp_4)
4 ILE A 282
LYS A 115
LYS A 117
ALA A 113
None
1.06A 1hk2A-4wd3A:
undetectable
1hk2A-4wd3A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x2x NS6 PROTEASE

(Norwalk virus)
PF05416
(Peptidase_C37)
4 PHE A  12
ILE A  26
LYS A  29
ALA A  32
None
1.27A 1hk2A-4x2xA:
undetectable
1hk2A-4x2xA:
14.38
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.
4xe7 UNCHARACTERIZED
PROTEIN


(Bacillus
thuringiensis)
no annotation 4 PHE A 246
ILE A 234
LYS A 366
ALA A 364
None
1.02A 1hk2A-4xe7A:
undetectable
1hk2A-4xe7A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhp PARM HYBRID FUSION
PROTEIN


(Bacillus
thuringiensis)
no annotation 4 PHE A 689
ILE A 677
LYS A 809
ALA A 807
None
0.95A 1hk2A-4xhpA:
undetectable
1hk2A-4xhpA:
22.71
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.
4yis MEGANUCLEASE I-CPAMI

(Cryphonectria
parasitica)
PF00961
(LAGLIDADG_1)
4 PHE A 242
ILE A 249
LYS A 270
ALA A 273
None
1.14A 1hk2A-4yisA:
undetectable
1hk2A-4yisA:
20.17
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.
5abm RETINAL
DEHYDROGENASE 1


(Ovis aries)
PF00171
(Aldedh)
4 PHE A 386
ILE A 407
ALA A 365
MET A 393
None
1.23A 1hk2A-5abmA:
undetectable
1hk2A-5abmA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE


(Bacillus
subtilis)
PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4)
4 PHE A 221
ILE A 203
LYS A 200
ALA A 230
None
1.24A 1hk2A-5d01A:
undetectable
1hk2A-5d01A:
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.
5eqv BIFUNCTIONAL
2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
PERIPLASMIC
PRECURSOR PROTEIN


(Yersinia pestis)
PF00149
(Metallophos)
4 PHE A 187
LYS A 215
LYS A 214
ALA A 213
None
None
PGE  A 407 (-2.7A)
None
1.24A 1hk2A-5eqvA:
undetectable
1hk2A-5eqvA:
20.14
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.
5h4e BETA 1-3 GLUCANASE

(Clostridium
beijerinckii)
no annotation 4 PHE A 478
ILE A 506
LYS A 518
MET A 530
None
1.13A 1hk2A-5h4eA:
undetectable
1hk2A-5h4eA:
18.86
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.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057


(Thermoplasma
acidophilum)
PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2)
4 PHE A 285
ILE A 280
ALA A 264
MET A 292
None
1.10A 1hk2A-5h8wA:
undetectable
1hk2A-5h8wA:
22.92
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.
5i10 PROBABLE
O-METHYLTRANSFERASE


(Saccharopolyspora
spinosa)
PF05711
(TylF)
4 ILE A 236
LYS A 224
ALA A 222
MET A 193
None
1.09A 1hk2A-5i10A:
undetectable
1hk2A-5i10A:
17.93
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.
5kl0 PHOSPHOGLUCOMUTASE

(Xanthomonas
citri)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
4 PHE A 103
ILE A 204
LYS A 171
ALA A 173
None
1.22A 1hk2A-5kl0A:
undetectable
1hk2A-5kl0A:
22.35
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.
5lpn RAS-RELATED PROTEIN
RAB-10


(Homo sapiens)
PF00071
(Ras)
4 PHE A 149
ILE A 157
ALA A 162
MET A  86
None
1.14A 1hk2A-5lpnA:
undetectable
1hk2A-5lpnA:
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2


(Saccharomyces
cerevisiae)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
4 PHE A1568
ILE A1605
LYS A1600
ALA A1597
None
1.21A 1hk2A-5m5pA:
undetectable
1hk2A-5m5pA:
15.69
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.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN


(Rhodobacter
sphaeroides)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
4 PHE A 312
ILE A 310
LYS A 317
ALA A 316
None
1.17A 1hk2A-5nv3A:
undetectable
1hk2A-5nv3A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oqr CONDENSIN COMPLEX
SUBUNIT 3


(Schizosaccharomyces
pombe)
no annotation 4 PHE A 302
ILE A 362
ALA A 314
MET A 333
None
1.22A 1hk2A-5oqrA:
undetectable
1hk2A-5oqrA:
22.62
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.
5szj RAS-RELATED PROTEIN
RAB-10


(Homo sapiens)
PF00071
(Ras)
4 PHE A 149
ILE A 157
ALA A 162
MET A  86
None
1.15A 1hk2A-5szjA:
undetectable
1hk2A-5szjA:
17.53
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.
5tgf UNCHARACTERIZED
PROTEIN


(Bacteroides
dorei)
PF00144
(Beta-lactamase)
4 PHE A 167
LYS A  61
ALA A  64
MET A 152
None
GOL  A 401 ( 4.3A)
None
None
1.20A 1hk2A-5tgfA:
undetectable
1hk2A-5tgfA:
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.
5tsh TYPE IV PILUS
BIOGENESIS ATPASE
PILB


(Geobacter
metallireducens)
PF00437
(T2SSE)
4 PHE A 383
ILE A 404
ALA A 352
MET A 368
None
1.09A 1hk2A-5tshA:
undetectable
1hk2A-5tshA:
22.27
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.
5uaz NUCLEOPORIN NUP53

(Saccharomyces
cerevisiae)
no annotation 4 PHE A 270
ILE A 276
LYS A 324
ALA A 327
None
0.83A 1hk2A-5uazA:
undetectable
1hk2A-5uazA:
8.11
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.
5v6t PLEXIN-D1

(Mus musculus)
PF08337
(Plexin_cytopl)
4 PHE A1413
LYS A1879
LYS A1882
ALA A1881
None
1.15A 1hk2A-5v6tA:
undetectable
1hk2A-5v6tA:
23.36
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.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC


(Homo sapiens)
no annotation 4 PHE A 176
ILE A 198
LYS A  85
ALA A  89
None
1.17A 1hk2A-5w6mA:
undetectable
1hk2A-5w6mA:
8.85
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.
5wol 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE


(Coxiella
burnetii)
PF01113
(DapB_N)
PF05173
(DapB_C)
4 ILE A 130
LYS A 119
ALA A 122
MET A 156
None
1.20A 1hk2A-5wolA:
undetectable
1hk2A-5wolA:
16.64
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.
5xyi UNCHARACTERIZED
PROTEIN


(Trichomonas
vaginalis)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C)
4 PHE C 225
ILE C 116
LYS C 201
ALA C 199
None
1.19A 1hk2A-5xyiC:
undetectable
1hk2A-5xyiC:
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.
5yxe SERUM ALBUMIN

(Felis catus)
no annotation 4 PHE A 507
LYS A 525
ALA A 528
MET A 548
None
0.93A 1hk2A-5yxeA:
46.2
1hk2A-5yxeA:
11.11
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.
6b5i RETINAL
DEHYDROGENASE 2


(Homo sapiens)
no annotation 4 PHE A 404
ILE A 425
ALA A 383
MET A 411
None
1.17A 1hk2A-6b5iA:
undetectable
1hk2A-6b5iA:
7.67
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B


(Homo sapiens)
no annotation 4 ILE A 475
LYS A 635
ALA A 637
MET A 655
None
1.10A 1hk2A-6ek6A:
undetectable
1hk2A-6ek6A:
7.86
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.
6g3u -

(-)
no annotation 4 PHE A 111
ILE A  49
LYS A 129
ALA A 128
None
1.26A 1hk2A-6g3uA:
undetectable
1hk2A-6g3uA:
undetectable