SIMILAR PATTERNS OF AMINO ACIDS FOR 3HGX_A_SALA102

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.
1bhq CD11B

(Homo sapiens)
PF00092
(VWA)
4 VAL 1 160
ILE 1 269
ILE 1 308
GLN 1 309
None
1.04A 3hgxA-1bhq1:
undetectable
3hgxA-1bhq1:
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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri)
PF01804
(Penicil_amidase)
4 VAL A 132
MET B 152
ILE A  90
TYR A  94
None
1.00A 3hgxA-1cp9A:
undetectable
3hgxA-1cp9A:
17.07
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.
1eke RIBONUCLEASE HII

(Methanocaldococcus
jannaschii)
PF01351
(RNase_HII)
4 VAL A 154
ILE A 109
TYR A 110
ILE A   6
None
1.02A 3hgxA-1ekeA:
undetectable
3hgxA-1ekeA:
18.34
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.
1h2h HYPOTHETICAL PROTEIN
TM1643


(Thermotoga
maritima)
PF01958
(DUF108)
PF03447
(NAD_binding_3)
4 VAL A  49
ILE A  24
TYR A  25
ILE A   5
None
1.01A 3hgxA-1h2hA:
undetectable
3hgxA-1h2hA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i3g ANTIBODY FV FRAGMENT

(Mus musculus)
PF07686
(V-set)
4 ARG H 108
VAL H   2
TYR H  29
GLN H   1
None
1.05A 3hgxA-1i3gH:
undetectable
3hgxA-1i3gH:
17.39
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.
1ia7 CELLULASE CEL9M

([Clostridium]
cellulolyticum)
PF00759
(Glyco_hydro_9)
4 VAL A 390
ILE A 340
TYR A 350
ILE A 351
None
0.90A 3hgxA-1ia7A:
undetectable
3hgxA-1ia7A:
13.65
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.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN


(Acidianus
ambivalens)
PF00448
(SRP54)
PF02881
(SRP54_N)
4 VAL F 216
ILE F 211
TYR F 208
ILE F 207
None
0.95A 3hgxA-1j8mF:
undetectable
3hgxA-1j8mF:
15.12
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.
1kcw CERULOPLASMIN

(Homo sapiens)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
4 ILE A 803
TYR A 716
ILE A 717
GLN A 767
None
0.93A 3hgxA-1kcwA:
undetectable
3hgxA-1kcwA:
7.23
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.
1kkc MANGANESE SUPEROXIDE
DISMUTASE


(Aspergillus
fumigatus)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 MET A  37
ILE A  32
TYR A  31
ILE A 195
None
1.04A 3hgxA-1kkcA:
1.9
3hgxA-1kkcA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lcy HTRA2 SERINE
PROTEASE


(Homo sapiens)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
4 VAL A 319
MET A 233
ILE A 280
ILE A 283
None
0.95A 3hgxA-1lcyA:
undetectable
3hgxA-1lcyA:
15.41
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.
1o0w RIBONUCLEASE III

(Thermotoga
maritima)
PF00035
(dsrm)
PF14622
(Ribonucleas_3_3)
4 VAL A  93
ILE A 157
TYR A 156
ILE A 160
None
0.82A 3hgxA-1o0wA:
undetectable
3hgxA-1o0wA:
17.46
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE


(Escherichia
coli)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
4 VAL A  55
MET A 306
ILE A 244
ILE A 210
None
1.05A 3hgxA-1ps9A:
undetectable
3hgxA-1ps9A:
11.01
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.
1psy 2S ALBUMIN

(Ricinus
communis)
PF00234
(Tryp_alpha_amyl)
4 ARG A  19
VAL A  22
TYR A  84
ILE A  82
None
1.03A 3hgxA-1psyA:
2.3
3hgxA-1psyA:
18.18
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.
1q67 DECAPPING PROTEIN
INVOLVED IN MRNA
DEGRADATION-DCP1P


(Saccharomyces
cerevisiae)
PF06058
(DCP1)
4 VAL A 186
ILE A 218
TYR A 215
ILE A 214
None
0.89A 3hgxA-1q67A:
undetectable
3hgxA-1q67A:
16.88
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.
1r3n BETA-ALANINE
SYNTHASE


(Lachancea
kluyveri)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 ARG A  74
VAL A  90
TYR A 206
ILE A 207
None
0.97A 3hgxA-1r3nA:
undetectable
3hgxA-1r3nA:
12.53
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.
1z2z PROBABLE TRNA
PSEUDOURIDINE
SYNTHASE D


(Methanosarcina
mazei)
PF01142
(TruD)
4 ILE A 281
TYR A 278
ILE A 277
GLN A 274
None
1.00A 3hgxA-1z2zA:
undetectable
3hgxA-1z2zA:
12.50
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.
2a9f PUTATIVE MALIC
ENZYME
((S)-MALATE:NAD+
OXIDOREDUCTASE
(DECARBOXYLATING))


(Streptococcus
pyogenes)
PF00390
(malic)
PF03949
(Malic_M)
4 VAL A 308
MET A 279
ILE A 276
ILE A 295
None
0.97A 3hgxA-2a9fA:
undetectable
3hgxA-2a9fA:
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.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE


(Ruminiclostridium
thermocellum)
PF01522
(Polysacc_deac_1)
4 ILE A 526
TYR A 568
ILE A 565
GLN A 566
None
1.01A 3hgxA-2c79A:
undetectable
3hgxA-2c79A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dnt CHROMODOMAIN
PROTEIN, Y
CHROMOSOME-LIKE,
ISOFORM B


(Homo sapiens)
PF00385
(Chromo)
4 VAL A  16
ILE A  59
TYR A  58
ILE A  19
None
1.03A 3hgxA-2dntA:
undetectable
3hgxA-2dntA:
18.18
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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE


(Pyrococcus
horikoshii)
PF00390
(malic)
PF03949
(Malic_M)
4 VAL A 315
MET A 286
ILE A 283
ILE A 302
None
1.03A 3hgxA-2dvmA:
undetectable
3hgxA-2dvmA:
13.44
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE


(Sulfurisphaera
tokodaii)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
4 VAL A 234
ILE A 199
TYR A 200
ILE A 177
None
1.01A 3hgxA-2f7lA:
undetectable
3hgxA-2f7lA:
12.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB


(Pseudomonas
aeruginosa)
PF01817
(CM_2)
5 ARG A  31
MET A  57
ILE A  83
ILE A  87
GLN A  90
NO3  A 100 (-2.8A)
NO3  A 100 (-3.5A)
NO3  A 100 (-3.7A)
None
None
0.44A 3hgxA-2h9cA:
12.6
3hgxA-2h9cA:
98.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hae MALATE
OXIDOREDUCTASE


(Thermotoga
maritima)
PF00390
(malic)
PF03949
(Malic_M)
4 VAL A 301
MET A 272
ILE A 269
ILE A 288
None
0.98A 3hgxA-2haeA:
undetectable
3hgxA-2haeA:
13.73
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.
2p9j HYPOTHETICAL PROTEIN
AQ2171


(Aquifex
aeolicus)
PF08282
(Hydrolase_3)
4 VAL A 115
ILE A  92
TYR A  89
ILE A  88
None
1.04A 3hgxA-2p9jA:
undetectable
3hgxA-2p9jA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2voy SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1


(Oryctolagus
cuniculus)
no annotation 4 ILE K 765
TYR K 763
ILE K 761
GLN K 759
None
1.02A 3hgxA-2voyK:
undetectable
3hgxA-2voyK:
12.37
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3


(Bacillus
subtilis)
PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C)
4 ARG A  77
TYR A  14
ILE A 187
GLN A  80
None
1.04A 3hgxA-2vsqA:
undetectable
3hgxA-2vsqA:
6.11
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.
2wyr COBALT-ACTIVATED
PEPTIDASE TET1


(Pyrococcus
horikoshii)
PF05343
(Peptidase_M42)
4 VAL A  47
MET A  62
ILE A  27
ILE A  28
None
1.02A 3hgxA-2wyrA:
undetectable
3hgxA-2wyrA:
15.50
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.
2xqx ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D


(Streptococcus
pneumoniae)
PF00754
(F5_F8_type_C)
4 VAL A 849
MET A 864
ILE A 940
ILE A 938
None
1.02A 3hgxA-2xqxA:
undetectable
3hgxA-2xqxA:
18.25
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.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans)
PF01522
(Polysacc_deac_1)
4 ARG A  88
VAL A 129
TYR A 236
ILE A 233
None
1.01A 3hgxA-2y8uA:
undetectable
3hgxA-2y8uA:
18.94
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis)
PF07859
(Abhydrolase_3)
4 MET A  43
ILE A 292
ILE A  10
GLN A  13
None
1.04A 3hgxA-2yh2A:
undetectable
3hgxA-2yh2A:
16.29
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.
3a0e MANNOSE/SIALIC
ACID-BINDING LECTIN


(Polygonatum
cyrtonema)
PF01453
(B_lectin)
4 MET A  26
ILE A  65
TYR A  66
ILE A  73
None
0.98A 3hgxA-3a0eA:
undetectable
3hgxA-3a0eA:
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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN


(Bacteroides
thetaiotaomicron)
PF00459
(Inositol_P)
4 ARG A 266
ILE A 261
TYR A 240
GLN A 241
None
1.02A 3hgxA-3b8bA:
undetectable
3hgxA-3b8bA:
16.73
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.
3ce9 GLYCEROL
DEHYDROGENASE


(Clostridium
acetobutylicum)
PF13685
(Fe-ADH_2)
4 VAL A 103
ILE A  92
TYR A  39
ILE A  94
None
0.92A 3hgxA-3ce9A:
undetectable
3hgxA-3ce9A:
14.69
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.
3dho STREPTOGRAMIN A
ACETYLTRANSFERASE


(Enterococcus
faecium)
PF00132
(Hexapep)
4 ILE A  69
TYR A  37
ILE A  20
GLN A  18
None
0.97A 3hgxA-3dhoA:
undetectable
3hgxA-3dhoA:
14.83
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.
3dv9 BETA-PHOSPHOGLUCOMUT
ASE


(Bacteroides
vulgatus)
PF13419
(HAD_2)
4 MET A  46
ILE A  90
TYR A  91
ILE A  87
None
1.02A 3hgxA-3dv9A:
undetectable
3hgxA-3dv9A:
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.
3fbq CONSERVED DOMAIN
PROTEIN


(Bacillus
anthracis)
PF13786
(DUF4179)
4 ARG A 189
VAL A 184
TYR A 222
ILE A 224
None
0.95A 3hgxA-3fbqA:
undetectable
3hgxA-3fbqA:
16.67
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.
3gaa UNCHARACTERIZED
PROTEIN TA1441


(Thermoplasma
acidophilum)
PF09754
(PAC2)
4 VAL A  89
MET A 125
ILE A 206
ILE A 214
None
0.88A 3hgxA-3gaaA:
undetectable
3hgxA-3gaaA:
19.05
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.
3ggy INCREASED SODIUM
TOLERANCE PROTEIN 1


(Saccharomyces
cerevisiae)
PF03398
(Ist1)
4 VAL A 151
ILE A 145
TYR A 114
ILE A 113
None
0.84A 3hgxA-3ggyA:
undetectable
3hgxA-3ggyA:
18.09
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.
3hjg PUTATIVE
ALPHA-RIBAZOLE-5'-PH
OSPHATE PHOSPHATASE
COBC


(Vibrio
parahaemolyticus)
PF00300
(His_Phos_1)
4 VAL A  47
ILE A   6
TYR A   7
ILE A 144
None
0.97A 3hgxA-3hjgA:
undetectable
3hgxA-3hjgA:
17.33
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.
3ia1 THIO-DISULFIDE
ISOMERASE/THIOREDOXI
N


(Thermus
thermophilus)
PF00578
(AhpC-TSA)
4 VAL A  38
ILE A  49
TYR A  78
ILE A  80
None
1.02A 3hgxA-3ia1A:
undetectable
3hgxA-3ia1A:
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.
3k5r CADHERIN 13

(Mus musculus)
PF00028
(Cadherin)
4 VAL A 173
ILE A 148
TYR A 162
ILE A 170
None
1.03A 3hgxA-3k5rA:
undetectable
3hgxA-3k5rA:
17.29
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.
3ke5 HYPOTHETICAL
CYTOSOLIC PROTEIN


(Bacillus cereus)
PF01923
(Cob_adeno_trans)
4 VAL A 165
ILE A  96
TYR A  99
ILE A 100
None
0.83A 3hgxA-3ke5A:
undetectable
3hgxA-3ke5A:
21.57
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.
3kzg ARGININE 3RD
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN


(Legionella
pneumophila)
PF00497
(SBP_bac_3)
4 MET A  50
ILE A 211
ILE A 221
GLN A 217
None
0.97A 3hgxA-3kzgA:
undetectable
3hgxA-3kzgA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n7z ACETYLTRANSFERASE,
GNAT FAMILY


(Bacillus
anthracis)
PF13527
(Acetyltransf_9)
PF13530
(SCP2_2)
4 MET A 116
ILE A  69
TYR A  70
ILE A  71
None
0.78A 3hgxA-3n7zA:
undetectable
3hgxA-3n7zA:
12.63
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.
3ojy COMPLEMENT COMPONENT
C8 BETA CHAIN


(Homo sapiens)
PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF)
4 VAL B 136
ILE B 291
TYR B 290
ILE B 125
None
0.85A 3hgxA-3ojyB:
undetectable
3hgxA-3ojyB:
10.88
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.
3p2n 3,6-ANHYDRO-ALPHA-L-
GALACTOSIDASE


(Zobellia
galactanivorans)
PF04616
(Glyco_hydro_43)
4 VAL A 286
ILE A 256
TYR A 263
ILE A 255
None
0.98A 3hgxA-3p2nA:
undetectable
3hgxA-3p2nA:
14.68
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.
3pqu TRANSFERRIN BINDING
PROTEIN B


(Actinobacillus
suis)
PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A)
4 VAL A 133
ILE A  55
TYR A 159
ILE A 160
None
1.04A 3hgxA-3pquA:
undetectable
3hgxA-3pquA:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qre ENOYL-COA HYDRATASE,
ECHA12_1


(Mycobacterium
marinum)
PF00378
(ECH_1)
4 VAL A  19
MET A 220
ILE A 211
ILE A 113
None
1.02A 3hgxA-3qreA:
undetectable
3hgxA-3qreA:
21.65
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.
3r3e UNCHARACTERIZED
PROTEIN YQJG


(Escherichia
coli)
PF13409
(GST_N_2)
PF13410
(GST_C_2)
4 VAL A 247
ILE A 283
TYR A 278
ILE A 277
None
1.04A 3hgxA-3r3eA:
undetectable
3hgxA-3r3eA:
14.33
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.
3unv ADMH

(Pantoea
agglomerans)
PF00221
(Lyase_aromatic)
4 VAL A 514
ILE A 523
TYR A 526
ILE A 527
None
1.03A 3hgxA-3unvA:
2.6
3hgxA-3unvA:
11.53
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.
3w1o DNA MIMIC PROTEIN
DMP12


(Neisseria
meningitidis)
PF16779
(DMP12)
4 ILE A  39
TYR A  47
ILE A  44
GLN A  48
None
0.96A 3hgxA-3w1oA:
undetectable
3hgxA-3w1oA:
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.
4ak5 ANHYDRO-ALPHA-L-GALA
CTOSIDASE


(Bacteroides
plebeius)
PF04616
(Glyco_hydro_43)
4 VAL A 279
ILE A 249
TYR A 256
ILE A 248
None
0.95A 3hgxA-4ak5A:
undetectable
3hgxA-4ak5A:
13.85
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.
4br6 SUPEROXIDE DISMUTASE

(Chaetomium
thermophilum)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 MET A  23
ILE A  18
TYR A  17
ILE A 181
None
1.02A 3hgxA-4br6A:
undetectable
3hgxA-4br6A:
21.83
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.
4c1n CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN


(Carboxydothermus
hydrogenoformans)
PF03599
(CdhD)
4 ARG B 228
MET B  43
ILE B 283
GLN B 284
None
1.01A 3hgxA-4c1nB:
undetectable
3hgxA-4c1nB:
15.71
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.
4d86 POLY [ADP-RIBOSE]
POLYMERASE 14


(Homo sapiens)
PF01661
(Macro)
4 VAL A 816
ILE A 957
TYR A 958
ILE A 918
None
0.91A 3hgxA-4d86A:
undetectable
3hgxA-4d86A:
13.69
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.
4d8m PESTICIDAL CRYSTAL
PROTEIN CRY5BA


(Bacillus
thuringiensis)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
4 VAL A 386
ILE A 533
TYR A 516
ILE A 518
None
1.00A 3hgxA-4d8mA:
2.1
3hgxA-4d8mA:
10.84
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.
4f1n KPAGO

(Vanderwaltozyma
polyspora)
PF02171
(Piwi)
4 VAL A1048
ILE A1015
ILE A1014
GLN A1052
None
0.96A 3hgxA-4f1nA:
undetectable
3hgxA-4f1nA:
8.63
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.
4fha DIHYDRODIPICOLINATE
SYNTHASE


(Streptococcus
pneumoniae)
PF00701
(DHDPS)
4 MET A 155
ILE A 139
TYR A 140
ILE A 138
None
None
KPI  A 168 ( 3.8A)
None
0.99A 3hgxA-4fhaA:
undetectable
3hgxA-4fhaA:
17.04
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
4 VAL A 682
ILE A 702
TYR A 701
ILE A 717
VAL  A 682 ( 0.6A)
ILE  A 702 ( 0.7A)
TYR  A 701 ( 1.3A)
ILE  A 717 ( 0.7A)
1.00A 3hgxA-4flxA:
1.6
3hgxA-4flxA:
9.24
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN


(Lactobacillus
acidophilus)
PF06100
(MCRA)
4 MET A  47
ILE A  52
TYR A  26
ILE A  27
None
0.90A 3hgxA-4ia5A:
undetectable
3hgxA-4ia5A:
11.49
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.
4myo VIRGINIAMYCIN A
ACETYLTRANSFERASE


(Staphylococcus
aureus)
PF00132
(Hexapep)
4 ILE A  74
TYR A  42
ILE A  26
GLN A  24
None
1.04A 3hgxA-4myoA:
undetectable
3hgxA-4myoA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6k TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT


(Desulfovibrio
salexigens)
PF03480
(DctP)
4 ILE A  64
TYR A  57
ILE A  66
GLN A  67
None
0.94A 3hgxA-4n6kA:
undetectable
3hgxA-4n6kA:
16.83
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.
4qc8 VP2

(Ungulate
bocaparvovirus
1)
PF00740
(Parvo_coat)
4 VAL A 476
MET A 159
ILE A 453
ILE A 451
None
0.90A 3hgxA-4qc8A:
undetectable
3hgxA-4qc8A:
10.34
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.
4qns HISTONE
ACETYLTRANSFERASE
GCN5, PUTATIVE


(Plasmodium
falciparum)
PF00439
(Bromodomain)
4 MET A1406
TYR A1457
ILE A1453
GLN A1450
None
SO4  A1501 (-4.9A)
None
None
0.95A 3hgxA-4qnsA:
undetectable
3hgxA-4qnsA:
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.
4rf7 ARGININE KINASE

(Anthopleura
japonica)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
4 VAL A 112
MET A 283
ILE A 129
ILE A 243
None
0.92A 3hgxA-4rf7A:
undetectable
3hgxA-4rf7A:
9.73
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.
4rf7 ARGININE KINASE

(Anthopleura
japonica)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
4 VAL A 464
MET A 635
ILE A 481
ILE A 595
None
0.92A 3hgxA-4rf7A:
undetectable
3hgxA-4rf7A:
9.73
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.
4rsx TYPE III EFFECTOR
HOPA1


(Pseudomonas
syringae group
genomosp. 3)
no annotation 4 ILE A 151
TYR A 152
ILE A 154
GLN A 157
None
0.98A 3hgxA-4rsxA:
undetectable
3hgxA-4rsxA:
18.90
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.
4u5p RHCC

(Rhodococcus
jostii)
PF14832
(Tautomerase_3)
4 VAL A  39
MET A  82
ILE A  27
ILE A  24
None
1.04A 3hgxA-4u5pA:
undetectable
3hgxA-4u5pA:
26.09
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.
4up3 THIOREDOXIN
REDUCTASE


(Entamoeba
histolytica)
PF07992
(Pyr_redox_2)
4 ARG A 288
TYR A 266
ILE A 267
GLN A 286
None
1.03A 3hgxA-4up3A:
undetectable
3hgxA-4up3A:
15.49
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.
4v0n BARDET-BIEDL
SYNDROME 1 PROTEIN


(Chlamydomonas
reinhardtii)
PF14779
(BBS1)
4 MET B 219
ILE B 124
TYR B 125
ILE B 126
None
0.78A 3hgxA-4v0nB:
undetectable
3hgxA-4v0nB:
12.44
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.
4v16 SVP1-LIKE PROTEIN 2

(Kluyveromyces
lactis)
no annotation 4 MET A  61
ILE A  39
TYR A  40
ILE A  48
None
0.96A 3hgxA-4v16A:
undetectable
3hgxA-4v16A:
14.63
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7


(Homo sapiens)
PF03133
(TTL)
4 VAL A 370
ILE A 206
TYR A 207
ILE A 208
None
0.80A 3hgxA-4ylrA:
1.2
3hgxA-4ylrA:
14.15
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N)
4 ARG A1040
VAL A 931
ILE A 923
ILE A 987
None
1.04A 3hgxA-4zktA:
1.6
3hgxA-4zktA:
5.81
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.
5a2o NITRATE TRANSPORTER
1.1


(Arabidopsis
thaliana)
PF00854
(PTR2)
4 ARG A 372
MET A 384
ILE A 379
ILE A 374
None
0.97A 3hgxA-5a2oA:
2.3
3hgxA-5a2oA:
10.61
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.
5a3c SIR2 FAMILY PROTEIN

(Streptococcus
pyogenes)
no annotation 4 VAL A 172
ILE A 160
ILE A 164
GLN A 167
None
0.91A 3hgxA-5a3cA:
undetectable
3hgxA-5a3cA:
16.84
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.
5awn HEAVY CHAIN OF
3BC176 FAB


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 ARG H  94
VAL H   2
TYR H  27
GLN H   1
None
0.85A 3hgxA-5awnH:
undetectable
3hgxA-5awnH:
17.73
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN


(Campylobacter
jejuni)
PF07196
(Flagellin_IN)
PF07559
(FlaE)
4 VAL A 173
MET A 658
ILE A 660
ILE A 699
None
1.04A 3hgxA-5az4A:
undetectable
3hgxA-5az4A:
9.87
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.
5eo7 PREDICTED PROTEIN

(Aspergillus
oryzae)
PF07938
(Fungal_lectin)
4 VAL A 163
ILE A 127
TYR A 128
ILE A 112
None
1.04A 3hgxA-5eo7A:
undetectable
3hgxA-5eo7A:
16.08
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.
5fml PA SUBUNIT OF
INFLUENZA B
POLYMERASE
PB2 SUBUNIT OF
INFLUENZA B
POLYMERASE


(Influenza B
virus)
PF00603
(Flu_PA)
no annotation
4 VAL B  79
ILE A 751
ILE A 755
GLN A 758
None
0.93A 3hgxA-5fmlB:
undetectable
3hgxA-5fmlB:
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.
5gaj DE NOVO DESIGNED
PROTEIN OR258


(synthetic
construct)
no annotation 4 VAL A 108
ILE A  95
TYR A  96
GLN A  89
None
1.02A 3hgxA-5gajA:
undetectable
3hgxA-5gajA:
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.
5go2 PROTEIN AROA(G)

(Bacillus
subtilis)
PF01817
(CM_2)
4 ARG A  27
VAL A  31
MET A  54
GLN A  86
None
0.75A 3hgxA-5go2A:
9.3
3hgxA-5go2A:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzs GGDEF FAMILY PROTEIN

(Vibrio cholerae)
PF00497
(SBP_bac_3)
4 VAL A 236
ILE A 227
TYR A 230
GLN A 237
None
1.02A 3hgxA-5gzsA:
undetectable
3hgxA-5gzsA:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h67 SEGREGATION AND
CONDENSATION PROTEIN
A


(Bacillus
subtilis)
PF02616
(SMC_ScpA)
4 ILE C 242
TYR C 241
ILE C 231
GLN C 233
None
0.98A 3hgxA-5h67C:
undetectable
3hgxA-5h67C:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN


(Klebsiella
pneumoniae)
PF13407
(Peripla_BP_4)
4 VAL A  89
ILE A  81
TYR A  84
ILE A  85
None
0.79A 3hgxA-5hsgA:
undetectable
3hgxA-5hsgA:
17.58
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.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3


(Geobacillus sp.
GHH01)
PF00793
(DAHP_synth_1)
PF01817
(CM_2)
4 ARG A  27
VAL A  31
MET A  54
GLN A  86
PRE  A 404 (-3.4A)
PRE  A 404 ( 4.9A)
PRE  A 404 (-3.6A)
PRE  A 404 (-3.3A)
0.72A 3hgxA-5j6fA:
10.5
3hgxA-5j6fA:
17.46
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.
5jtk UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
no annotation 4 VAL A  81
ILE A   4
TYR A   6
ILE A   7
None
0.93A 3hgxA-5jtkA:
undetectable
3hgxA-5jtkA:
23.30
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT


(Aromatoleum
aromaticum)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N)
4 ARG B 441
VAL B 695
TYR B 399
ILE B 400
None
0.98A 3hgxA-5l9wB:
undetectable
3hgxA-5l9wB:
10.18
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.
5lon KLLA0E01827P

(Kluyveromyces
lactis)
PF06058
(DCP1)
4 VAL B 143
ILE B 175
TYR B 172
ILE B 171
None
0.96A 3hgxA-5lonB:
undetectable
3hgxA-5lonB:
21.24
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.
5mz6 SEPARASE

(Caenorhabditis
elegans)
PF03568
(Peptidase_C50)
4 VAL 1 351
ILE 1  41
TYR 1  70
ILE 1  66
None
0.89A 3hgxA-5mz61:
undetectable
3hgxA-5mz61:
6.07
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.
5n4g HEAVY CHAIN

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 ARG H  98
VAL H   2
TYR H  27
GLN H   1
EDO  H 302 (-3.5A)
None
None
None
0.91A 3hgxA-5n4gH:
undetectable
3hgxA-5n4gH:
15.89
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.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron)
PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C)
4 VAL A 482
MET A 356
ILE A 460
ILE A 443
None
0.94A 3hgxA-5ngkA:
undetectable
3hgxA-5ngkA:
11.79
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.
5tpx HISTONE
ACETYLTRANSFERASE
GCN5


(Plasmodium
falciparum)
PF00439
(Bromodomain)
4 MET A1406
TYR A1457
ILE A1453
GLN A1450
None
1.02A 3hgxA-5tpxA:
undetectable
3hgxA-5tpxA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v6c HEMOLYSIN-RELATED
PROTEIN


(Vibrio cholerae)
no annotation 4 VAL A 889
MET A 844
ILE A 855
ILE A 852
None
0.99A 3hgxA-5v6cA:
undetectable
3hgxA-5v6cA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens)
no annotation 4 VAL A 671
ILE A 639
ILE A 638
GLN A 675
None
1.00A 3hgxA-5weaA:
undetectable
3hgxA-5weaA:
18.35
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE


(Trichomonas
vaginalis)
PF00177
(Ribosomal_S7)
4 VAL F  53
ILE F 136
TYR F  27
ILE F  28
None
1.05A 3hgxA-5xyiF:
undetectable
3hgxA-5xyiF:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y28 -

(-)
no annotation 4 VAL A 140
ILE A 105
TYR A 110
ILE A 111
None
1.04A 3hgxA-5y28A:
undetectable
3hgxA-5y28A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ys6 PRV GLYCOPROTEN B

(Suid
alphaherpesvirus
1)
no annotation 4 VAL A 203
ILE A 174
TYR A 175
ILE A 283
None
1.05A 3hgxA-5ys6A:
undetectable
3hgxA-5ys6A:
30.49
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.
6c46 DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE


(Elizabethkingia
anophelis)
no annotation 4 MET A 101
ILE A  13
TYR A  12
ILE A  14
None
1.02A 3hgxA-6c46A:
undetectable
3hgxA-6c46A:
16.96
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE


(Mycolicibacterium
smegmatis)
no annotation 4 VAL A 240
ILE A 253
TYR A 250
ILE A 249
None
0.68A 3hgxA-6fv4A:
undetectable
3hgxA-6fv4A:
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE


(Paenibacillus
sp. YM1)
no annotation 4 VAL A 402
ILE A 496
ILE A 500
GLN A 503
None
0.87A 3hgxA-6gh2A:
undetectable
3hgxA-6gh2A:
14.85