SIMILAR PATTERNS OF AMINO ACIDS FOR 4BQF_B_QPSB951_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.
1a6d THERMOSOME (ALPHA
SUBUNIT)


(Thermoplasma
acidophilum)
PF00118
(Cpn60_TCP1)
4 ARG A 386
GLU A 383
GLU A 385
LYS A 201
None
0.99A 4bqfB-1a6dA:
undetectable
4bqfB-1a6dA:
21.40
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.
1c4o DNA NUCLEOTIDE
EXCISION REPAIR
ENZYME UVRB


(Thermus
thermophilus)
PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB)
4 ARG A 557
GLU A 560
GLU A 561
ARG A 565
None
None
BOG  A9998 (-3.4A)
BOG  A9998 ( 4.9A)
1.13A 4bqfB-1c4oA:
undetectable
4bqfB-1c4oA:
22.53
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.
1dfd FERREDOXIN I

(Desulfovibrio
africanus)
PF13370
(Fer4_13)
4 MET A  51
TRP A  61
GLU A  45
ARG A   2
None
1.16A 4bqfB-1dfdA:
undetectable
4bqfB-1dfdA:
6.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e4o MALTODEXTRIN
PHOSPHORYLASE


(Escherichia
coli)
PF00343
(Phosphorylase)
4 TRP A 329
ARG A 366
GLU A 373
ARG A 377
None
0.75A 4bqfB-1e4oA:
47.6
4bqfB-1e4oA:
42.63
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.
1ga7 HYPOTHETICAL 23.7
KDA PROTEIN IN
ICC-TOLC INTERGENIC
REGION


(Escherichia
coli)
PF00293
(NUDIX)
4 TRP A 208
GLU A 147
LYS A 122
ARG A 123
None
1.00A 4bqfB-1ga7A:
undetectable
4bqfB-1ga7A:
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.
1h09 LYSOZYME

(Streptococcus
virus Cp1)
PF01183
(Glyco_hydro_25)
PF01473
(CW_binding_1)
4 ARG A  73
GLU A  70
GLU A  72
ARG A 110
None
1.16A 4bqfB-1h09A:
2.2
4bqfB-1h09A:
17.27
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.
1k38 BETA-LACTAMASE OXA-2

(Salmonella
enterica)
PF00905
(Transpeptidase)
4 ARG A 175
GLU A  44
GLU A 220
ARG A 203
None
1.20A 4bqfB-1k38A:
undetectable
4bqfB-1k38A:
14.56
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.
1kcm PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
ALPHA


(Mus musculus)
PF02121
(IP_trans)
4 GLU A   6
GLU A 113
LYS A 111
ARG A  96
None
0.86A 4bqfB-1kcmA:
undetectable
4bqfB-1kcmA:
15.38
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.
1mkx PRETHROMBIN-2

(Bos taurus)
PF00089
(Trypsin)
PF09396
(Thrombin_light)
4 ARG K  77
GLU K  80
LYS K  70
ARG K  67
None
1.08A 4bqfB-1mkxK:
undetectable
4bqfB-1mkxK:
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.
1o20 GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE


(Thermotoga
maritima)
PF00171
(Aldedh)
4 GLU A 172
GLU A 163
LYS A  36
ARG A  40
None
0.97A 4bqfB-1o20A:
2.0
4bqfB-1o20A:
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2


(Synechocystis
sp. PCC 6803)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
4 ARG A 353
GLU A1328
GLU A 367
ARG A  31
None
1.23A 4bqfB-1ofeA:
2.5
4bqfB-1ofeA:
20.47
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.
1qe0 HISTIDINE--TRNA
LIGASE


(Staphylococcus
aureus)
PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His)
4 ARG A  87
GLU A  44
LYS A  70
ARG A  73
None
1.12A 4bqfB-1qe0A:
undetectable
4bqfB-1qe0A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT


(Pseudomonas
putida)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
4 ARG B 188
GLU B 316
GLU B 301
ARG B 299
None
1.25A 4bqfB-1t3qB:
undetectable
4bqfB-1t3qB:
22.64
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.
1uf2 OUTER CAPSID PROTEIN
P8


(Rice dwarf
virus)
no annotation 4 MET P  42
GLU P  14
GLU P  18
ARG P  22
None
1.14A 4bqfB-1uf2P:
undetectable
4bqfB-1uf2P:
17.56
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.
1vm7 RIBOKINASE

(Thermotoga
maritima)
PF00294
(PfkB)
4 TRP A 123
GLU A 141
GLU A 145
LYS A 148
None
1.17A 4bqfB-1vm7A:
6.3
4bqfB-1vm7A:
15.35
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.
1vm7 RIBOKINASE

(Thermotoga
maritima)
PF00294
(PfkB)
4 TRP A 123
GLU A 145
LYS A 148
ARG A 149
None
1.05A 4bqfB-1vm7A:
6.3
4bqfB-1vm7A:
15.35
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.
1w2d INOSITOL-TRISPHOSPHA
TE 3-KINASE A


(Homo sapiens)
PF03770
(IPK)
4 ARG A 440
GLU A 394
GLU A 441
ARG A 433
None
1.17A 4bqfB-1w2dA:
undetectable
4bqfB-1w2dA:
15.43
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.
2c08 SH3-CONTAINING
GRB2-LIKE PROTEIN 2


(Rattus
norvegicus)
PF03114
(BAR)
4 ARG A 239
GLU A 116
GLU A 119
ARG A 122
None
1.18A 4bqfB-2c08A:
undetectable
4bqfB-2c08A:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c0k HEMOGLOBIN

(Gasterophilus
intestinalis)
PF00042
(Globin)
4 GLU A  22
GLU A  26
LYS A  29
ARG A  30
None
0.65A 4bqfB-2c0kA:
undetectable
4bqfB-2c0kA:
10.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c4m GLYCOGEN
PHOSPHORYLASE


(Corynebacterium
callunae)
PF00343
(Phosphorylase)
6 MET A 311
TRP A 318
ARG A 355
GLU A 358
GLU A 362
ARG A 366
FMT  A1803 ( 4.3A)
None
FMT  A1803 (-2.9A)
None
None
None
0.42A 4bqfB-2c4mA:
53.8
4bqfB-2c4mA:
42.84
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.
2cu7 KIAA1915 PROTEIN

(Homo sapiens)
PF00249
(Myb_DNA-binding)
4 TRP A  12
GLU A  18
GLU A  16
ARG A  41
None
1.25A 4bqfB-2cu7A:
undetectable
4bqfB-2cu7A:
7.30
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.
2cx7 STEROL CARRIER
PROTEIN 2


(Thermus
thermophilus)
PF02036
(SCP2)
4 GLU A  20
GLU A  18
LYS A  15
ARG A  14
None
0.99A 4bqfB-2cx7A:
undetectable
4bqfB-2cx7A:
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.
2d4p HYPOTHETICAL PROTEIN
TTHA1254


(Thermus
thermophilus)
PF09390
(DUF1999)
4 ARG A  16
GLU A  45
GLU A  41
ARG A   4
None
1.08A 4bqfB-2d4pA:
undetectable
4bqfB-2d4pA:
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.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus)
PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N)
4 ARG A 249
GLU A 250
GLU A 162
ARG A 246
None
1.21A 4bqfB-2ddhA:
undetectable
4bqfB-2ddhA:
22.19
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.
2eia EIAV CAPSID PROTEIN
P26


(Equine
infectious
anemia virus)
PF00607
(Gag_p24)
4 ARG A 114
GLU A  51
LYS A  17
ARG A  18
None
1.14A 4bqfB-2eiaA:
undetectable
4bqfB-2eiaA:
12.93
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.
2fc3 50S RIBOSOMAL
PROTEIN L7AE


(Aeropyrum
pernix)
PF01248
(Ribosomal_L7Ae)
4 GLU A  17
GLU A  21
LYS A  24
ARG A  25
None
1.06A 4bqfB-2fc3A:
undetectable
4bqfB-2fc3A:
8.68
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.
2fcc ENDONUCLEASE V

(Escherichia
virus T4)
PF03013
(Pyr_excise)
4 ARG A  70
GLU A  77
LYS A  80
ARG A  81
GOL  A 602 (-3.9A)
None
None
None
0.95A 4bqfB-2fccA:
undetectable
4bqfB-2fccA:
11.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM


(Oryctolagus
cuniculus)
PF00343
(Phosphorylase)
4 TRP A 361
ARG A 398
GLU A 405
ARG A 409
None
0.55A 4bqfB-2gj4A:
46.8
4bqfB-2gj4A:
45.35
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.
2iee PROBABLE ABC
TRANSPORTER
EXTRACELLULAR-BINDIN
G PROTEIN YCKB


(Bacillus
subtilis)
PF00497
(SBP_bac_3)
4 GLU A  52
GLU A  56
LYS A  59
ARG A  60
None
1.21A 4bqfB-2ieeA:
undetectable
4bqfB-2ieeA:
15.05
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.
2l82 DESIGNED PROTEIN
OR32


(synthetic
construct)
no annotation 4 ARG A  40
GLU A  43
GLU A  47
LYS A  50
None
0.94A 4bqfB-2l82A:
2.7
4bqfB-2l82A:
11.16
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.
2nd2 DE NOVO MINI PROTEIN
HHH_06


(synthetic
construct)
no annotation 4 MET A  15
GLU A   8
GLU A  24
LYS A  28
None
1.22A 4bqfB-2nd2A:
undetectable
4bqfB-2nd2A:
4.75
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.
2q07 UNCHARACTERIZED
PROTEIN AF0587


(Archaeoglobus
fulgidus)
PF01472
(PUA)
4 ARG A 433
GLU A 426
GLU A 424
ARG A 439
None
1.19A 4bqfB-2q07A:
3.2
4bqfB-2q07A:
16.42
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida)
PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C)
4 GLU A 246
GLU A 250
LYS A 253
ARG A 254
None
0.87A 4bqfB-2v7gA:
undetectable
4bqfB-2v7gA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL


(Homo sapiens)
PF00171
(Aldedh)
4 MET A 489
GLU A 515
LYS A 214
ARG A 213
None
None
None
SIN  A3001 (-3.5A)
1.06A 4bqfB-2w8qA:
undetectable
4bqfB-2w8qA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2weu TRYPTOPHAN
5-HALOGENASE


(Streptomyces
rugosporus)
PF04820
(Trp_halogenase)
4 ARG A 488
ARG A  98
GLU A 485
ARG A 490
None
1.11A 4bqfB-2weuA:
undetectable
4bqfB-2weuA:
19.98
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE


(Peptoniphilus
asaccharolyticus)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
4 GLU A 378
GLU A 201
LYS A 204
ARG A 205
None
1.17A 4bqfB-2yfqA:
3.8
4bqfB-2yfqA:
19.66
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.
2yy7 L-THREONINE
DEHYDROGENASE


(Flavobacterium
frigidimaris)
PF01370
(Epimerase)
4 MET A 245
GLU A 251
GLU A 255
LYS A 258
None
1.18A 4bqfB-2yy7A:
3.7
4bqfB-2yy7A:
16.51
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE


(Pyrococcus
furiosus)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5)
4 ARG A 634
GLU A 616
LYS A 619
ARG A 485
None
1.24A 4bqfB-2zj8A:
undetectable
4bqfB-2zj8A:
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.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE


(Mesorhizobium
japonicum)
PF01494
(FAD_binding_3)
4 ARG A  38
TRP A  35
GLU A  15
ARG A  12
None
1.17A 4bqfB-3allA:
undetectable
4bqfB-3allA:
17.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM


(Homo sapiens)
PF00343
(Phosphorylase)
4 TRP A 361
ARG A 398
GLU A 401
GLU A 405
None
0.35A 4bqfB-3cemA:
55.4
4bqfB-3cemA:
44.84
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.
3ek1 ALDEHYDE
DEHYDROGENASE


(Brucella
abortus)
PF00171
(Aldedh)
4 MET A 436
GLU A 462
LYS A 167
ARG A 166
None
None
None
MES  A 485 (-3.4A)
1.18A 4bqfB-3ek1A:
3.1
4bqfB-3ek1A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 28 KDA FORM


(Mus musculus)
PF04916
(Phospholip_B)
4 ARG A 173
ARG A 211
GLU A 176
GLU A 174
None
1.04A 4bqfB-3fgtA:
undetectable
4bqfB-3fgtA:
12.65
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.
3h2x TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 22


(Homo sapiens)
PF00102
(Y_phosphatase)
4 MET A 127
ARG A 172
GLU A 145
GLU A 131
None
None
None
PO4  A 903 ( 3.0A)
1.13A 4bqfB-3h2xA:
undetectable
4bqfB-3h2xA:
16.33
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans)
PF01979
(Amidohydro_1)
4 TRP A 301
GLU A 349
LYS A 353
ARG A 354
None
1.05A 4bqfB-3hm7A:
undetectable
4bqfB-3hm7A:
20.73
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.
3jty BENF-LIKE PORIN

(Pseudomonas
protegens)
PF03573
(OprD)
4 ARG A 352
GLU A 373
GLU A 375
LYS A 391
None
1.21A 4bqfB-3jtyA:
undetectable
4bqfB-3jtyA:
17.06
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 TRP A  32
GLU A  42
GLU A  40
ARG A  13
None
None
None
SO4  A 801 (-2.8A)
0.93A 4bqfB-3muoA:
5.1
4bqfB-3muoA:
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.
3ni0 BONE MARROW STROMAL
ANTIGEN 2


(Mus musculus)
PF16716
(BST2)
4 ARG A 120
GLU A 123
GLU A 127
LYS A 130
None
0.89A 4bqfB-3ni0A:
undetectable
4bqfB-3ni0A:
9.07
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.
3o66 GLYCINE
BETAINE/CARNITINE/CH
OLINE ABC
TRANSPORTER


(Staphylococcus
aureus)
PF04069
(OpuAC)
4 ARG A  53
GLU A  57
GLU A 296
LYS A 300
None
1.06A 4bqfB-3o66A:
undetectable
4bqfB-3o66A:
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.
3odw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1


(Homo sapiens)
PF00621
(RhoGEF)
4 ARG A 596
GLU A 593
GLU A 589
ARG A 585
None
1.20A 4bqfB-3odwA:
undetectable
4bqfB-3odwA:
19.21
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.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1


(Homo sapiens)
PF00621
(RhoGEF)
4 ARG A 596
GLU A 593
GLU A 589
ARG A 585
None
1.18A 4bqfB-3odxA:
undetectable
4bqfB-3odxA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pz9 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE. GLYCOSYL
HYDROLASE FAMILY 5


(Thermotoga
petrophila)
PF00150
(Cellulase)
4 ARG A 387
GLU A 384
GLU A 382
ARG A 328
None
1.05A 4bqfB-3pz9A:
undetectable
4bqfB-3pz9A:
18.28
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.
3qcw NEUREXIN-1-ALPHA

(Bos taurus)
PF00008
(EGF)
PF02210
(Laminin_G_2)
4 ARG A 757
GLU A 777
LYS A 784
ARG A 775
None
1.09A 4bqfB-3qcwA:
undetectable
4bqfB-3qcwA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis)
PF00696
(AA_kinase)
4 GLU A  77
GLU A  81
LYS A  84
ARG A  85
None
0.88A 4bqfB-3qvfA:
3.4
4bqfB-3qvfA:
16.00
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6


(Homo sapiens)
PF00856
(SET)
PF09273
(Rubis-subs-bind)
4 ARG A 165
TRP A 159
GLU A 163
ARG A 450
None
1.10A 4bqfB-3rc0A:
undetectable
4bqfB-3rc0A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0u UNCHARACTERIZED
PROTEIN


(Vibrio
parahaemolyticus)
PF03945
(Endotoxin_N)
4 ARG A 327
GLU A 339
GLU A 312
LYS A 310
None
1.12A 4bqfB-3x0uA:
undetectable
4bqfB-3x0uA:
19.45
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.
3zbi TRAO PROTEIN

(Escherichia
coli)
PF03524
(CagX)
4 GLU B 973
GLU B 996
LYS B 995
ARG B1009
None
1.06A 4bqfB-3zbiB:
undetectable
4bqfB-3zbiB:
9.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 ARG A 297
GLU A 647
LYS A 644
ARG A 646
None
1.23A 4bqfB-3zifA:
undetectable
4bqfB-3zifA:
21.39
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.
3zj0 ACETYLTRANSFERASE

(Oceanicola
granulosus)
PF00583
(Acetyltransf_1)
4 ARG A 141
GLU A  65
GLU A  62
ARG A   8
None
1.24A 4bqfB-3zj0A:
undetectable
4bqfB-3zj0A:
13.34
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.
3zrp SERINE-PYRUVATE
AMINOTRANSFERASE
(AGXT)


(Sulfolobus
solfataricus)
PF00266
(Aminotran_5)
4 ARG A 143
TRP A 178
GLU A 171
GLU A 172
None
1.02A 4bqfB-3zrpA:
2.4
4bqfB-3zrpA:
17.75
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.
3zzw TYROSINE-PROTEIN
KINASE TRANSMEMBRANE
RECEPTOR ROR2


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 ARG A 483
GLU A 520
GLU A 524
ARG A 528
None
1.05A 4bqfB-3zzwA:
undetectable
4bqfB-3zzwA:
16.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC


(Arabidopsis
thaliana)
PF00343
(Phosphorylase)
8 ARG A 217
MET A 356
TRP A 363
ARG A 400
GLU A 403
GLU A 407
LYS A 410
ARG A 411
MLR  A 951 (-3.8A)
MLR  A 951 ( 3.7A)
None
MLR  A 951 (-2.9A)
MLR  A 951 ( 3.9A)
MLR  A 951 (-2.9A)
MLR  A 951 ( 4.4A)
MLR  A 951 (-4.1A)
0.20A 4bqfB-4bqiA:
63.6
4bqfB-4bqiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d51 CYMA

(Klebsiella
oxytoca)
PF16941
(CymA)
4 GLU A 135
GLU A 164
LYS A 131
ARG A 166
None
1.01A 4bqfB-4d51A:
undetectable
4bqfB-4d51A:
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.
4dhx 80 KDA
MCM3-ASSOCIATED
PROTEIN
ENHANCER OF YELLOW 2
TRANSCRIPTION FACTOR
HOMOLOG


(Homo sapiens)
PF10163
(EnY2)
PF16766
(CID_GANP)
4 ARG B  34
TRP B  42
GLU A1186
LYS B  47
None
1.10A 4bqfB-4dhxB:
undetectable
4bqfB-4dhxB:
7.52
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.
4glx DNA LIGASE

(Escherichia
coli)
PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
4 ARG A 167
GLU A 126
GLU A 169
ARG A 171
None
1.18A 4bqfB-4glxA:
undetectable
4bqfB-4glxA:
22.46
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.
4kxr PPE41

(Mycobacterium
tuberculosis)
PF00823
(PPE)
4 ARG B  94
GLU B  91
GLU B  86
ARG B  32
None
1.10A 4bqfB-4kxrB:
undetectable
4bqfB-4kxrB:
12.47
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.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN


(Archaeoglobus
fulgidus)
PF03787
(RAMPs)
4 ARG A 106
GLU A  84
GLU A  27
ARG A  29
None
1.23A 4bqfB-4l6uA:
undetectable
4bqfB-4l6uA:
16.69
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE


(Toxoplasma
gondii)
PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
4 ARG A 390
ARG A 355
GLU A 524
GLU A 391
None
SO4  A 602 (-2.6A)
None
None
1.01A 4bqfB-4p2bA:
undetectable
4bqfB-4p2bA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q8k ALGINASE

(Pseudoalteromonas
sp. SM0524)
PF08787
(Alginate_lyase2)
4 GLU A 341
GLU A 302
LYS A 268
ARG A 294
None
None
SO4  A 502 ( 4.2A)
SO4  A 502 ( 4.4A)
1.22A 4bqfB-4q8kA:
undetectable
4bqfB-4q8kA:
18.21
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.
4r94 NON-STRUCTURAL
PROTEIN NS1


(Rodent
protoparvovirus
1)
PF12433
(PV_NSP1)
4 ARG A 146
GLU A 181
GLU A 178
ARG A 174
None
1.17A 4bqfB-4r94A:
undetectable
4bqfB-4r94A:
14.39
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.
4wui N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE


(Jonesia
denitrificans)
PF00697
(PRAI)
4 ARG A 148
GLU A 120
GLU A 119
ARG A 102
None
1.24A 4bqfB-4wuiA:
undetectable
4bqfB-4wuiA:
13.42
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.
4zv9 UNCHARACTERIZED
PROTEIN


(Escherichia
coli)
PF01738
(DLH)
4 TRP A 240
GLU A 255
GLU A 244
LYS A 248
None
1.19A 4bqfB-4zv9A:
4.9
4bqfB-4zv9A:
13.76
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.
5ail POLY [ADP-RIBOSE]
POLYMERASE 9


(Homo sapiens)
PF01661
(Macro)
4 GLU A 405
GLU A 447
LYS A 450
ARG A 451
EDO  A1458 (-2.5A)
None
None
None
1.18A 4bqfB-5ailA:
3.9
4bqfB-5ailA:
14.21
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.
5b3g PROTEIN SHORT-ROOT

(Arabidopsis
thaliana)
PF03514
(GRAS)
4 ARG B 461
GLU B 463
LYS B 467
ARG B 471
None
1.25A 4bqfB-5b3gB:
undetectable
4bqfB-5b3gB:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT


(Sulfurisphaera
tokodaii)
PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II)
4 ARG A 431
ARG A 310
GLU A 396
GLU A 430
None
1.10A 4bqfB-5b47A:
undetectable
4bqfB-5b47A:
21.66
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.
5b6a PYRIDOXAL KINASE
PDXY


(Pseudomonas
aeruginosa)
PF08543
(Phos_pyr_kin)
4 ARG A 280
GLU A 254
GLU A 258
ARG A 271
None
0.99A 4bqfB-5b6aA:
3.0
4bqfB-5b6aA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron)
PF15979
(Glyco_hydro_115)
4 ARG A 620
GLU A 506
LYS A 733
ARG A 728
None
1.01A 4bqfB-5by3A:
undetectable
4bqfB-5by3A:
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.
5bza BETA-N-ACETYLHEXOSAM
INIDASE


(Thermotoga
neapolitana)
PF00933
(Glyco_hydro_3)
4 ARG A  21
GLU A  18
GLU A  19
ARG A 279
None
1.24A 4bqfB-5bzaA:
undetectable
4bqfB-5bzaA:
19.89
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.
5d39 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 6


(Homo sapiens)
PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
4 ARG A 260
GLU A 191
GLU A 189
ARG A 140
None
1.12A 4bqfB-5d39A:
undetectable
4bqfB-5d39A:
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.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR


(Pseudomonas
aeruginosa)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 ARG A 606
GLU A 604
GLU A 614
LYS A 611
None
1.24A 4bqfB-5fokA:
undetectable
4bqfB-5fokA:
22.02
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR


(Acinetobacter
baumannii)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 ARG A 136
ARG A  85
GLU A 581
LYS A 459
None
1.19A 4bqfB-5fr8A:
undetectable
4bqfB-5fr8A:
21.89
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.
5hhl RETRON-TYPE REVERSE
TRANSCRIPTASE


([Eubacterium]
rectale)
PF00078
(RVT_1)
4 GLU A 209
GLU A 213
LYS A 216
ARG A 217
None
0.93A 4bqfB-5hhlA:
undetectable
4bqfB-5hhlA:
17.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM


(Homo sapiens)
PF00343
(Phosphorylase)
4 TRP A 361
ARG A 398
GLU A 401
ARG A 409
None
0.66A 4bqfB-5ikpA:
48.4
4bqfB-5ikpA:
45.56
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.
5lj6 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB


(Aggregatibacter
actinomycetemcomitans)
no annotation 4 ARG A 267
GLU A 546
GLU A 550
ARG A 554
None
1.24A 4bqfB-5lj6A:
undetectable
4bqfB-5lj6A:
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.
5lq3 CMEB

(Campylobacter
jejuni)
PF00873
(ACR_tran)
4 ARG A 966
GLU A 942
GLU A 947
LYS A 951
None
0.90A 4bqfB-5lq3A:
undetectable
4bqfB-5lq3A:
22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE


(Hordeum vulgare)
PF00343
(Phosphorylase)
4 MET A 398
TRP A 405
ARG A 442
GLU A 445
None
0.25A 4bqfB-5lrbA:
59.9
4bqfB-5lrbA:
55.89
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.
5lxe F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE 1


(Rhodococcus
jostii)
PF00296
(Bac_luciferase)
4 ARG A 269
GLU A 266
GLU A 268
ARG A  44
None
1.22A 4bqfB-5lxeA:
undetectable
4bqfB-5lxeA:
18.75
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.
5ly3 ACTIN/ACTIN FAMILY
PROTEIN


(Pyrobaculum
calidifontis)
PF00022
(Actin)
4 GLU A 231
GLU A 235
LYS A 238
ARG A 239
None
ADP  A 501 (-2.7A)
ADP  A 501 (-2.8A)
ADP  A 501 (-3.4A)
0.65A 4bqfB-5ly3A:
undetectable
4bqfB-5ly3A:
20.23
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.
5m89 SPLICEOSOME WD40 SC

(Chaetomium
thermophilum)
no annotation 4 ARG A 462
TRP A 184
GLU A 214
GLU A 459
None
1.01A 4bqfB-5m89A:
undetectable
4bqfB-5m89A:
6.76
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.
5ns3 50S RIBOSOMAL
PROTEIN L5


(Thermus
thermophilus)
no annotation 4 ARG A  21
GLU A  18
GLU A  14
LYS A  10
None
1.17A 4bqfB-5ns3A:
undetectable
4bqfB-5ns3A:
7.21
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.
5o32 COMPLEMENT FACTOR
H,COMPLEMENT FACTOR
H


(Homo sapiens)
PF00084
(Sushi)
4 ARG C1215
GLU C1198
GLU C1195
ARG C1192
None
1.14A 4bqfB-5o32C:
undetectable
4bqfB-5o32C:
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.
5oho TRANSCRIPTION
ELONGATION FACTOR
SPT5


(Homo sapiens)
PF00467
(KOW)
4 ARG A 555
GLU A 556
GLU A 554
ARG A 552
None
1.15A 4bqfB-5ohoA:
undetectable
4bqfB-5ohoA:
10.46
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis)
PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
4 ARG A 226
GLU A 209
GLU A 225
ARG A 251
None
0.88A 4bqfB-5vywA:
2.7
4bqfB-5vywA:
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.
5wa3 PYRIDINE SYNTHASE
TBTD


(Thermobispora
bispora)
no annotation 4 ARG A 100
TRP A  47
GLU A 103
GLU A 105
None
1.09A 4bqfB-5wa3A:
undetectable
4bqfB-5wa3A:
6.78
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.
5xpz FERMITIN FAMILY
HOMOLOG 2


(Mus musculus)
PF00373
(FERM_M)
4 ARG A 576
GLU A 583
GLU A 584
ARG A 595
None
1.25A 4bqfB-5xpzA:
undetectable
4bqfB-5xpzA:
20.48
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.
5yvs ALCOHOL
DEHYDROGENASE


(candidate
divison MSBL1
archaeon
SCGC-AAA259E19)
no annotation 4 ARG A 228
GLU A 231
GLU A 235
ARG A 239
None
1.01A 4bqfB-5yvsA:
undetectable
4bqfB-5yvsA:
7.22
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.
5yvs ALCOHOL
DEHYDROGENASE


(candidate
divison MSBL1
archaeon
SCGC-AAA259E19)
no annotation 4 ARG A 228
GLU A 231
GLU A 235
ARG A 239
None
1.10A 4bqfB-5yvsA:
undetectable
4bqfB-5yvsA:
7.22
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.
6blb HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB


(Pseudomonas
aeruginosa)
no annotation 4 GLU A 206
GLU A 212
LYS A 215
ARG A 216
None
0.83A 4bqfB-6blbA:
undetectable
4bqfB-6blbA:
19.11
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.
6byi BETA-MANNOSIDASE

(Xanthomonas
citri)
no annotation 4 ARG A 728
GLU A 745
GLU A 780
ARG A 790
None
0.85A 4bqfB-6byiA:
3.1
4bqfB-6byiA:
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.
6d95 -

(-)
no annotation 4 ARG A 747
TRP A 775
GLU A 750
LYS A 467
None
None
None
U  B   1 ( 2.7A)
1.24A 4bqfB-6d95A:
undetectable
4bqfB-6d95A:
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.
6h25

()
no annotation 4 ARG A 229
GLU B 207
GLU A 230
ARG B 204
None
1.18A 4bqfB-6h25A:
undetectable
4bqfB-6h25A:
undetectable