SIMILAR PATTERNS OF AMINO ACIDS FOR 4A97_D_ZPCD1318_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bg4 ENDO-1,4-BETA-XYLANA
SE


(Penicillium
simplicissimum)
PF00331
(Glyco_hydro_10)
4 GLU A  56
PHE A  62
HIS A  84
VAL A  71
None
None
GOL  A 629 ( 3.8A)
None
1.04A 4a97D-1bg4A:
undetectable
4a97D-1bg4A:
21.30
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN


(Propionibacterium
freudenreichii)
PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
4 GLU A 447
ILE A 566
GLU A 448
VAL A 427
None
1.02A 4a97D-1e1cA:
undetectable
4a97D-1e1cA:
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE


(Escherichia
coli)
PF00343
(Phosphorylase)
4 ILE A 627
GLU A 629
TYR A 747
VAL A 706
None
1.10A 4a97D-1e4oA:
2.7
4a97D-1e4oA:
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.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa)
PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target)
4 GLU A 591
ILE A 594
TYR A 502
VAL A 455
None
1.06A 4a97D-1ikpA:
0.1
4a97D-1ikpA:
19.79
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.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii)
PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
4 GLU A 252
ILE A 218
GLU A 253
PHE A 256
None
0.97A 4a97D-1ixkA:
undetectable
4a97D-1ixkA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E


(Enterococcus
faecalis)
PF01636
(APH)
4 ILE A 112
PHE A 242
HIS A 188
VAL A 185
None
0.83A 4a97D-1l8tA:
0.6
4a97D-1l8tA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qfc PROTEIN (PURPLE ACID
PHOSPHATASE)


(Rattus
norvegicus)
PF00149
(Metallophos)
4 GLU A  69
PHE A  23
TYR A 104
VAL A  98
None
0.95A 4a97D-1qfcA:
undetectable
4a97D-1qfcA:
20.99
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE


(Medicago sativa)
PF01596
(Methyltransf_3)
4 GLU A  85
ILE A 107
HIS A  43
VAL A  38
SAH  A 301 (-4.1A)
None
None
None
1.06A 4a97D-1susA:
undetectable
4a97D-1susA:
20.82
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.
1x1q TRYPTOPHAN SYNTHASE
BETA CHAIN


(Thermus
thermophilus)
PF00291
(PALP)
4 GLU A 336
ILE A 260
PHE A  30
VAL A  38
None
CL  A1001 (-4.0A)
None
None
1.09A 4a97D-1x1qA:
undetectable
4a97D-1x1qA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xr0 FGFR SIGNALLING
ADAPTOR SNT-1


(Homo sapiens)
PF02174
(IRS)
4 GLU B  44
ILE B  46
GLU B  39
VAL B  13
None
1.08A 4a97D-1xr0B:
undetectable
4a97D-1xr0B:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ygu LEUKOCYTE COMMON
ANTIGEN


(Homo sapiens)
PF00102
(Y_phosphatase)
4 GLU A 894
GLU A1167
TYR A 767
VAL A 722
None
0.87A 4a97D-1yguA:
undetectable
4a97D-1yguA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zhn CD1D1 ANTIGEN

(Mus musculus)
PF07654
(C1-set)
PF16497
(MHC_I_3)
4 GLU A 105
GLU A 113
PHE A 115
VAL A 136
None
1.10A 4a97D-1zhnA:
2.3
4a97D-1zhnA:
17.87
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii)
PF03372
(Exo_endo_phos)
4 ILE A 218
TYR A 169
HIS A 151
VAL A 137
None
1.07A 4a97D-1zwxA:
undetectable
4a97D-1zwxA:
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.
2czr TBP-INTERACTING
PROTEIN


(Thermococcus
kodakarensis)
PF15517
(TBPIP_N)
4 GLU A 151
ILE A 170
TYR A 147
HIS A 179
None
1.07A 4a97D-2czrA:
undetectable
4a97D-2czrA:
19.00
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.
2di4 CELL DIVISION
PROTEIN FTSH HOMOLOG


(Aquifex
aeolicus)
PF01434
(Peptidase_M41)
4 GLU A 480
ILE A 489
GLU A 481
TYR A 559
None
1.03A 4a97D-2di4A:
undetectable
4a97D-2di4A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dph FORMALDEHYDE
DISMUTASE


(Pseudomonas
putida)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 ILE A 170
GLU A  67
PHE A  92
VAL A  58
None
ZN  A1002 ( 4.6A)
NAD  A1403 (-4.2A)
None
1.06A 4a97D-2dphA:
undetectable
4a97D-2dphA:
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium)
PF00232
(Glyco_hydro_1)
4 GLU A  22
ILE A  21
TYR A  76
VAL A 111
None
1.07A 4a97D-2e3zA:
undetectable
4a97D-2e3zA:
20.70
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.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli)
PF00484
(Pro_CA)
4 GLU A 148
TYR A  99
HIS A 184
VAL A  47
None
1.07A 4a97D-2esfA:
undetectable
4a97D-2esfA:
21.27
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus)
PF01432
(Peptidase_M3)
4 ILE A 372
GLU A 374
PHE A 113
TYR A  91
None
0.97A 4a97D-2h1nA:
1.9
4a97D-2h1nA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h8r HEPATOCYTE NUCLEAR
FACTOR 1-BETA


(Homo sapiens)
PF00046
(Homeobox)
PF04814
(HNF-1_N)
4 GLU A 138
GLU A 178
HIS A 284
VAL A 278
None
0.94A 4a97D-2h8rA:
undetectable
4a97D-2h8rA:
20.20
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.
2hiv THERMOSTABLE DNA
LIGASE


(Sulfolobus
solfataricus)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
4 GLU A 406
TYR A 259
HIS A 387
VAL A 413
None
0.96A 4a97D-2hivA:
undetectable
4a97D-2hivA:
18.70
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.
2lm3 TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5


(Macaca mulatta)
PF00622
(SPRY)
4 GLU A 395
GLU A 392
TYR A 480
VAL A 453
None
1.03A 4a97D-2lm3A:
undetectable
4a97D-2lm3A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o04 PECTATE LYASE

(Bacillus
subtilis)
PF00544
(Pec_lyase_C)
4 ILE A 196
TYR A 242
HIS A 243
VAL A 277
None
1.07A 4a97D-2o04A:
undetectable
4a97D-2o04A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvw GLP_546_48378_50642

(Giardia
intestinalis)
PF00636
(Ribonuclease_3)
PF02170
(PAZ)
4 ILE A 346
GLU A 424
PHE A 414
HIS A 568
None
0.86A 4a97D-2qvwA:
undetectable
4a97D-2qvwA:
17.48
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN


(Staphylococcus
haemolyticus)
PF01409
(tRNA-synt_2d)
4 GLU A 118
GLU A 347
TYR A 324
VAL A 277
None
1.04A 4a97D-2rhqA:
undetectable
4a97D-2rhqA:
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.
2uxo HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR


(Pseudomonas
putida)
PF00440
(TetR_N)
PF08361
(TetR_C_2)
4 ILE A 109
GLU A  21
PHE A  24
VAL A  43
None
0.91A 4a97D-2uxoA:
undetectable
4a97D-2uxoA:
21.07
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
4 GLU A  90
PHE A 156
TYR A 153
HIS A 151
EDO  A1875 (-3.3A)
None
None
None
1.03A 4a97D-2vmfA:
undetectable
4a97D-2vmfA:
17.23
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1


(Gracilariopsis
lemaneiformis)
PF01055
(Glyco_hydro_31)
4 ILE A 147
TYR A  89
HIS A 325
VAL A 337
None
None
None
CSO  A 336 ( 3.4A)
1.08A 4a97D-2x2iA:
undetectable
4a97D-2x2iA:
14.97
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.
2xss CGMP-SPECIFIC 3',
5'-CYCLIC
PHOSPHODIESTERASE


(Homo sapiens)
PF01590
(GAF)
4 GLU A 390
GLU A 392
TYR A 409
VAL A 415
None
1.04A 4a97D-2xssA:
undetectable
4a97D-2xssA:
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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN


(Yersinia pestis)
PF00496
(SBP_bac_5)
4 GLU A 422
TYR A 420
HIS A 161
VAL A  48
None
1.10A 4a97D-2z23A:
undetectable
4a97D-2z23A:
19.92
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.
3adf MONOMERIC AZAMI
GREEN


(Galaxea
fascicularis)
PF01353
(GFP)
4 GLU A 144
TYR A 177
HIS A  88
VAL A 183
None
0.94A 4a97D-3adfA:
undetectable
4a97D-3adfA:
22.30
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1)
no annotation 4 ILE A 372
GLU A 374
PHE A 113
TYR A  91
None
0.97A 4a97D-3ahmA:
2.3
4a97D-3ahmA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6b GLUTARYL-COA
DEHYDROGENASE


(Burkholderia
pseudomallei)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 GLU A  57
TYR A  32
HIS A  30
VAL A  25
None
1.07A 4a97D-3d6bA:
3.6
4a97D-3d6bA:
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.
3d6e BETA-GLUCANASE

(Bacillus
licheniformis)
PF00722
(Glyco_hydro_16)
4 GLU A  33
PHE A  10
TYR A 131
HIS A 132
None
1.06A 4a97D-3d6eA:
undetectable
4a97D-3d6eA:
19.87
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
4 GLU A 335
TYR A 238
HIS A 237
VAL A 297
None
0.95A 4a97D-3decA:
1.6
4a97D-3decA:
15.22
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.
3fa3 2,3-DIMETHYLMALATE
LYASE


(Aspergillus
niger)
PF13714
(PEP_mutase)
4 GLU A 191
GLU A 116
PHE A 189
VAL A 110
OAF  A 501 (-2.8A)
None
None
None
1.08A 4a97D-3fa3A:
undetectable
4a97D-3fa3A:
19.82
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.
3i12 D-ALANINE-D-ALANINE
LIGASE A


(Salmonella
enterica)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
4 GLU A 230
ILE A 247
GLU A 228
VAL A 219
None
None
ADP  A 365 (-2.9A)
None
0.71A 4a97D-3i12A:
undetectable
4a97D-3i12A:
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.
3jty BENF-LIKE PORIN

(Pseudomonas
protegens)
PF03573
(OprD)
4 GLU A 408
GLU A 373
PHE A 406
VAL A 359
None
1.08A 4a97D-3jtyA:
undetectable
4a97D-3jtyA:
19.90
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus)
PF03372
(Exo_endo_phos)
4 ILE A 183
TYR A 134
HIS A 116
VAL A 102
None
1.08A 4a97D-3k55A:
undetectable
4a97D-3k55A:
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.
3o5s BETA-GLUCANASE

(Bacillus
subtilis)
PF00722
(Glyco_hydro_16)
4 GLU A  74
PHE A  38
TYR A 172
HIS A 173
None
1.05A 4a97D-3o5sA:
undetectable
4a97D-3o5sA:
18.04
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.
3ohw PHYCOBILISOME LCM
CORE-MEMBRANE LINKER
POLYPEPTIDE


(Synechocystis
sp. PCC 6803)
no annotation 4 GLU B 764
ILE B 756
HIS B 807
VAL B 839
None
1.11A 4a97D-3ohwB:
undetectable
4a97D-3ohwB:
19.93
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3


(Rattus
norvegicus)
PF01094
(ANF_receptor)
4 ILE A  52
GLU A  26
TYR A  13
HIS A  56
None
1.07A 4a97D-3olzA:
undetectable
4a97D-3olzA:
22.38
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.
3p2y ALANINE
DEHYDROGENASE/PYRIDI
NE NUCLEOTIDE
TRANSHYDROGENASE


(Mycolicibacterium
smegmatis)
PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N)
4 GLU A  14
PHE A  90
HIS A 317
VAL A  23
None
0.99A 4a97D-3p2yA:
undetectable
4a97D-3p2yA:
21.62
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.
3pay PUTATIVE ADHESIN

(Bacteroides
ovatus)
PF08842
(Mfa2)
4 ILE A 217
GLU A 201
HIS A 144
VAL A 100
None
1.09A 4a97D-3payA:
undetectable
4a97D-3payA:
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.
3pvt PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAA


(Escherichia
coli)
PF05138
(PaaA_PaaC)
4 GLU A 263
PHE A 264
TYR A 110
VAL A  44
None
3HC  A 310 (-4.8A)
None
None
1.07A 4a97D-3pvtA:
undetectable
4a97D-3pvtA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG


(Mus musculus)
PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2)
4 GLU A 247
TYR A 265
HIS A 266
VAL A 271
None
1.10A 4a97D-3s51A:
4.9
4a97D-3s51A:
12.18
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.
3sk7 PROTEIN SEQA

(Vibrio cholerae)
PF03925
(SeqA)
4 GLU A  77
PHE A  78
HIS A  96
VAL A 143
None
1.07A 4a97D-3sk7A:
undetectable
4a97D-3sk7A:
15.91
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F


(Bacillus
anthracis)
no annotation 4 ILE A 372
GLU A 374
PHE A 113
TYR A  91
None
0.86A 4a97D-3sksA:
2.5
4a97D-3sksA:
19.64
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.
3uv9 TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5


(Macaca mulatta)
PF00622
(SPRY)
4 GLU A 395
GLU A 392
TYR A 480
VAL A 453
None
1.04A 4a97D-3uv9A:
undetectable
4a97D-3uv9A:
18.27
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis)
PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
4 ILE A1508
GLU A1505
TYR A1445
VAL A1323
None
1.06A 4a97D-3va7A:
undetectable
4a97D-3va7A:
12.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT


(Thermochromatium
tepidum)
PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind)
4 GLU B 167
ILE B 340
GLU B  47
VAL B  60
None
0.88A 4a97D-3vrdB:
undetectable
4a97D-3vrdB:
20.55
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.
3zvu ABSCISIC ACID
RECEPTOR PYR1


(Arabidopsis
thaliana)
PF10604
(Polyketide_cyc2)
4 GLU A  94
ILE A 110
HIS A  34
VAL A 139
None
A8S  A 192 (-4.6A)
None
None
0.93A 4a97D-3zvuA:
undetectable
4a97D-3zvuA:
18.85
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.
4a2n ISOPRENYLCYSTEINE
CARBOXYL
METHYLTRANSFERASE


(Methanosarcina
acetivorans)
PF04140
(ICMT)
4 GLU B  42
GLU B 167
TYR B 129
HIS B 131
None
SAH  B1193 (-3.5A)
SAH  B1193 (-3.4A)
None
1.05A 4a97D-4a2nB:
2.6
4a97D-4a2nB:
19.43
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.
4btf MIXED LINEAGE KINASE
DOMAIN-LIKE PROTEIN


(Mus musculus)
PF07714
(Pkinase_Tyr)
4 GLU A 338
ILE A 254
PHE A 337
VAL A 388
None
1.06A 4a97D-4btfA:
3.9
4a97D-4btfA:
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius)
PF03512
(Glyco_hydro_52)
4 GLU A 376
TYR A 338
HIS A  33
VAL A 124
None
1.06A 4a97D-4c1oA:
3.0
4a97D-4c1oA:
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.
4eyu LYSINE-SPECIFIC
DEMETHYLASE 6B


(Mus musculus)
PF02373
(JmjC)
4 GLU A1625
GLU A1626
TYR A1563
VAL A1618
None
1.09A 4a97D-4eyuA:
2.2
4a97D-4eyuA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1


(Caenorhabditis
elegans)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
4 ILE A 106
PHE A 778
HIS A 234
VAL A 362
None
1.01A 4a97D-4f4cA:
undetectable
4a97D-4f4cA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7k LACCASE

(uncultured
bacterium)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
4 ILE A 297
PHE A 244
HIS A 153
VAL A 194
None
0.78A 4a97D-4f7kA:
2.9
4a97D-4f7kA:
20.43
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN


(Ustilago maydis)
PF01336
(tRNA_anti-codon)
4 ILE B 154
GLU B 158
HIS B 149
VAL B 107
None
0.89A 4a97D-4gnxB:
undetectable
4a97D-4gnxB:
21.31
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.
4ncj DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE


(Pyrococcus
furiosus)
PF02463
(SMC_N)
4 GLU A 786
GLU A 766
PHE A 779
VAL A 157
None
1.02A 4a97D-4ncjA:
undetectable
4a97D-4ncjA:
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.
4nzr PGT135 HEAVY CHAIN
PROTEIN M TD


(Homo sapiens;
Mycoplasma
genitalium)
PF07654
(C1-set)
PF07686
(V-set)
no annotation
4 GLU M 427
ILE M 449
TYR H  32
HIS H  95
None
0.71A 4a97D-4nzrM:
undetectable
4a97D-4nzrM:
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.
4pbq PUTATIVE TRAP
PERIPLASMIC SOLUTE
BINDING PROTEIN


(Haemophilus
influenzae)
PF03480
(DctP)
4 GLU A 207
PHE A 175
HIS A  32
VAL A  77
None
2UF  A 401 (-4.5A)
None
None
0.92A 4a97D-4pbqA:
undetectable
4a97D-4pbqA:
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.
4pdb 30S RIBOSOMAL
PROTEIN S8


(Bacillus
anthracis)
PF00410
(Ribosomal_S8)
4 GLU A  73
ILE A  75
GLU A  49
PHE A  86
None
0.94A 4a97D-4pdbA:
undetectable
4a97D-4pdbA:
17.25
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.
4r4g PUTATIVE LIPOPROTEIN
YCDA


(Bacillus
subtilis)
PF11611
(DUF4352)
PF17118
(DUF5105)
4 GLU A 354
ILE A 352
TYR A 307
VAL A 284
None
1.11A 4a97D-4r4gA:
undetectable
4a97D-4r4gA:
21.97
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.
4r4g PUTATIVE LIPOPROTEIN
YCDA


(Bacillus
subtilis)
PF11611
(DUF4352)
PF17118
(DUF5105)
4 GLU A 354
ILE A 352
TYR A 307
VAL A 300
None
0.84A 4a97D-4r4gA:
undetectable
4a97D-4r4gA:
21.97
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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus)
PF03512
(Glyco_hydro_52)
4 GLU A 354
TYR A 316
HIS A  10
VAL A 102
None
1.03A 4a97D-4rhhA:
2.5
4a97D-4rhhA:
17.61
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.
4rs2 PREDICTED
ACYLTRANSFERASE WITH
ACYL-COA
N-ACYLTRANSFERASE
DOMAIN


(Escherichia
coli)
PF13508
(Acetyltransf_7)
4 ILE A  14
GLU A   6
HIS A 163
VAL A  62
None
0.91A 4a97D-4rs2A:
undetectable
4a97D-4rs2A:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL


(Dickeya
chrysanthemi)
PF02931
(Neur_chan_LBD)
5 GLU A  77
ILE A  79
GLU A 131
PHE A 133
TYR A 175
BR7  A 401 ( 4.9A)
None
BR7  A 401 (-4.1A)
BR7  A 401 (-4.5A)
BR7  A 401 (-3.9A)
0.54A 4a97D-4twfA:
33.6
4a97D-4twfA:
99.35
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.
4x0q DNA POLYMERASE THETA

(Homo sapiens)
PF00476
(DNA_pol_A)
4 GLU A2049
ILE A2053
HIS A2236
VAL A2232
None
None
None
GOL  A2602 (-4.5A)
1.03A 4a97D-4x0qA:
undetectable
4a97D-4x0qA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL


(Dickeya
chrysanthemi;
Gloeobacter
violaceus)
PF02931
(Neur_chan_LBD)
6 GLU A  77
ILE A  79
GLU A 131
PHE A 133
TYR A 175
HIS A 177
None
0.70A 4a97D-4yeuA:
29.5
4a97D-4yeuA:
71.88
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.
5daj NALD

(Pseudomonas
aeruginosa)
PF00440
(TetR_N)
PF08361
(TetR_C_2)
4 ILE A 108
GLU A  20
PHE A  23
VAL A  42
None
0.90A 4a97D-5dajA:
4.0
4a97D-5dajA:
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.
5dh2 SIDEROPHORE
PERIPLASMIC BINDING
PROTEIN


(Thermobifida
fusca)
PF01497
(Peripla_BP_2)
4 GLU A 101
ILE A 118
PHE A 102
TYR A 125
None
1.07A 4a97D-5dh2A:
undetectable
4a97D-5dh2A:
22.38
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.
5dqf SERUM ALBUMIN

(Equus caballus)
PF00273
(Serum_albumin)
4 GLU A 229
PHE A 222
TYR A 262
VAL A 240
None
1.03A 4a97D-5dqfA:
3.1
4a97D-5dqfA:
19.72
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.
5ejj UFM1-SPECIFIC
PROTEASE


(Caenorhabditis
elegans)
PF07910
(Peptidase_C78)
4 ILE A 367
GLU A 538
TYR A 534
HIS A 533
None
0.82A 4a97D-5ejjA:
2.5
4a97D-5ejjA:
20.63
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.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA


(Homo sapiens)
PF00183
(HSP90)
PF02518
(HATPase_c)
4 ILE A 441
TYR A 457
HIS A 458
VAL A 494
None
1.09A 4a97D-5fwmA:
2.0
4a97D-5fwmA:
18.24
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.
5g4l OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN


(Clostridium sp.)
PF13561
(adh_short_C2)
4 GLU A  60
GLU A  64
PHE A  61
VAL A  15
None
1.10A 4a97D-5g4lA:
undetectable
4a97D-5g4lA:
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.
5ghk SERUM ALBUMIN

(Canis lupus)
PF00273
(Serum_albumin)
4 GLU A 230
PHE A 223
TYR A 263
VAL A 241
None
0.99A 4a97D-5ghkA:
2.1
4a97D-5ghkA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i1f UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE


(Burkholderia
vietnamiensis)
PF00483
(NTP_transferase)
4 GLU A 161
PHE A 202
TYR A 249
VAL A 149
None
1.06A 4a97D-5i1fA:
undetectable
4a97D-5i1fA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i1f UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE


(Burkholderia
vietnamiensis)
PF00483
(NTP_transferase)
4 GLU A 162
GLU A 161
PHE A 202
VAL A 149
None
1.01A 4a97D-5i1fA:
undetectable
4a97D-5i1fA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis)
PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
4 ILE A1508
GLU A1505
TYR A1445
VAL A1323
None
1.03A 4a97D-5i8iA:
3.4
4a97D-5i8iA:
10.28
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.
5kvp ZOOCIN A
ENDOPEPTIDASE


(Streptococcus
equi)
PF01551
(Peptidase_M23)
4 ILE A  93
PHE A  57
HIS A 120
VAL A  35
None
1.08A 4a97D-5kvpA:
undetectable
4a97D-5kvpA:
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.
5kz5 CYSTEINE
DESULFURASE,
MITOCHONDRIAL


(Homo sapiens)
PF00266
(Aminotran_5)
4 GLU 1 416
TYR 1 317
HIS 1 319
VAL 1 310
None
0.94A 4a97D-5kz51:
undetectable
4a97D-5kz51:
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.
5l2q SERINE/THREONINE-PRO
TEIN KINASE 40


(Homo sapiens)
no annotation 4 ILE C 278
GLU C 281
PHE C 283
VAL C 262
None
1.08A 4a97D-5l2qC:
undetectable
4a97D-5l2qC:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m0k BETA-XYLANASE

(Cellulomonas
flavigena)
no annotation 4 GLU A  53
PHE A  59
HIS A  81
VAL A  68
None
1.02A 4a97D-5m0kA:
undetectable
4a97D-5m0kA:
12.06
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC


(Pseudomonas
protegens)
no annotation 4 ILE C  60
GLU C 116
PHE C  26
VAL C  51
None
1.02A 4a97D-5mg5C:
undetectable
4a97D-5mg5C:
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.
5mrj BETA-XYLANASE

(Acremonium
chrysogenum)
no annotation 4 GLU A 145
PHE A 151
HIS A 173
VAL A 160
None
1.08A 4a97D-5mrjA:
undetectable
4a97D-5mrjA:
9.49
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.
5o64 REACTION CENTER
PROTEIN H CHAIN


(Blastochloris
viridis)
PF03967
(PRCH)
PF05239
(PRC)
5 GLU H 234
ILE H 230
GLU H 235
HIS H  72
VAL H  76
None
1.20A 4a97D-5o64H:
undetectable
4a97D-5o64H:
20.75
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.
5t1p ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN


(Campylobacter
jejuni)
PF13343
(SBP_bac_6)
4 ILE A  22
GLU A 276
PHE A 277
TYR A 112
None
0.99A 4a97D-5t1pA:
undetectable
4a97D-5t1pA:
20.16
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.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN


(Mycobacterium
tuberculosis)
PF00291
(PALP)
4 GLU B 326
ILE B 252
PHE B  19
VAL B  30
None
1.06A 4a97D-5tchB:
undetectable
4a97D-5tchB:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5td7 ZGC:55652

(Danio rerio)
PF00850
(Hist_deacetyl)
4 GLU A  28
TYR A  16
HIS A 103
VAL A  74
None
1.00A 4a97D-5td7A:
undetectable
4a97D-5td7A:
17.23
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.
5v9x ATP-DEPENDENT DNA
HELICASE


(Mycolicibacterium
smegmatis)
no annotation 4 GLU A 558
GLU A 554
HIS A 689
VAL A 817
None
1.10A 4a97D-5v9xA:
undetectable
4a97D-5v9xA:
13.97
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.
5wtk CRISPR-ASSOCIATED
ENDORIBONUCLEASE
C2C2


(Leptotrichia
shahii)
no annotation 4 ILE A1376
GLU A1350
PHE A1325
VAL A1303
None
0.89A 4a97D-5wtkA:
2.7
4a97D-5wtkA:
11.42
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.
5x6o SERINE/THREONINE-PRO
TEIN KINASE MEC1


(Saccharomyces
cerevisiae)
no annotation 4 GLU C1568
GLU C1540
TYR C1665
HIS C1625
None
1.00A 4a97D-5x6oC:
3.9
4a97D-5x6oC:
14.87
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.
5z7h LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR


(Staphylococcus
aureus)
no annotation 4 ILE A 189
GLU A 181
TYR A 204
VAL A 174
None
1.08A 4a97D-5z7hA:
undetectable
4a97D-5z7hA:
14.24
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.
5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL


(Homo sapiens)
no annotation 4 GLU A 238
ILE A 237
HIS A  40
VAL A  75
None
1.06A 4a97D-5zqzA:
undetectable
4a97D-5zqzA:
12.91
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae)
no annotation 4 GLU A 400
GLU A 448
TYR A 522
VAL A 694
None
1.04A 4a97D-6arxA:
undetectable
4a97D-6arxA:
14.95
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.
6bpc RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE


(Plasmodium
vivax)
no annotation 4 GLU A 255
ILE A 251
GLU A 380
TYR A 177
None
0.65A 4a97D-6bpcA:
4.0
4a97D-6bpcA:
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.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE


(Plasmodium
vivax)
no annotation 4 GLU E 255
ILE E 251
GLU E 380
TYR E 177
None
0.95A 4a97D-6d04E:
4.0
4a97D-6d04E:
14.01
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.
6fkh ATP SYNTHASE SUBUNIT
BETA, CHLOROPLASTIC


(Spinacia
oleracea)
no annotation 4 GLU D 150
PHE D 149
TYR D 448
VAL D 437
None
0.98A 4a97D-6fkhD:
2.3
4a97D-6fkhD:
18.40
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.
6g3u -

(-)
no annotation 4 GLU A 615
ILE A 619
GLU A 616
VAL A 410
None
1.06A 4a97D-6g3uA:
undetectable
4a97D-6g3uA:
undetectable