SIMILAR PATTERNS OF AMINO ACIDS FOR 4A97_H_ZPCH1318_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.
1cyq INTRON-ENCODED
HOMING ENDONUCLEASE
I-PPOI


(Physarum
polycephalum)
no annotation 4 GLU A  16
ILE A  12
VAL A 136
PHE A  82
None
0.97A 4a97H-1cyqA:
undetectable
4a97H-1cyqA:
17.26
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.
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
1.05A 4a97H-1e1cA:
0.0
4a97H-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.
1gpp ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae)
PF05203
(Hom_end_hint)
4 ILE A  21
HIS A 442
VAL A  82
PHE A   2
None
0.83A 4a97H-1gppA:
undetectable
4a97H-1gppA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jov HI1317

(Haemophilus
influenzae)
PF01263
(Aldose_epim)
4 ILE A  75
HIS A 134
VAL A 108
PHE A 112
None
1.10A 4a97H-1jovA:
undetectable
4a97H-1jovA:
20.92
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.
1jqp DIPEPTIDYL PEPTIDASE
I


(Rattus
norvegicus)
PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc)
4 GLU A  84
TYR A  93
HIS A  95
VAL A 114
None
1.08A 4a97H-1jqpA:
0.0
4a97H-1jqpA:
18.91
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.
1rtr GERANYLTRANSTRANSFER
ASE


(Staphylococcus
aureus)
PF00348
(polyprenyl_synt)
4 GLU A 201
GLU A 204
HIS A 261
VAL A 285
None
1.06A 4a97H-1rtrA:
undetectable
4a97H-1rtrA:
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.
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
1.05A 4a97H-1susA:
0.0
4a97H-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.
1um2 ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae)
PF05203
(Hom_end_hint)
PF05204
(Hom_end)
4 ILE A 304
HIS A 725
VAL A 365
PHE A 285
None
1.03A 4a97H-1um2A:
undetectable
4a97H-1um2A:
19.31
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.
1wst MULTIPLE SUBSTRATE
AMINOTRANSFERASE


(Thermococcus
profundus)
PF00155
(Aminotran_1_2)
4 GLU A 227
TYR A 100
HIS A 240
VAL A 107
None
1.12A 4a97H-1wstA:
0.0
4a97H-1wstA:
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.
1wst MULTIPLE SUBSTRATE
AMINOTRANSFERASE


(Thermococcus
profundus)
PF00155
(Aminotran_1_2)
4 GLU A 227
TYR A 100
HIS A 240
VAL A 247
None
1.08A 4a97H-1wstA:
0.0
4a97H-1wstA:
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.
1xec DECORIN

(Bos taurus)
PF01462
(LRRNT)
PF13855
(LRR_8)
4 ILE A 265
HIS A 271
VAL A 305
PHE A 283
None
1.11A 4a97H-1xecA:
0.0
4a97H-1xecA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xmb IAA-AMINO ACID
HYDROLASE HOMOLOG 2


(Arabidopsis
thaliana)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 ILE A  54
HIS A 154
VAL A 164
PHE A 168
None
1.02A 4a97H-1xmbA:
undetectable
4a97H-1xmbA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xr0 FGFR SIGNALLING
ADAPTOR SNT-1


(Homo sapiens)
PF02174
(IRS)
4 GLU B  44
ILE B  46
GLU B  39
VAL B  13
None
1.07A 4a97H-1xr0B:
undetectable
4a97H-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.
1y63 LMAJ004144AAA
PROTEIN


(Leishmania
major)
PF13238
(AAA_18)
4 GLU A  69
ILE A  64
TYR A  90
VAL A 104
None
None
MN  A 356 ( 4.7A)
None
0.95A 4a97H-1y63A:
undetectable
4a97H-1y63A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ygu LEUKOCYTE COMMON
ANTIGEN


(Homo sapiens)
PF00102
(Y_phosphatase)
4 GLU A 894
GLU A1167
TYR A 767
VAL A 722
None
0.80A 4a97H-1yguA:
undetectable
4a97H-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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3


(Thermoplasma
acidophilum)
PF01433
(Peptidase_M1)
PF11838
(ERAP1_C)
4 ILE A 548
TYR A 529
VAL A 771
PHE A 516
None
1.10A 4a97H-1z1wA:
1.0
4a97H-1z1wA:
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.
1z7z HUMAN COXSACKIEVIRUS
A21


(Enterovirus C)
PF00073
(Rhv)
4 ILE 1 248
GLU 1 135
TYR 1 150
VAL 1 254
None
1.11A 4a97H-1z7z1:
undetectable
4a97H-1z7z1:
22.78
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.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus)
PF02073
(Peptidase_M29)
4 GLU A 343
GLU A 319
TYR A 355
PHE A 255
CO  A 503 (-2.2A)
CO  A 501 ( 2.6A)
CO  A 502 (-4.9A)
CO  A 501 ( 4.9A)
1.07A 4a97H-1zjcA:
undetectable
4a97H-1zjcA:
21.85
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.
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
0.87A 4a97H-2h8rA:
undetectable
4a97H-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.
2ifa HYPOTHETICAL PROTEIN
SMU.260


(Streptococcus
mutans)
PF00881
(Nitroreductase)
4 ILE A  36
HIS A 149
VAL A 154
PHE A  99
None
FMN  A 501 (-4.1A)
None
None
1.11A 4a97H-2ifaA:
undetectable
4a97H-2ifaA:
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.
2ke9 CASKIN-2

(Homo sapiens)
PF07653
(SH3_2)
4 ILE A 334
HIS A 325
VAL A 344
PHE A 337
None
1.10A 4a97H-2ke9A:
undetectable
4a97H-2ke9A:
12.70
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.
2nna MHC CLASS II ANTIGEN

(Homo sapiens)
PF00969
(MHC_II_beta)
PF07654
(C1-set)
4 GLU B  36
ILE B  31
VAL B  78
PHE B  11
None
1.03A 4a97H-2nnaB:
2.4
4a97H-2nnaB:
19.56
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.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE


(Caenorhabditis
elegans)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
4 GLU A 249
ILE A 465
HIS A 363
PHE A 444
None
1.04A 4a97H-2o3jA:
undetectable
4a97H-2o3jA:
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.
2r50 NON-SYMBIOTIC
HEMOGLOBIN


(Zea mays)
PF00042
(Globin)
4 GLU A 127
HIS A 117
VAL A 154
PHE A  39
None
None
HEM  A 166 ( 4.5A)
None
1.04A 4a97H-2r50A:
undetectable
4a97H-2r50A:
17.82
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.
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
0.98A 4a97H-2rhqA:
undetectable
4a97H-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.
2wmo DEDICATOR OF
CYTOKINESIS PROTEIN
9


(Homo sapiens)
PF06920
(DHR-2)
4 TYR A 155
HIS A 229
VAL A 158
PHE A 287
None
0.84A 4a97H-2wmoA:
1.3
4a97H-2wmoA:
19.35
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.
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
1.11A 4a97H-2xssA:
undetectable
4a97H-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.
2yet GH61 ISOZYME A

(Thermoascus
aurantiacus)
PF03443
(Glyco_hydro_61)
4 ILE A  91
GLU A 159
TYR A 200
HIS A 201
None
1.01A 4a97H-2yetA:
undetectable
4a97H-2yetA:
23.55
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.
3adf MONOMERIC AZAMI
GREEN


(Galaxea
fascicularis)
PF01353
(GFP)
4 GLU A 144
TYR A 177
HIS A  88
VAL A 183
None
1.02A 4a97H-3adfA:
undetectable
4a97H-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.
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
0.99A 4a97H-3decA:
1.0
4a97H-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.
3dv8 TRANSCRIPTIONAL
REGULATOR, CRP/FNR
FAMILY


([Eubacterium]
rectale)
PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2)
4 ILE A  35
GLU A  95
TYR A  57
VAL A 135
None
1.04A 4a97H-3dv8A:
undetectable
4a97H-3dv8A:
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.
3e4c CASPASE-1

(Homo sapiens)
PF00656
(Peptidase_C14)
4 ILE A 328
HIS A 356
VAL A 133
PHE A 231
None
1.01A 4a97H-3e4cA:
undetectable
4a97H-3e4cA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdb PUTATIVE
PLP-DEPENDENT
BETA-CYSTATHIONASE


(Corynebacterium
diphtheriae)
PF00155
(Aminotran_1_2)
4 ILE A 235
HIS A 191
VAL A 279
PHE A  69
None
LLP  A 222 ( 4.0A)
EDO  A 384 (-4.6A)
None
1.03A 4a97H-3fdbA:
undetectable
4a97H-3fdbA:
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.
3gyu NUCLEAR HORMONE
RECEPTOR OF THE
STEROID/THYROID
HORMONE RECEPTORS
SUPERFAMILY


(Strongyloides
stercoralis)
PF00104
(Hormone_recep)
4 ILE A 633
HIS A 643
VAL A 601
PHE A 626
None
1.10A 4a97H-3gyuA:
undetectable
4a97H-3gyuA:
21.85
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.
3i12 D-ALANINE-D-ALANINE
LIGASE A


(Salmonella
enterica)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
5 GLU A 230
ILE A 247
GLU A 228
VAL A 219
PHE A 304
None
None
ADP  A 365 (-2.9A)
None
ADP  A 365 (-4.3A)
1.25A 4a97H-3i12A:
undetectable
4a97H-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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus)
PF03372
(Exo_endo_phos)
4 ILE A 183
TYR A 134
HIS A 116
VAL A 102
None
0.98A 4a97H-3k55A:
undetectable
4a97H-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.
3n3u ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE IBPA


(Histophilus
somni)
PF02661
(Fic)
4 GLU A3751
TYR A3710
VAL A3704
PHE A3746
None
1.11A 4a97H-3n3uA:
undetectable
4a97H-3n3uA:
17.65
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.
3odw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1


(Homo sapiens)
PF00621
(RhoGEF)
4 GLU A 428
TYR A 568
VAL A 588
PHE A 474
None
1.06A 4a97H-3odwA:
undetectable
4a97H-3odwA:
19.96
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B


(Azoarcus
evansii)
no annotation 4 ILE A 324
GLU A 321
TYR A 311
PHE A  89
None
1.01A 4a97H-3pf7A:
undetectable
4a97H-3pf7A:
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.
3q6t 43.2 KDA SALIVARY
PROTEIN


(Lutzomyia
longipalpis)
PF03022
(MRJP)
4 GLU A  57
TYR A 135
VAL A 138
PHE A  77
None
1.06A 4a97H-3q6tA:
undetectable
4a97H-3q6tA:
23.02
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.
3qky OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFIO


(Rhodothermus
marinus)
PF13525
(YfiO)
4 ILE A  98
GLU A 111
TYR A 146
PHE A 142
None
0.86A 4a97H-3qkyA:
undetectable
4a97H-3qkyA:
21.15
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.
3rnl SULFOTRANSFERASE

(Alicyclobacillus
acidocaldarius)
PF13469
(Sulfotransfer_3)
4 GLU A  85
TYR A  90
VAL A 174
PHE A   9
None
1.04A 4a97H-3rnlA:
undetectable
4a97H-3rnlA:
21.32
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.
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
1.11A 4a97H-3va7A:
undetectable
4a97H-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
0.90A 4a97H-3vrdB:
undetectable
4a97H-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.
3w1g DNA LIGASE 4

(Homo sapiens)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
4 ILE A 315
TYR A 290
HIS A 282
PHE A 302
None
1.11A 4a97H-3w1gA:
undetectable
4a97H-3w1gA:
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.
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
0.90A 4a97H-3zvuA:
undetectable
4a97H-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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE


(Paenarthrobacter
aurescens)
PF00202
(Aminotran_3)
4 GLU A 200
ILE A 205
VAL A 155
PHE A 248
None
1.08A 4a97H-4atqA:
undetectable
4a97H-4atqA:
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.
4avx HEPATOCYTE GROWTH
FACTOR-REGULATED
TYROSINE KINASE
SUBSTRATE


(Homo sapiens)
PF00790
(VHS)
PF01363
(FYVE)
4 GLU A   9
TYR A  44
VAL A  79
PHE A   8
None
EDO  A1234 (-4.1A)
None
None
1.10A 4a97H-4avxA:
undetectable
4a97H-4avxA:
18.57
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.
4eis POLYSACCHARIDE
MONOOXYGENASE-3


(Neurospora
crassa)
PF03443
(Glyco_hydro_61)
4 ILE B  87
GLU B 155
TYR B 198
PHE B 170
None
0.80A 4a97H-4eisB:
undetectable
4a97H-4eisB:
22.93
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.
4eyu LYSINE-SPECIFIC
DEMETHYLASE 6B


(Mus musculus)
PF02373
(JmjC)
4 GLU A1625
GLU A1626
TYR A1563
VAL A1618
None
1.00A 4a97H-4eyuA:
undetectable
4a97H-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.
4f2a CHOLESTERYL ESTER
TRANSFER PROTEIN


(Homo sapiens)
PF01273
(LBP_BPI_CETP)
PF02886
(LBP_BPI_CETP_C)
4 ILE A 367
GLU A 365
VAL A 311
PHE A 363
2OB  A 606 (-4.7A)
None
None
None
1.07A 4a97H-4f2aA:
undetectable
4a97H-4f2aA:
20.93
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.
4f2a CHOLESTERYL ESTER
TRANSFER PROTEIN


(Homo sapiens)
PF01273
(LBP_BPI_CETP)
PF02886
(LBP_BPI_CETP_C)
4 ILE A 389
GLU A 365
VAL A 311
PHE A 363
None
0.98A 4a97H-4f2aA:
undetectable
4a97H-4f2aA:
20.93
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.
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 4a97H-4gnxB:
undetectable
4a97H-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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens)
PF02080
(TrkA_C)
PF02254
(TrkA_N)
4 ILE A 268
GLU A 279
TYR A 254
VAL A 442
None
1.06A 4a97H-4gvlA:
undetectable
4a97H-4gvlA:
21.21
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.
4hfu HEMAGGLUTININ HA1

(Influenza A
virus)
PF00509
(Hemagglutinin)
4 ILE A 179
HIS A 184
VAL A 223
PHE A 148
None
1.11A 4a97H-4hfuA:
undetectable
4a97H-4hfuA:
22.10
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.
4hh1 APPA PROTEIN

(Rhodobacter
sphaeroides)
PF04940
(BLUF)
4 GLU A  94
ILE A  96
GLU A  66
PHE A 101
None
0.94A 4a97H-4hh1A:
undetectable
4a97H-4hh1A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
4 ILE A 155
GLU A 169
VAL A 746
PHE A 705
None
1.08A 4a97H-4i3gA:
undetectable
4a97H-4i3gA:
14.84
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae)
PF02073
(Peptidase_M29)
4 GLU A 343
GLU A 319
TYR A 355
PHE A 255
ZN  A 502 ( 4.2A)
ZN  A 502 ( 2.5A)
ZN  A 501 (-4.8A)
None
1.06A 4a97H-4icqA:
undetectable
4a97H-4icqA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l3a INTERNALIN K

(Listeria
monocytogenes)
no annotation 4 ILE A 298
TYR A 321
VAL A 357
PHE A 284
None
1.07A 4a97H-4l3aA:
undetectable
4a97H-4l3aA:
20.21
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae)
PF00873
(ACR_tran)
4 ILE A 982
TYR A 524
HIS A 522
PHE A1027
None
1.06A 4a97H-4mt1A:
0.0
4a97H-4mt1A:
16.47
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.
4mt4 CMEC

(Campylobacter
jejuni)
PF02321
(OEP)
4 GLU A 145
ILE A 460
GLU A 149
PHE A 450
None
0.98A 4a97H-4mt4A:
0.0
4a97H-4mt4A:
22.41
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.
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
0.72A 4a97H-4nzrM:
undetectable
4a97H-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.
4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C


(Zea mays)
PF00171
(Aldedh)
5 ILE A 123
TYR A 205
HIS A 207
VAL A 214
PHE A 177
None
1.36A 4a97H-4pxlA:
undetectable
4a97H-4pxlA:
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.
4qlp ALANINE AND PROLINE
RICH PROTEIN,
TUBERCULOSIS
NECROTIZING TOXIN
(TNT)


(Mycobacterium
tuberculosis)
PF14021
(TNT)
4 ILE B 739
TYR B 751
HIS B 771
PHE B 747
None
0.94A 4a97H-4qlpB:
undetectable
4a97H-4qlpB:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1k UNCHARACTERIZED
PROTEIN


([Eubacterium]
siraeum)
PF17117
(DUF5104)
4 GLU A  72
ILE A 159
TYR A  57
PHE A  54
None
0.97A 4a97H-4r1kA:
undetectable
4a97H-4r1kA:
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.
4r4g PUTATIVE LIPOPROTEIN
YCDA


(Bacillus
subtilis)
PF11611
(DUF4352)
PF17118
(DUF5105)
4 GLU A 354
ILE A 352
TYR A 307
VAL A 300
None
1.07A 4a97H-4r4gA:
undetectable
4a97H-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
1.12A 4a97H-4rhhA:
0.7
4a97H-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
0.96A 4a97H-4rs2A:
undetectable
4a97H-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
TYR A 175
PHE A 188
BR7  A 401 ( 4.9A)
None
BR7  A 401 (-4.1A)
BR7  A 401 (-3.9A)
BR7  A 401 (-3.9A)
0.45A 4a97H-4twfA:
33.9
4a97H-4twfA:
99.35
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)
4 GLU A 131
TYR A 175
VAL A 181
PHE A 188
BR7  A 401 (-4.1A)
BR7  A 401 (-3.9A)
None
BR7  A 401 (-3.9A)
1.06A 4a97H-4twfA:
33.9
4a97H-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.
4u10 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE


(Aggregatibacter
actinomycetemcomitans)
PF01522
(Polysacc_deac_1)
4 ILE A 283
TYR A  33
HIS A  34
VAL A  37
None
None
ZN  A 402 ( 3.3A)
None
1.10A 4a97H-4u10A:
undetectable
4a97H-4u10A:
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.
4wgg DOUBLE BOND
REDUCTASE


(Zingiber
officinale)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
4 GLU A 236
ILE A 256
HIS A 248
PHE A 165
None
1.01A 4a97H-4wggA:
undetectable
4a97H-4wggA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.94A 4a97H-4x0qA:
0.0
4a97H-4x0qA:
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY


(Thermococcus
kodakarensis)
no annotation 4 GLU A 169
ILE A 139
HIS A   8
VAL A   5
MG  A 303 ( 4.0A)
None
None
None
1.11A 4a97H-4xf7A:
undetectable
4a97H-4xf7A:
21.18
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
TYR A 175
HIS A 177
PHE A 188
None
0.72A 4a97H-4yeuA:
29.4
4a97H-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.
5af3 VAPBC49

(Mycobacterium
tuberculosis)
PF04255
(DUF433)
4 ILE A 173
HIS A 106
VAL A 103
PHE A 164
None
1.10A 4a97H-5af3A:
undetectable
4a97H-5af3A:
23.27
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.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum)
PF00144
(Beta-lactamase)
4 GLU A 176
ILE A 190
VAL A 337
PHE A  70
None
1.01A 4a97H-5evlA:
undetectable
4a97H-5evlA:
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.
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
1.10A 4a97H-5fwmA:
undetectable
4a97H-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.
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
1.09A 4a97H-5i8iA:
undetectable
4a97H-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.
5kwl VP3

(Enterovirus C)
PF00073
(Rhv)
4 ILE 3  82
HIS 3 153
VAL 3 168
PHE 3 118
None
1.08A 4a97H-5kwl3:
undetectable
4a97H-5kwl3:
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.
5ll1 URICASE

(Danio rerio)
PF01014
(Uricase)
4 GLU A  83
ILE A  82
VAL A 188
PHE A 135
None
0.86A 4a97H-5ll1A:
undetectable
4a97H-5ll1A:
20.61
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.
5m9o STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
PF00565
(SNase)
PF00567
(TUDOR)
4 GLU A 751
HIS A 695
VAL A 698
PHE A 762
None
1.07A 4a97H-5m9oA:
undetectable
4a97H-5m9oA:
22.29
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.
5ojj UBIQUITIN-CONJUGATIN
G ENZYME E2 T


(Homo sapiens)
PF00179
(UQ_con)
4 GLU A 131
TYR A  75
HIS A 150
PHE A 139
None
1.08A 4a97H-5ojjA:
undetectable
4a97H-5ojjA:
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.
5td7 ZGC:55652

(Danio rerio)
PF00850
(Hist_deacetyl)
4 GLU A  28
TYR A  16
HIS A 103
VAL A  74
None
1.09A 4a97H-5td7A:
undetectable
4a97H-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.
5tkf LYTIC POLYSACCHARIDE
MONOOXYGENASE


(Neurospora
crassa)
PF03443
(Glyco_hydro_61)
4 ILE A  89
GLU A 152
TYR A 194
PHE A 167
None
0.63A 4a97H-5tkfA:
undetectable
4a97H-5tkfA:
19.22
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.
5u4r VRC 315 53-1A09 FAB
HEAVY CHAIN


(Homo sapiens)
no annotation 4 TYR A  32
HIS A  33
VAL A  78
PHE A  27
None
0.97A 4a97H-5u4rA:
undetectable
4a97H-5u4rA:
20.13
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.
5v9x ATP-DEPENDENT DNA
HELICASE


(Mycolicibacterium
smegmatis)
no annotation 4 GLU A 558
GLU A 554
HIS A 689
VAL A 817
None
1.11A 4a97H-5v9xA:
undetectable
4a97H-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.
5w21 FIBROBLAST GROWTH
FACTOR 23


(Homo sapiens)
no annotation 4 ILE B  75
TYR B 127
HIS B 128
PHE B 157
None
1.06A 4a97H-5w21B:
undetectable
4a97H-5w21B:
12.90
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.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism)
no annotation 4 GLU A 410
HIS A  61
VAL A  29
PHE A 415
GOL  A 501 ( 2.7A)
None
None
GOL  A 506 (-3.7A)
0.98A 4a97H-5xgzA:
undetectable
4a97H-5xgzA:
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.
5xhw PUTATIVE
6-DEOXY-D-MANNOHEPTO
SE PATHWAY PROTEIN


(Yersinia
pseudotuberculosis)
no annotation 4 ILE A 154
GLU A 188
TYR A 170
PHE A 187
None
SO4  A 303 ( 4.7A)
None
None
1.09A 4a97H-5xhwA:
undetectable
4a97H-5xhwA:
12.34
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.
5xl2 HEMAGGLUTININ

(Influenza A
virus)
PF00509
(Hemagglutinin)
4 ILE A 176
HIS A 181
VAL A 220
PHE A 144
None
1.06A 4a97H-5xl2A:
undetectable
4a97H-5xl2A:
22.59
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.
5xl6 HEMAGGLUTININ

(Influenza A
virus)
PF00509
(Hemagglutinin)
4 ILE A 176
HIS A 181
VAL A 220
PHE A 144
None
1.04A 4a97H-5xl6A:
undetectable
4a97H-5xl6A:
22.95
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.
5y9q CARBON CATABOLITE
RESPONSIVE REGULATOR


(Staphylococcus
aureus)
PF03466
(LysR_substrate)
4 ILE A  99
GLU A  91
TYR A 114
VAL A  84
None
1.09A 4a97H-5y9qA:
undetectable
4a97H-5y9qA:
22.83
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.
5z7h LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR


(Staphylococcus
aureus)
no annotation 4 ILE A 189
GLU A 181
TYR A 204
VAL A 174
None
1.00A 4a97H-5z7hA:
undetectable
4a97H-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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae)
no annotation 4 GLU A 400
GLU A 448
TYR A 522
VAL A 694
None
1.04A 4a97H-6arxA:
undetectable
4a97H-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
0.64A 4a97H-6bpcA:
1.5
4a97H-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 4a97H-6d04E:
undetectable
4a97H-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.
6d6v TELOMERASE-ASSOCIATE
D PROTEIN 82


(Tetrahymena
thermophila)
no annotation 4 GLU D 632
ILE D 631
HIS D 584
VAL D 562
None
1.11A 4a97H-6d6vD:
undetectable
4a97H-6d6vD:
13.49
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE


(Rhodothermus
marinus)
no annotation 4 ILE B  91
TYR B  99
HIS B 538
VAL B 481
None
1.05A 4a97H-6f0kB:
undetectable
4a97H-6f0kB:
14.84
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.
6g3u -

(-)
no annotation 4 GLU A 615
ILE A 619
GLU A 616
VAL A 410
None
1.08A 4a97H-6g3uA:
undetectable
4a97H-6g3uA:
undetectable