SIMILAR PATTERNS OF AMINO ACIDS FOR 3KPD_B_SAMB1000_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.
1cmx PROTEIN (UBIQUITIN
YUH1-UBAL)


(Saccharomyces
cerevisiae)
PF01088
(Peptidase_C12)
3 ASN A 225
ASN A  62
GLU A 221
None
0.94A 3kpdC-1cmxA:
0.0
3kpdC-1cmxA:
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.
1fh0 CATHEPSIN V

(Homo sapiens)
PF00112
(Peptidase_C1)
3 ASN A 187
ASN A  18
GLU A 192
None
0.75A 3kpdC-1fh0A:
0.0
3kpdC-1fh0A:
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.
1gff BACTERIOPHAGE G4
CAPSID PROTEINS GPF,
GPG, GPJ
BACTERIOPHAGE G4
CAPSID PROTEINS GPF,
GPG, GPJ


(Escherichia
virus G4;
Escherichia
virus G4)
PF02305
(Phage_F)
PF02306
(Phage_G)
3 ASN 2  69
ASN 1 388
GLU 1 154
None
0.93A 3kpdC-1gff2:
0.0
3kpdC-1gff2:
22.91
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.
1l8k T-CELL
PROTEIN-TYROSINE
PHOSPHATASE


(Homo sapiens)
PF00102
(Y_phosphatase)
3 ASN A 243
ASN A 250
GLU A  78
None
0.90A 3kpdC-1l8kA:
0.0
3kpdC-1l8kA:
17.10
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.
1mqs SLY1 PROTEIN

(Saccharomyces
cerevisiae)
PF00995
(Sec1)
3 ASN A 324
ASN A 293
GLU A 167
None
0.84A 3kpdC-1mqsA:
0.0
3kpdC-1mqsA:
11.99
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.
1pg6 HYPOTHETICAL PROTEIN
SPYM3_0169


(Streptococcus
pyogenes)
PF01987
(AIM24)
3 ASN A 173
ASN A 219
GLU A 201
None
0.88A 3kpdC-1pg6A:
0.0
3kpdC-1pg6A:
19.46
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.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE


(Saccharomyces
cerevisiae)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
3 ASN A 157
ASN A  95
GLU A 153
None
0.68A 3kpdC-1pxtA:
0.0
3kpdC-1pxtA:
14.25
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.
1q5a EP-CADHERIN

(Mus musculus)
PF00028
(Cadherin)
3 ASN A 102
ASN A  12
GLU A  69
CA  A 905 (-3.5A)
CA  A 907 (-3.3A)
CA  A 906 ( 2.4A)
0.80A 3kpdC-1q5aA:
undetectable
3kpdC-1q5aA:
10.01
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE


(Thermotoga
maritima)
PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C)
3 ASN A 167
ASN A 239
GLU A 333
None
0.91A 3kpdC-1up4A:
undetectable
3kpdC-1up4A:
16.34
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.
1us2 ENDO-BETA-1,4-XYLANA
SE


(Cellvibrio
japonicus)
PF00331
(Glyco_hydro_10)
PF03426
(CBM_15)
3 ASN A 440
ASN A 435
GLU A 437
None
0.92A 3kpdC-1us2A:
undetectable
3kpdC-1us2A:
14.48
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.
1v9l GLUTAMATE
DEHYDROGENASE


(Pyrobaculum
islandicum)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
3 ASN A 253
ASN A 277
GLU A 250
None
0.79A 3kpdC-1v9lA:
undetectable
3kpdC-1v9lA:
15.07
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.
1xyz 1,4-BETA-D-XYLAN-XYL
ANOHYDROLASE


(Ruminiclostridium
thermocellum)
PF00331
(Glyco_hydro_10)
3 ASN A 813
ASN A 726
GLU A 763
None
0.93A 3kpdC-1xyzA:
undetectable
3kpdC-1xyzA:
15.85
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.
1ybi NON-TOXIN
HAEMAGGLUTININ HA34


(Clostridium
botulinum)
PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2)
3 ASN A 195
ASN A 151
GLU A 143
None
0.76A 3kpdC-1ybiA:
undetectable
3kpdC-1ybiA:
17.67
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens)
PF13088
(BNR_2)
3 ASN A 514
ASN A 516
GLU A 511
None
0.91A 3kpdC-2bf6A:
undetectable
3kpdC-2bf6A:
13.74
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.
2c3d 2-OXOPROPYL-COM
REDUCTASE


(Xanthobacter
autotrophicus)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
3 ASN A  35
ASN A   5
GLU A  38
None
0.94A 3kpdC-2c3dA:
undetectable
3kpdC-2c3dA:
13.13
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.
2cvt RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE CHAIN 1


(Saccharomyces
cerevisiae)
PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone)
3 ASN A 599
ASN A 499
GLU A 433
None
0.84A 3kpdC-2cvtA:
undetectable
3kpdC-2cvtA:
10.37
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.
2fi0 CONSERVED DOMAIN
PROTEIN


(Streptococcus
pneumoniae)
PF08984
(DUF1858)
3 ASN A  73
ASN A   7
GLU A  24
None
0.88A 3kpdC-2fi0A:
undetectable
3kpdC-2fi0A:
23.20
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.
2ho4 HALOACID
DEHALOGENASE-LIKE
HYDROLASE DOMAIN
CONTAINING 2


(Mus musculus)
PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6)
3 ASN A  47
ASN A  15
GLU A  51
None
MG  A 260 (-4.1A)
PO4  A 404 (-3.7A)
0.85A 3kpdC-2ho4A:
undetectable
3kpdC-2ho4A:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens)
PF00194
(Carb_anhydrase)
3 ASN A  24
ASN A  26
GLU A 205
None
0.92A 3kpdC-2it4A:
undetectable
3kpdC-2it4A:
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.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY


(Enterococcus
faecalis)
PF04198
(Sugar-bind)
3 ASN A 197
ASN A 202
GLU A 165
None
0.74A 3kpdC-2o0mA:
undetectable
3kpdC-2o0mA:
16.23
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.
2o3b NUCLEASE

(Nostoc sp. PCC
7120)
PF01223
(Endonuclease_NS)
3 ASN A 157
ASN A 155
GLU A 163
None
MG  A 303 (-2.8A)
MG  A 303 ( 3.9A)
0.94A 3kpdC-2o3bA:
undetectable
3kpdC-2o3bA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pg8 DPGC

(Streptomyces
toyocaensis)
PF00378
(ECH_1)
3 ASN A 391
ASN A 396
GLU A 282
None
0.90A 3kpdC-2pg8A:
undetectable
3kpdC-2pg8A:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2plc PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C


(Listeria
monocytogenes)
PF00388
(PI-PLC-X)
3 ASN A 287
ASN A 255
GLU A 281
None
0.87A 3kpdC-2plcA:
undetectable
3kpdC-2plcA:
20.68
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.
2r0s CHROMATIN
STRUCTURE-REMODELING
COMPLEX PROTEIN RSC4


(Saccharomyces
cerevisiae)
PF00439
(Bromodomain)
3 ASN A  43
ASN A 286
GLU A  47
None
0.87A 3kpdC-2r0sA:
undetectable
3kpdC-2r0sA:
17.51
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae)
PF13088
(BNR_2)
3 ASN A 623
ASN A 625
GLU A 620
None
0.92A 3kpdC-2w20A:
undetectable
3kpdC-2w20A:
14.74
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT


(Homo sapiens)
PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
3 ASN A 595
ASN A 495
GLU A 434
None
0.85A 3kpdC-2wghA:
undetectable
3kpdC-2wghA:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1


(Homo sapiens)
PF01026
(TatD_DNase)
3 ASN A  53
ASN A  87
GLU A  95
None
0.71A 3kpdC-2xioA:
undetectable
3kpdC-2xioA:
14.53
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM


(Homo sapiens)
PF00343
(Phosphorylase)
3 ASN A 440
ASN A 407
GLU A 433
None
0.69A 3kpdC-3cemA:
undetectable
3kpdC-3cemA:
9.48
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.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Bordetella
bronchiseptica)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 ASN A 155
ASN A 188
GLU A 160
None
0.85A 3kpdC-3ddmA:
undetectable
3kpdC-3ddmA:
13.07
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.
3er6 PUTATIVE
TRANSCRIPTIONAL
REGULATOR PROTEIN


(Vibrio
parahaemolyticus)
PF01965
(DJ-1_PfpI)
3 ASN A  76
ASN A 162
GLU A 182
None
0.78A 3kpdC-3er6A:
undetectable
3kpdC-3er6A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6a HYDROLASE, NUDIX
FAMILY


(Clostridium
perfringens)
PF00293
(NUDIX)
3 ASN A  81
ASN A  61
GLU A  42
None
0.91A 3kpdC-3f6aA:
undetectable
3kpdC-3f6aA:
23.38
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.
3fn9 PUTATIVE
BETA-GALACTOSIDASE


(Bacteroides
fragilis)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
3 ASN A 451
ASN A 418
GLU A 503
None
0.91A 3kpdC-3fn9A:
undetectable
3kpdC-3fn9A:
10.31
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.
3ftb HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Clostridium
acetobutylicum)
PF00155
(Aminotran_1_2)
3 ASN A  47
ASN A  54
GLU A 252
None
0.89A 3kpdC-3ftbA:
undetectable
3kpdC-3ftbA:
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.
3hvd PROTECTIVE ANTIGEN

(Bacillus
anthracis)
PF03495
(Binary_toxB)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3)
3 ASN A 368
ASN A 328
GLU A 502
None
0.89A 3kpdC-3hvdA:
undetectable
3kpdC-3hvdA:
13.28
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA


(Moorella
thermoacetica;
Moorella
thermoacetica)
PF03063
(Prismane)
PF03598
(CdhC)
3 ASN A 202
ASN A 229
GLU M  37
None
0.80A 3kpdC-3i04A:
undetectable
3kpdC-3i04A:
11.27
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.
3ide CAPSID PROTEIN VP2

(Infectious
pancreatic
necrosis virus)
PF01766
(Birna_VP2)
3 ASN A 153
ASN A 139
GLU A 356
None
0.69A 3kpdC-3ideA:
undetectable
3kpdC-3ideA:
13.33
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.
3iv3 TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2


(Streptococcus
mutans)
PF01791
(DeoC)
3 ASN A 211
ASN A 174
GLU A 207
EDO  A 334 (-3.5A)
EDO  A 334 (-3.7A)
EDO  A 334 ( 4.9A)
0.93A 3kpdC-3iv3A:
undetectable
3kpdC-3iv3A:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j26 CAPSID PROTEIN V20

(Mimivirus-dependent
virus Sputnik)
no annotation 3 ASN A 438
ASN A 362
GLU A 431
None
0.87A 3kpdC-3j26A:
undetectable
3kpdC-3j26A:
12.01
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.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE


(Staphylococcus
aureus)
PF01791
(DeoC)
3 ASN A 211
ASN A 174
GLU A 207
None
0.94A 3kpdC-3kaoA:
undetectable
3kpdC-3kaoA:
16.27
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.
3mpi GLUTARYL-COA
DEHYDROGENASE


(Desulfococcus
multivorans)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
3 ASN A  91
ASN A 162
GLU A  93
GRA  A 402 (-3.8A)
None
None
0.94A 3kpdC-3mpiA:
undetectable
3kpdC-3mpiA:
15.18
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.
3nvx PROTEIN A39

(Vaccinia virus)
PF01403
(Sema)
3 ASN A  59
ASN A 107
GLU A  23
None
0.92A 3kpdC-3nvxA:
undetectable
3kpdC-3nvxA:
16.27
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei)
PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5)
3 ASN A 234
ASN A 199
GLU A 298
None
GAL  A1024 (-3.1A)
GAL  A1024 (-2.7A)
0.89A 3kpdC-3ogrA:
undetectable
3kpdC-3ogrA:
8.21
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.
3s6p CAPSID PROTEIN

(Helicoverpa
armigera stunt
virus)
PF03566
(Peptidase_A21)
3 ASN A 484
ASN A 191
GLU A 428
None
0.82A 3kpdC-3s6pA:
undetectable
3kpdC-3s6pA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3td7 FAD-LINKED
SULFHYDRYL OXIDASE
R596


(Acanthamoeba
polyphaga
mimivirus)
PF04777
(Evr1_Alr)
3 ASN A 279
ASN A 185
GLU A 285
None
0.76A 3kpdC-3td7A:
undetectable
3kpdC-3td7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis)
PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3)
3 ASN A 368
ASN A 328
GLU A 502
None
0.89A 3kpdC-3texA:
undetectable
3kpdC-3texA:
10.27
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE


(Arabidopsis
thaliana;
Vitis vinifera)
PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C)
3 ASN A 122
ASN A  82
GLU A 125
None
0.73A 3kpdC-3tsyA:
undetectable
3kpdC-3tsyA:
9.35
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2


(Thermus
thermophilus)
PF00586
(AIRS)
PF02769
(AIRS_C)
3 ASN A 403
ASN A 450
GLU A 656
None
0.86A 3kpdC-3viuA:
undetectable
3kpdC-3viuA:
11.03
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)


(Bacteroides
ovatus)
PF00150
(Cellulase)
PF13004
(BACON)
3 ASN A 162
ASN A 165
GLU A 478
None
BGC  A1520 (-3.2A)
None
0.82A 3kpdC-3zmrA:
undetectable
3kpdC-3zmrA:
13.36
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)


(Bacteroides
ovatus)
PF00150
(Cellulase)
PF13004
(BACON)
3 ASN A 345
ASN A 296
GLU A 369
EDO  A1516 (-4.6A)
BGC  A1518 (-2.8A)
None
0.82A 3kpdC-3zmrA:
undetectable
3kpdC-3zmrA:
13.36
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.
3zuy TRANSPORTER

(Neisseria
meningitidis)
PF01758
(SBF)
3 ASN A 124
ASN A 115
GLU A 260
None
NA  A1310 (-3.3A)
NA  A1310 ( 2.6A)
0.93A 3kpdC-3zuyA:
undetectable
3kpdC-3zuyA:
17.03
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.
4a01 PROTON
PYROPHOSPHATASE


(Vigna radiata)
PF03030
(H_PPase)
3 ASN A 534
ASN A 428
GLU A 358
MG  A1771 (-2.5A)
None
None
0.94A 3kpdC-4a01A:
undetectable
3kpdC-4a01A:
10.65
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.
4dp0 PLASTOCYANIN B,
CHLOROPLASTIC


(Populus nigra)
PF00127
(Copper-bind)
3 ASN X  38
ASN X  64
GLU X  68
None
0.92A 3kpdC-4dp0X:
undetectable
3kpdC-4dp0X:
24.80
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.
4dza LYSINE RACEMASE

(Proteus
mirabilis)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
3 ASN A 133
ASN A 102
GLU A 138
None
0.94A 3kpdC-4dzaA:
undetectable
3kpdC-4dzaA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f9z ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 27


(Homo sapiens)
no annotation 3 ASN D 205
ASN D 169
GLU D 216
None
0.88A 3kpdC-4f9zD:
undetectable
3kpdC-4f9zD:
22.55
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.
4gl0 LMO0810 PROTEIN

(Listeria
monocytogenes)
PF13416
(SBP_bac_8)
3 ASN A 283
ASN A 290
GLU A  57
None
0.93A 3kpdC-4gl0A:
undetectable
3kpdC-4gl0A:
16.77
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.
4gn1 RAS-ASSOCIATED AND
PLECKSTRIN HOMOLOGY
DOMAINS-CONTAINING
PROTEIN 1


(Homo sapiens)
PF00169
(PH)
PF00788
(RA)
3 ASN A 339
ASN A 449
GLU A 331
MLI  A 601 (-3.7A)
MLI  A 601 (-4.0A)
None
0.85A 3kpdC-4gn1A:
undetectable
3kpdC-4gn1A:
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.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP


(Plasmodium
falciparum)
PF00092
(VWA)
3 ASN A 152
ASN A 154
GLU A 239
None
0.86A 3kpdC-4hqfA:
undetectable
3kpdC-4hqfA:
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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica)
PF00291
(PALP)
3 ASN A 165
ASN A 158
GLU A  83
None
0.84A 3kpdC-4il5A:
undetectable
3kpdC-4il5A:
18.07
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.
4inz SOLUBLE EPOXIDE
HYDROLASE


(Bacillus
megaterium)
PF00561
(Abhydrolase_1)
3 ASN A   9
ASN A   7
GLU A  62
None
0.90A 3kpdC-4inzA:
undetectable
3kpdC-4inzA:
18.52
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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
3 ASN A 445
ASN A 412
GLU A 504
None
0.85A 3kpdC-4jhzA:
undetectable
3kpdC-4jhzA:
16.80
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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
3 ASN A 441
ASN A 407
GLU A 501
None
0.86A 3kpdC-4jklA:
undetectable
3kpdC-4jklA:
12.13
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.
4m7s BTRN

(Bacillus
circulans)
PF13186
(SPASM)
3 ASN A 234
ASN A 236
GLU A 189
None
0.85A 3kpdC-4m7sA:
undetectable
3kpdC-4m7sA:
23.63
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.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis)
PF00561
(Abhydrolase_1)
3 ASN A 283
ASN A 170
GLU A 133
None
0.85A 3kpdC-4meaA:
undetectable
3kpdC-4meaA:
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.
4nfy D-3-PHOSPHOGLYCERATE
DEHYDROGENASE,
PUTATIVE


(Entamoeba
histolytica)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
3 ASN A 102
ASN A 272
GLU A 267
None
0.93A 3kpdC-4nfyA:
undetectable
3kpdC-4nfyA:
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT


(Rhodopseudomonas
palustris)
PF03480
(DctP)
3 ASN A 268
ASN A 275
GLU A  54
None
0.88A 3kpdC-4oanA:
undetectable
3kpdC-4oanA:
16.82
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.
4ozq CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND KINESIN FAMILY
MEMBER 14 PROTEIN


(Escherichia
coli;
Mus musculus)
PF00225
(Kinesin)
PF13416
(SBP_bac_8)
3 ASN A-220
ASN A-143
GLU A-156
None
0.94A 3kpdC-4ozqA:
undetectable
3kpdC-4ozqA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3m MGS-M4

(unidentified)
PF00248
(Aldo_ket_red)
3 ASN A 137
ASN A 139
GLU A 268
None
0.84A 3kpdC-4q3mA:
undetectable
3kpdC-4q3mA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qci ANTI-PDGF-BB
ANTIBODY - LIGHT
CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
3 ASN A 167
ASN A 136
GLU A 165
None
0.92A 3kpdC-4qciA:
undetectable
3kpdC-4qciA:
18.54
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.
4x9n L-ALPHA-GLYCEROPHOSP
HATE OXIDASE


(Mycoplasma
pneumoniae)
PF01266
(DAO)
3 ASN A 179
ASN A 194
GLU A 176
None
0.84A 3kpdC-4x9nA:
undetectable
3kpdC-4x9nA:
19.24
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.
4xjx HSDR

(Escherichia
coli)
PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C)
3 ASN A 157
ASN A  63
GLU A  66
None
0.88A 3kpdC-4xjxA:
undetectable
3kpdC-4xjxA:
9.20
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.
4ye4 HT593.1 GP120

(Human
immunodeficiency
virus)
PF00516
(GP120)
3 ASN G 465
ASN G 461
GLU G 468
None
0.65A 3kpdC-4ye4G:
undetectable
3kpdC-4ye4G:
16.38
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.
5bov PUTATIVE EPOXIDE
HYDROLASE PROTEIN


(Klebsiella
pneumoniae)
PF00561
(Abhydrolase_1)
3 ASN A 250
ASN A 116
GLU A 258
None
0.92A 3kpdC-5bovA:
undetectable
3kpdC-5bovA:
16.72
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.
5bsw 4-COUMARATE--COA
LIGASE 2


(Nicotiana
tabacum)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
3 ASN A  86
ASN A  46
GLU A  89
None
0.86A 3kpdC-5bswA:
undetectable
3kpdC-5bswA:
14.29
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.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2


(Rickettsia
typhi)
PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31)
3 ASN A 160
ASN A 151
GLU A 223
None
0.74A 3kpdC-5dooA:
undetectable
3kpdC-5dooA:
14.45
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1


(Rickettsia
prowazekii)
PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31)
3 ASN A 372
ASN A 398
GLU A 479
None
0.84A 3kpdC-5dpdA:
undetectable
3kpdC-5dpdA:
13.31
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.
5eod COAGULATION FACTOR
XI


(Homo sapiens)
PF00024
(PAN_1)
PF00089
(Trypsin)
3 ASN A 473
ASN A 405
GLU A 361
None
0.91A 3kpdC-5eodA:
undetectable
3kpdC-5eodA:
14.34
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.
5fyj GP120 ENV ECTODOMAIN

(Human
immunodeficiency
virus 1)
PF00516
(GP120)
3 ASN G 442
ASN G 302
GLU G 381
NAG  G4421 (-1.8A)
None
None
0.92A 3kpdC-5fyjG:
undetectable
3kpdC-5fyjG:
15.28
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.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR


(Arabidopsis
thaliana)
PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8)
3 ASN B 139
ASN B 164
GLU B 118
None
0.86A 3kpdC-5gqrB:
undetectable
3kpdC-5gqrB:
10.05
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.
5grh ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT GAMMA,
MITOCHONDRIAL


(Homo sapiens)
PF00180
(Iso_dh)
3 ASN B 130
ASN B 239
GLU B 134
None
0.93A 3kpdC-5grhB:
undetectable
3kpdC-5grhB:
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.
5gx8 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1


(Streptobacillus
moniliformis)
PF13416
(SBP_bac_8)
3 ASN A 275
ASN A 193
GLU A 198
None
CA  A 601 (-3.1A)
CA  A 601 (-2.2A)
0.88A 3kpdC-5gx8A:
undetectable
3kpdC-5gx8A:
14.04
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.
5kvu ISOCITRATE
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF03971
(IDH)
3 ASN A 393
ASN A 398
GLU A 533
None
None
EDO  A 803 (-4.0A)
0.84A 3kpdC-5kvuA:
undetectable
3kpdC-5kvuA:
10.77
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.
5nd1 CAPSID PROTEIN
CAPSID PROTEIN


(Rosellinia
necatrix
quadrivirus 1;
Rosellinia
necatrix
quadrivirus 1)
no annotation
no annotation
3 ASN A 939
ASN A 937
GLU B 916
None
0.88A 3kpdC-5nd1A:
undetectable
3kpdC-5nd1A:
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.
5tpc BOTULINUM NEUROTOXIN
TYPE A


(Clostridium
botulinum)
PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N)
3 ASN A 935
ASN A1051
GLU A 969
None
0.75A 3kpdC-5tpcA:
undetectable
3kpdC-5tpcA:
14.52
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.
5uiv BIFUNCTIONAL
THYMIDYLATE/URIDYLAT
E KINASE


(Candida
albicans)
PF02223
(Thymidylate_kin)
3 ASN A  53
ASN A  48
GLU A 159
None
None
TMP  A 301 ( 4.5A)
0.69A 3kpdC-5uivA:
undetectable
3kpdC-5uivA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w6t HEMAGGLUTININ

(Influenza A
virus)
PF00509
(Hemagglutinin)
3 ASN A 129
ASN A 131
GLU A 156
None
0.85A 3kpdC-5w6tA:
undetectable
3kpdC-5w6tA:
15.53
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.
5wk1 MAJOR CAPSID PROTEIN

(Pseudoalteromonas
phage TW1)
no annotation 3 ASN A 264
ASN A 262
GLU A 219
None
0.81A 3kpdC-5wk1A:
undetectable
3kpdC-5wk1A:
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.
5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6


(Rattus
norvegicus)
PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4)
3 ASN A  57
ASN A  91
GLU A  93
ASN  A  57 ( 0.6A)
ASN  A  91 ( 0.6A)
GLU  A  93 ( 0.6A)
0.88A 3kpdC-5wo6A:
undetectable
3kpdC-5wo6A:
9.13
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.
5wvm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TWO-COMPONEN
T SYSTEM SENSOR
KINASE


(Escherichia
coli;
Serratia
marcescens)
no annotation 3 ASN A 152
ASN A 229
GLU A 216
None
0.89A 3kpdC-5wvmA:
undetectable
3kpdC-5wvmA:
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS


(Neisseria
gonorrhoeae)
no annotation 3 ASN A 420
ASN A 417
GLU A 518
None
0.93A 3kpdC-5x9wA:
undetectable
3kpdC-5x9wA:
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.
5xeo CYSTEINE SYNTHASE

(Fusobacterium
nucleatum)
no annotation 3 ASN A 148
ASN A 141
GLU A  67
PLP  A 401 ( 4.8A)
ACT  A 403 (-3.9A)
None
0.79A 3kpdC-5xeoA:
undetectable
3kpdC-5xeoA:
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.
5xnl OXYGEN-EVOLVING
ENHANCER PROTEIN 1,
CHLOROPLASTIC


(Pisum sativum)
PF01716
(MSP)
3 ASN O 170
ASN O 190
GLU O 183
None
0.78A 3kpdC-5xnlO:
undetectable
3kpdC-5xnlO:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A


(Leptotrichia
buccalis)
no annotation 3 ASN A 250
ASN A 252
GLU A 256
None
0.93A 3kpdC-5xwyA:
undetectable
3kpdC-5xwyA:
7.38
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.
5y3x BETA-XYLANASE

(Caldicellulosiruptor
owensensis)
no annotation 3 ASN A  92
ASN A 153
GLU A  96
None
0.71A 3kpdC-5y3xA:
undetectable
3kpdC-5y3xA:
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.
5yq7 PRECURSOR FOR L
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER


(Roseiflexus
castenholzii)
no annotation 3 ASN L 240
ASN L 245
GLU L 236
None
0.89A 3kpdC-5yq7L:
undetectable
3kpdC-5yq7L:
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.
6byw GOXA

(Pseudoalteromonas
luteoviolacea)
no annotation 3 ASN B 419
ASN B 426
GLU B 549
None
0.90A 3kpdC-6bywB:
undetectable
3kpdC-6bywB:
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans)
no annotation 3 ASN A 137
ASN A 163
GLU A 190
None
0.90A 3kpdC-6cw5A:
undetectable
3kpdC-6cw5A:
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.
6dft -

(-)
no annotation 3 ASN B 294
ASN B 301
GLU B 290
None
NA  A 501 ( 4.8A)
None
0.70A 3kpdC-6dftB:
undetectable
3kpdC-6dftB:
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.
6dm8 -

(-)
no annotation 3 ASN A -65
ASN A  12
GLU A  -1
None
0.93A 3kpdC-6dm8A:
undetectable
3kpdC-6dm8A:
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1


(Cyanidioschyzon
merolae)
no annotation 3 ASN A 311
ASN A 189
GLU A 191
None
0.93A 3kpdC-6fosA:
undetectable
3kpdC-6fosA:
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.
6g3u -

(-)
no annotation 3 ASN A 391
ASN A 396
GLU A 530
None
0.83A 3kpdC-6g3uA:
undetectable
3kpdC-6g3uA:
undetectable