SIMILAR PATTERNS OF AMINO ACIDS FOR 4K17_B_OHBB701_0

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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)


(Lactobacillus
sp. 30A)
PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C)
4 GLU A 671
ARG A 220
PRO A 622
SER A 674
None
1.48A 4k17B-1c4kA:
0.1
4k17B-1c4kA:
21.13
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.
1d6h CHALCONE SYNTHASE

(Medicago sativa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
4 GLU A 238
ARG A 385
PRO A  16
SER A 226
None
1.40A 4k17B-1d6hA:
undetectable
4k17B-1d6hA:
21.68
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT


(Desulfovibrio
desulfuricans)
PF00374
(NiFeSe_Hases)
4 GLU B 298
ARG B  84
PRO B 293
SER B 303
None
1.20A 4k17B-1e3dB:
undetectable
4k17B-1e3dB:
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.
1e5w MOESIN

(Homo sapiens)
PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C)
4 GLU A  92
SER A  90
ARG A 294
PRO A  86
None
1.14A 4k17B-1e5wA:
9.5
4k17B-1e5wA:
19.61
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.
1gkp HYDANTOINASE

(Thermus sp.)
PF01979
(Amidohydro_1)
4 GLU A 185
ARG A 212
PRO A 289
SER A 241
None
1.29A 4k17B-1gkpA:
undetectable
4k17B-1gkpA:
20.77
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini)
PF02274
(Amidinotransf)
4 GLU A 183
ARG A 180
PRO A 162
SER A 187
None
CIR  A 500 (-4.0A)
None
None
1.19A 4k17B-1lxyA:
undetectable
4k17B-1lxyA:
20.52
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN


(Homo sapiens)
PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2)
4 GLU A 147
SER A 148
PRO A 198
SER A 197
None
GOL  A 558 (-3.1A)
None
None
1.20A 4k17B-1nowA:
0.0
4k17B-1nowA:
20.18
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.
1nt4 GLUCOSE-1-PHOSPHATAS
E


(Escherichia
coli)
PF00328
(His_Phos_2)
4 GLU A  32
SER A  34
PRO A 172
SER A 171
None
1.21A 4k17B-1nt4A:
undetectable
4k17B-1nt4A:
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.
1qni NITROUS-OXIDE
REDUCTASE


(Marinobacter
hydrocarbonoclasticus)
no annotation 4 GLU A 316
ARG A 310
PRO A 266
SER A 288
None
1.34A 4k17B-1qniA:
0.0
4k17B-1qniA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qz4 HYPOTHETICAL PROTEIN
YCFC


(Escherichia
coli)
PF04356
(DUF489)
4 SER A  50
ARG A 176
PRO A  48
SER A  49
None
1.33A 4k17B-1qz4A:
undetectable
4k17B-1qz4A:
17.66
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.
1t06 HYPOTHETICAL PROTEIN

(Bacillus cereus)
PF08713
(DNA_alkylation)
4 GLU A 105
SER A 106
ARG A 234
PRO A  74
None
1.45A 4k17B-1t06A:
undetectable
4k17B-1t06A:
16.22
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.
1umb 2-OXO ACID
DEHYDROGENASE BETA
SUBUNIT


(Thermus
thermophilus)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 GLU B 172
ARG B 116
PRO B 118
SER B 119
None
1.31A 4k17B-1umbB:
2.2
4k17B-1umbB:
19.97
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.
1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE


(Pyrococcus
furiosus)
PF02581
(TMP-TENI)
4 GLU A 112
SER A 106
ARG A 139
PRO A  86
None
1.47A 4k17B-1xi3A:
undetectable
4k17B-1xi3A:
15.72
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.
1xkh FERRIPYOVERDINE
RECEPTOR


(Pseudomonas
aeruginosa)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 SER A 481
ARG A 227
PRO A 223
SER A 456
None
1.38A 4k17B-1xkhA:
undetectable
4k17B-1xkhA:
22.99
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.
2a9c SULFITE OXIDASE

(Gallus gallus)
PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer)
4 GLU A 241
ARG A 304
PRO A 251
SER A 315
None
1.26A 4k17B-2a9cA:
undetectable
4k17B-2a9cA:
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.
2bka TAT-INTERACTING
PROTEIN TIP30


(Homo sapiens)
PF13460
(NAD_binding_10)
4 GLU A 176
SER A 197
PRO A 202
SER A 200
None
1.45A 4k17B-2bkaA:
2.9
4k17B-2bkaA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dfs MYOSIN-5A

(Gallus gallus)
PF00063
(Myosin_head)
PF00612
(IQ)
4 GLU A 760
SER A  78
ARG A 710
PRO A  65
None
1.42A 4k17B-2dfsA:
undetectable
4k17B-2dfsA:
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.
2frv PERIPLASMIC
HYDROGENASE


(Desulfovibrio
gigas)
no annotation 4 GLU L 290
ARG L  78
PRO L 287
SER L 295
None
1.12A 4k17B-2frvL:
undetectable
4k17B-2frvL:
22.11
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri)
PF01979
(Amidohydro_1)
5 GLU A 201
SER A 258
ARG A 228
PRO A 332
SER A 257
None
1.41A 4k17B-2fvmA:
undetectable
4k17B-2fvmA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B


(Homo sapiens)
no annotation 4 GLU M 147
SER M 148
PRO M 198
SER M 197
None
1.25A 4k17B-2gk1M:
2.0
4k17B-2gk1M:
13.10
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.
2kjd SODIUM/HYDROGEN
EXCHANGE REGULATORY
COFACTOR NHE-RF1


(Homo sapiens)
PF00595
(PDZ)
PF09007
(EBP50_C)
4 GLU A  66
ARG A  56
PRO A 104
SER A 105
None
1.30A 4k17B-2kjdA:
undetectable
4k17B-2kjdA:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kw6 CYCLIN-DEPENDENT
KINASE 2-ASSOCIATED
PROTEIN 1


(Homo sapiens)
PF09806
(CDK2AP)
4 GLU A  76
SER A  86
PRO A  79
SER A  84
None
1.17A 4k17B-2kw6A:
undetectable
4k17B-2kw6A:
5.84
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.
2m0m MINOR AMPULLATE
FIBROIN 1


(Nephila
antipodiana)
PF11260
(Spidroin_MaSp)
4 GLU A  85
SER A  89
ARG A  36
SER A  88
None
1.42A 4k17B-2m0mA:
undetectable
4k17B-2m0mA:
11.45
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.
2ocx NODULATION
FUCOSYLTRANSFERASE
NODZ


(Bradyrhizobium
sp. WM9)
PF05830
(NodZ)
4 GLU A 141
SER A  21
ARG A 291
SER A  24
None
1.17A 4k17B-2ocxA:
undetectable
4k17B-2ocxA:
19.50
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.
2qmx PREPHENATE
DEHYDRATASE


(Chlorobaculum
tepidum)
PF00800
(PDT)
4 GLU A 122
SER A 101
ARG A 120
SER A 130
EDO  A 312 ( 4.1A)
None
None
None
1.45A 4k17B-2qmxA:
undetectable
4k17B-2qmxA:
18.20
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.
2rc5 FERREDOXIN-NADP
REDUCTASE


(Leptospira
interrogans)
PF00175
(NAD_binding_1)
4 GLU A 210
SER A 208
ARG A  41
PRO A 206
None
1.13A 4k17B-2rc5A:
undetectable
4k17B-2rc5A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vda TRANSLOCASE SUBUNIT
SECA


(Escherichia
coli)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD)
4 GLU A 806
SER A 807
ARG A 792
PRO A 301
None
1.00A 4k17B-2vdaA:
2.7
4k17B-2vdaA:
22.40
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.
2w59 IGY FCU3-4

(Gallus gallus)
PF07654
(C1-set)
4 GLU A 437
SER A 381
PRO A 378
SER A 379
None
1.35A 4k17B-2w59A:
undetectable
4k17B-2w59A:
17.44
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.
2weu TRYPTOPHAN
5-HALOGENASE


(Streptomyces
rugosporus)
PF04820
(Trp_halogenase)
4 GLU A 131
SER A 120
ARG A  79
SER A 118
None
1.41A 4k17B-2weuA:
undetectable
4k17B-2weuA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn3 PUTATIVE INNER
MEMBRANE PROTEIN


(Salmonella
enterica)
PF12245
(Big_3_2)
4 GLU A5102
SER A5143
PRO A5080
SER A5151
None
1.46A 4k17B-2yn3A:
undetectable
4k17B-2yn3A:
17.88
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus)
PF01979
(Amidohydro_1)
4 GLU A 176
ARG A 181
PRO A 280
SER A 235
None
1.43A 4k17B-2z00A:
undetectable
4k17B-2z00A:
23.44
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus)
PF01979
(Amidohydro_1)
4 GLU A 182
ARG A 205
PRO A 279
SER A 234
None
1.46A 4k17B-3d6nA:
undetectable
4k17B-3d6nA:
19.88
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.
3kar KINESIN-LIKE PROTEIN
KAR3


(Saccharomyces
cerevisiae)
PF00225
(Kinesin)
4 GLU A 401
SER A 403
ARG A 394
SER A 704
None
1.32A 4k17B-3karA:
undetectable
4k17B-3karA:
21.69
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.
3kxe TOXIN PROTEIN PARE-1
ANTITOXIN PROTEIN
PARD-1


(Caulobacter
vibrioides;
Caulobacter
vibrioides)
PF05016
(ParE_toxin)
PF03693
(ParD_antitoxin)
4 GLU C  59
SER A   7
ARG A  58
SER C  61
None
1.05A 4k17B-3kxeC:
undetectable
4k17B-3kxeC:
9.47
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.
3msx RHO
GTPASE-ACTIVATING
PROTEIN 20


(Homo sapiens)
PF00620
(RhoGAP)
4 GLU B 529
SER B 525
PRO B 520
SER B 524
None
1.21A 4k17B-3msxB:
undetectable
4k17B-3msxB:
14.18
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.
3o82 PEPTIDE ARYLATION
ENZYME


(Acinetobacter
baumannii)
PF00501
(AMP-binding)
4 SER A 366
ARG A  15
PRO A 393
SER A 365
None
1.25A 4k17B-3o82A:
undetectable
4k17B-3o82A:
21.52
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.
3o8j 2-METHYLCITRATE
SYNTHASE


(Salmonella
enterica)
PF00285
(Citrate_synt)
4 GLU A 163
SER A 142
PRO A 162
SER A 145
None
1.21A 4k17B-3o8jA:
undetectable
4k17B-3o8jA:
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.
3r18 SULFITE OXIDASE

(Gallus gallus)
PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer)
4 GLU A 241
SER A 313
ARG A 304
SER A 315
None
1.43A 4k17B-3r18A:
undetectable
4k17B-3r18A:
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG


(Cupriavidus
necator)
PF00374
(NiFeSe_Hases)
4 GLU L 197
ARG L 143
PRO L 196
SER L 135
None
1.44A 4k17B-3rgwL:
undetectable
4k17B-3rgwL:
23.60
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.
3sbq NITROUS-OXIDE
REDUCTASE


(Pseudomonas
stutzeri)
no annotation 4 GLU A 373
ARG A 367
PRO A 322
SER A 344
None
1.39A 4k17B-3sbqA:
undetectable
4k17B-3sbqA:
22.16
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri)
PF01979
(Amidohydro_1)
4 GLU A 185
ARG A 212
PRO A 289
SER A 241
None
1.39A 4k17B-3sfwA:
2.2
4k17B-3sfwA:
20.41
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.
3uki OXYR

(Porphyromonas
gingivalis)
PF03466
(LysR_substrate)
4 GLU A 233
SER A 252
ARG A 230
SER A 250
None
1.39A 4k17B-3ukiA:
undetectable
4k17B-3ukiA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ux9 INTERFERON
ALPHA-1/13


(Homo sapiens)
PF00143
(Interferon)
4 GLU A 142
ARG A 145
PRO A  26
SER A  27
None
1.44A 4k17B-3ux9A:
undetectable
4k17B-3ux9A:
13.47
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.
3vpj TSE1-SPECIFIC
IMMUNITY PROTEIN


(Pseudomonas
aeruginosa)
no annotation 4 GLU E 112
SER E 130
ARG E 126
SER E 110
None
1.40A 4k17B-3vpjE:
2.1
4k17B-3vpjE:
15.54
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.
3w5n PUTATIVE
RHAMNOSIDASE


(Streptomyces
avermitilis)
PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C)
4 GLU A 145
ARG A 157
PRO A 153
SER A 151
None
1.44A 4k17B-3w5nA:
undetectable
4k17B-3w5nA:
20.26
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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE


(Citrus x
microcarpa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
4 GLU A 233
SER A 231
ARG A 185
PRO A 228
None
1.45A 4k17B-3wd8A:
undetectable
4k17B-3wd8A:
21.03
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.
3zco REGULATORY PROTEIN
SIR3


(Saccharomyces
cerevisiae)
no annotation 4 GLU A 947
SER A 951
PRO A 948
SER A 949
None
1.34A 4k17B-3zcoA:
undetectable
4k17B-3zcoA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amg SNOGD

(Streptomyces
nogalater)
PF06722
(DUF1205)
4 GLU A 176
ARG A 161
PRO A 177
SER A 180
None
1.41A 4k17B-4amgA:
undetectable
4k17B-4amgA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN


(Homo sapiens)
PF00450
(Peptidase_S10)
4 GLU A  40
ARG A  20
PRO A  45
SER A  48
None
1.34A 4k17B-4az3A:
undetectable
4k17B-4az3A:
19.28
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.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila)
PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase)
4 GLU A 603
SER A 606
ARG A 317
PRO A 602
None
1.40A 4k17B-4bevA:
undetectable
4k17B-4bevA:
23.11
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans)
PF02274
(Amidinotransf)
4 GLU A 226
ARG A 223
PRO A 205
SER A 230
None
1.20A 4k17B-4e4jA:
undetectable
4k17B-4e4jA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgi TSI1

(Pseudomonas
aeruginosa)
no annotation 4 GLU B 112
SER B 110
ARG B 126
SER B 107
None
0.94A 4k17B-4fgiB:
2.3
4k17B-4fgiB:
13.43
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.
4g7x PUTATIVE
UNCHARACTERIZED
PROTEIN


(Vibrio cholerae)
PF16710
(CTXphi_pIII-N1)
4 GLU A  83
SER A  81
PRO A  22
SER A  21
None
1.43A 4k17B-4g7xA:
undetectable
4k17B-4g7xA:
9.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5


(Homo sapiens)
PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C)
4 GLU A 207
ARG A 154
PRO A 232
SER A 234
None
1.28A 4k17B-4gqbA:
1.1
4k17B-4gqbA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i0o PROTEIN ELYS

(Mus musculus)
PF16687
(ELYS-bb)
4 GLU A 274
ARG A 231
PRO A 376
SER A 379
None
0.96A 4k17B-4i0oA:
undetectable
4k17B-4i0oA:
23.62
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.
4i0o PROTEIN ELYS

(Mus musculus)
PF16687
(ELYS-bb)
4 GLU A 274
SER A 379
ARG A 231
PRO A 376
None
1.16A 4k17B-4i0oA:
undetectable
4k17B-4i0oA:
23.62
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.
4ij5 PHOSPHOSERINE
PHOSPHATASE 1


(Hydrogenobacter
thermophilus)
PF00300
(His_Phos_1)
4 GLU A  82
SER A  54
PRO A 153
SER A 149
None
1.48A 4k17B-4ij5A:
undetectable
4k17B-4ij5A:
14.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A


(Mus musculus)
PF13516
(LRR_6)
5 GLU A 380
SER A 384
ARG A 407
PRO A 413
SER A 415
None
0.37A 4k17B-4k17A:
45.5
4k17B-4k17A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9)
PF01979
(Amidohydro_1)
4 GLU A 185
ARG A 212
PRO A 289
SER A 241
GLU  A 185 ( 0.5A)
ARG  A 212 ( 0.6A)
PRO  A 289 ( 1.1A)
SER  A 241 ( 0.0A)
1.38A 4k17B-4kqnA:
undetectable
4k17B-4kqnA:
20.96
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6


(Homo sapiens)
PF00069
(Pkinase)
4 GLU A 571
SER A 576
ARG A 646
SER A 574
None
1.47A 4k17B-4ks8A:
undetectable
4k17B-4ks8A:
18.80
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.
4lx1 UNCONVENTIONAL
MYOSIN-VA


(Homo sapiens)
PF01843
(DIL)
4 GLU A1550
SER A1671
ARG A1496
SER A1668
None
1.36A 4k17B-4lx1A:
undetectable
4k17B-4lx1A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pba UNCHARACTERIZED
PROTEIN ABASI


(Acinetobacter
baumannii)
no annotation 4 GLU B  72
SER B  98
ARG B 122
PRO B  95
None
1.46A 4k17B-4pbaB:
undetectable
4k17B-4pbaB:
18.68
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.
4pbq PUTATIVE TRAP
PERIPLASMIC SOLUTE
BINDING PROTEIN


(Haemophilus
influenzae)
PF03480
(DctP)
4 GLU A 207
ARG A 148
PRO A 170
SER A 188
None
2UF  A 401 (-2.9A)
2UF  A 401 (-4.3A)
None
1.38A 4k17B-4pbqA:
undetectable
4k17B-4pbqA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q5f GLUTATHIONE
S-TRANSFERASE 1


(Ascaris suum)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 GLU A  16
SER A 163
ARG A  19
SER A 166
None
1.28A 4k17B-4q5fA:
undetectable
4k17B-4q5fA:
15.79
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.
4qdn FLAGELLAR PROTEIN
FLGJ [PEPTIDOGLYCAN
HYDROLASE]


(Thermotoga
maritima)
PF01832
(Glucosaminidase)
4 GLU A  82
ARG A   8
PRO A  81
SER A  84
None
1.32A 4k17B-4qdnA:
undetectable
4k17B-4qdnA:
10.33
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.
4rap GLYCOSYLTRANSFERASE
TIBC


(Escherichia
coli)
PF01075
(Glyco_transf_9)
4 GLU A 326
SER A 304
ARG A 332
SER A 301
None
1.45A 4k17B-4rapA:
undetectable
4k17B-4rapA:
20.27
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.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1


(Streptomyces
avermitilis)
PF00698
(Acyl_transf_1)
4 GLU A 284
ARG A 288
PRO A 191
SER A 193
None
1.46A 4k17B-4rl1A:
undetectable
4k17B-4rl1A:
19.73
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.
4tqt D-HYDANTOINASE

(Brucella suis)
PF01979
(Amidohydro_1)
4 GLU A 186
ARG A 213
PRO A 291
SER A 242
None
1.25A 4k17B-4tqtA:
undetectable
4k17B-4tqtA:
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT


(Desulfovibrio
vulgaris)
PF00374
(NiFeSe_Hases)
4 GLU L 306
ARG L  94
PRO L 303
SER L 311
None
1.23A 4k17B-4u9iL:
undetectable
4k17B-4u9iL:
22.85
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.
4yzt CELLULOSE HYDROLASE

(Bacillus
licheniformis)
PF00150
(Cellulase)
PF03442
(CBM_X2)
4 GLU A  44
SER A  46
ARG A  93
PRO A  51
None
EDO  A 802 ( 4.7A)
None
None
1.11A 4k17B-4yztA:
2.8
4k17B-4yztA:
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.
4z3y IRON-SULFUR
CLUSTER-BINDING
OXIDOREDUCTASE,
PUTATIVE BENZOYL-COA
REDUCTASE ELECTRON
TRANSFER PROTEIN


(Geobacter
metallireducens)
no annotation 4 GLU E  27
ARG E  24
PRO E  44
SER E  31
None
1.04A 4k17B-4z3yE:
undetectable
4k17B-4z3yE:
13.90
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.
5c17 MERB2

(Bacillus
megaterium)
PF03243
(MerB)
4 GLU A 128
SER A 173
PRO A 144
SER A 146
None
0.98A 4k17B-5c17A:
undetectable
4k17B-5c17A:
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.
5css TRIOSEPHOSPHATE
ISOMERASE


(Thermoplasma
acidophilum)
PF00121
(TIM)
4 GLU A 180
SER A 149
ARG A 183
SER A 147
None
1.42A 4k17B-5cssA:
undetectable
4k17B-5cssA:
14.78
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.
5diz PROTEINACEOUS RNASE
P 2


(Arabidopsis
thaliana)
PF16953
(PRORP)
PF17177
(PPR_long)
4 GLU A 109
SER A 111
ARG A 145
SER A 114
None
1.26A 4k17B-5dizA:
undetectable
4k17B-5dizA:
21.63
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.
5ewq AMIDASE

(Bacillus
anthracis)
PF01425
(Amidase)
4 GLU A 247
SER A 228
ARG A 265
SER A 227
None
1.33A 4k17B-5ewqA:
undetectable
4k17B-5ewqA:
21.25
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.
5fsw RNA DEPENDENT RNA
POLYMERASE QDE-1


(Thielavia
terrestris)
PF05183
(RdRP)
4 GLU A  51
ARG A  54
PRO A 101
SER A 102
None
1.45A 4k17B-5fswA:
undetectable
4k17B-5fswA:
21.91
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.
5gkx UNCHARACTERIZED
PROTEIN


(Thermococcus
onnurineus)
PF14336
(DUF4392)
4 GLU A 226
SER A 230
PRO A 243
SER A 229
None
1.25A 4k17B-5gkxA:
undetectable
4k17B-5gkxA:
17.57
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.
5h4r BETA-1,3-1,4-GLUCANA
SE


(Caldicellulosiruptor
sp. F32)
PF00150
(Cellulase)
4 GLU A 386
ARG A  22
PRO A 385
SER A 389
None
1.31A 4k17B-5h4rA:
undetectable
4k17B-5h4rA:
21.04
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN


(Chaetomium
thermophilum)
PF01039
(Carboxyl_trans)
PF08326
(ACC_central)
4 GLU A2054
ARG A2166
PRO A2203
SER A2202
None
1.42A 4k17B-5i6gA:
2.8
4k17B-5i6gA:
20.07
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN


(Chaetomium
thermophilum)
PF01039
(Carboxyl_trans)
PF08326
(ACC_central)
4 GLU A2054
ARG A2166
PRO A2203
SER A2202
None
1.43A 4k17B-5i6hA:
3.1
4k17B-5i6hA:
19.07
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN


(Chaetomium
thermophilum)
PF01039
(Carboxyl_trans)
PF08326
(ACC_central)
4 GLU A2054
ARG A2166
PRO A2203
SER A2202
None
1.42A 4k17B-5i6iA:
2.9
4k17B-5i6iA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ixq RECEPTOR-LIKE
PROTEIN KINASE 5


(Arabidopsis
thaliana)
PF08263
(LRRNT_2)
PF13855
(LRR_8)
4 GLU A 433
SER A 459
ARG A 409
SER A 481
None
MG  A 715 (-3.0A)
None
MG  A 715 (-3.1A)
1.44A 4k17B-5ixqA:
5.6
4k17B-5ixqA:
27.26
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F


(Escherichia
coli)
PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C)
4 GLU A 851
SER A 772
ARG A 843
SER A 771
None
1.20A 4k17B-5ja1A:
2.2
4k17B-5ja1A:
20.15
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.
5jpn COMPLEMENT C4-A
COMPLEMENT C4-A


(Homo sapiens;
Homo sapiens)
PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
PF01759
(NTR)
PF07677
(A2M_recep)
4 GLU C1534
SER C1532
ARG B 722
PRO C1530
None
1.15A 4k17B-5jpnC:
undetectable
4k17B-5jpnC:
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae)
no annotation 4 GLU B 126
SER B 127
PRO B 180
SER B 179
None
None
None
CL  B 709 (-3.4A)
1.21A 4k17B-5oarB:
undetectable
4k17B-5oarB:
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.
5ttk AMINE OXIDASE

(Pseudomonas
putida)
PF01593
(Amino_oxidase)
4 GLU A 454
SER A 456
ARG A  91
SER A 469
None
None
FAD  A 501 (-3.9A)
None
1.43A 4k17B-5ttkA:
undetectable
4k17B-5ttkA:
21.11
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis)
no annotation 4 GLU A 207
SER A 560
ARG A 516
PRO A 690
None
1.24A 4k17B-5uj1A:
undetectable
4k17B-5uj1A:
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans)
PF03639
(Glyco_hydro_81)
4 GLU A 480
ARG A 416
PRO A 401
SER A 357
None
None
None
EDO  A 820 (-4.0A)
1.35A 4k17B-5v1wA:
undetectable
4k17B-5v1wA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vlj NUCLEAR DISTRIBUTION
PROTEIN PAC1


(Saccharomyces
cerevisiae)
PF00400
(WD40)
4 GLU B 386
ARG B 408
PRO B 390
SER B 331
None
1.08A 4k17B-5vljB:
2.7
4k17B-5vljB:
18.84
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE


(Mycolicibacterium
hassiacum)
PF00561
(Abhydrolase_1)
4 GLU A 239
SER A 346
ARG A 243
SER A 319
None
1.46A 4k17B-5w8oA:
1.0
4k17B-5w8oA:
17.96
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.
5xfh SALT STRESS-INDUCED
PROTEIN


(Oryza sativa)
no annotation 4 GLU A  77
SER A  79
PRO A 118
SER A 116
None
1.38A 4k17B-5xfhA:
undetectable
4k17B-5xfhA:
13.03
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.
5y0s THERMOTOGA MARITIMA
TMCAL


(Thermotoga
maritima)
no annotation 4 GLU A 224
SER A 228
ARG A 221
SER A 208
None
1.47A 4k17B-5y0sA:
undetectable
4k17B-5y0sA:
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE


(Pseudomonas
aeruginosa)
no annotation 4 GLU A 185
ARG A 212
PRO A 290
SER A 241
None
1.36A 4k17B-5ykdA:
undetectable
4k17B-5ykdA:
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14


(Arabidopsis
thaliana)
no annotation 4 GLU A 218
ARG A  50
PRO A  51
SER A 367
None
1.36A 4k17B-5yknA:
undetectable
4k17B-5yknA:
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.
5zzk MONOFUNCTIONAL
GLYCOSYLTRANSFERASE


(Staphylococcus
aureus)
no annotation 4 GLU A  77
SER A  84
ARG A  74
SER A 174
None
1.42A 4k17B-5zzkA:
undetectable
4k17B-5zzkA:
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.
6cp0 -

(-)
no annotation 4 GLU A  38
SER A 457
ARG A 431
PRO A 449
None
1.42A 4k17B-6cp0A:
undetectable
4k17B-6cp0A:
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.
6eoj PROTEIN CFT1
POLYADENYLATION
FACTOR SUBUNIT
2,POLYADENYLATION
FACTOR SUBUNIT 2


(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae)
no annotation
no annotation
4 GLU A1046
ARG D 379
PRO D  38
SER D  36
None
1.38A 4k17B-6eojA:
4.1
4k17B-6eojA:
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.
6eoj PROTEIN CFT1
POLYADENYLATION
FACTOR SUBUNIT
2,POLYADENYLATION
FACTOR SUBUNIT 2


(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae)
no annotation
no annotation
4 GLU A1046
ARG D 379
PRO D  38
SER D  37
None
1.46A 4k17B-6eojA:
4.1
4k17B-6eojA:
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.
6f1d COMPLEMENT C1R
SUBCOMPONENT


(Homo sapiens)
no annotation 4 GLU A 192
SER A 190
ARG A 195
SER A 189
None
NA  A 301 (-2.8A)
None
None
1.26A 4k17B-6f1dA:
undetectable
4k17B-6f1dA:
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4


(Streptoalloteichus
tenebrarius)
no annotation 4 GLU B 235
SER B 199
ARG B 231
PRO B 177
None
1.36A 4k17B-6fd2B:
2.5
4k17B-6fd2B:
undetectable