SIMILAR PATTERNS OF AMINO ACIDS FOR 4XI3_D_29SD601_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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		3 LEU B 244
ASP B 297
ILE B 290
 None
 0.60A 4xi3D-1a6dB:
0.0		 4xi3D-1a6dB:
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.
1am2 MXE GYRA INTEIN

(Mycobacterium
xenopi) 		no annotation 3 LEU A  50
ASP A  48
ILE A   2
 None
 0.58A 4xi3D-1am2A:
0.0		 4xi3D-1am2A:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		3 LEU A  49
ASP A  90
ILE A 272
 None
 0.70A 4xi3D-1booA:
0.0		 4xi3D-1booA:
20.25
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.
1cen CELLULASE CELC

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		3 LEU A  10
ASP A  88
ILE A 322
 None
 0.55A 4xi3D-1cenA:
0.0		 4xi3D-1cenA:
20.85
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.
1ci9 PROTEIN
(CARBOXYLESTERASE)

(Burkholderia
gladioli) 		PF00144
(Beta-lactamase) 		3 LEU A  22
ASP A  27
ILE A  41
 None
 0.58A 4xi3D-1ci9A:
0.0		 4xi3D-1ci9A:
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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		3 LEU A 262
ASP A  56
ILE A 286
 None
CA  A 803 (-2.5A)
None
 0.71A 4xi3D-1cvmA:
0.0		 4xi3D-1cvmA:
20.62
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		3 LEU A  33
ASP A 198
ILE A  79
 None
 0.69A 4xi3D-1dgjA:
0.0		 4xi3D-1dgjA:
14.40
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.
1dll TETANUS TOXIN

(Clostridium
tetani) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 LEU A1130
ASP A1139
ILE A1176
 None
 0.67A 4xi3D-1dllA:
0.0		 4xi3D-1dllA:
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.
1e32 P97

(Mus musculus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		3 LEU A  41
ASP A  47
ILE A  70
 None
 0.52A 4xi3D-1e32A:
0.0		 4xi3D-1e32A:
19.83
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.
1eav MOLYBDOPTERIN
BIOSYNTHESIS CNX1
PROTEIN

(Arabidopsis
thaliana) 		PF00994
(MoCF_biosynth) 		3 LEU A  63
ASP A  68
ILE A 135
 None
 0.66A 4xi3D-1eavA:
undetectable		 4xi3D-1eavA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eay CHEA

(Escherichia
coli) 		PF09078
(CheY-binding) 		3 LEU C 164
ASP C 193
ILE C 198
 None
 0.40A 4xi3D-1eayC:
undetectable		 4xi3D-1eayC:
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.
1eep INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00478
(IMPDH) 		3 LEU A 169
ASP A 217
ILE A 155
 None
 0.62A 4xi3D-1eepA:
undetectable		 4xi3D-1eepA:
20.10
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.
1f2h TUMOR NECROSIS
FACTOR RECEPTOR TYPE
1 ASSOCIATED DEATH
DOMAIN PROTEIN

(Homo sapiens) 		PF09034
(TRADD_N) 		3 LEU A 118
ASP A 126
ILE A  72
 None
 0.65A 4xi3D-1f2hA:
undetectable		 4xi3D-1f2hA:
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		3 LEU A 357
ASP A 359
ILE A 390
 None
 0.70A 4xi3D-1fw8A:
undetectable		 4xi3D-1fw8A:
22.09
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.
1g5q EPIDERMIN MODIFYING
ENZYME EPID

(Staphylococcus
epidermidis) 		PF02441
(Flavoprotein) 		3 LEU A   5
ASP A  54
ILE A 165
 None
 0.67A 4xi3D-1g5qA:
undetectable		 4xi3D-1g5qA:
21.22
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 LEU A 299
ASP A 306
ILE A 273
 None
MGD  A5002 (-3.0A)
None
 0.61A 4xi3D-1g8kA:
undetectable		 4xi3D-1g8kA:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ga7 HYPOTHETICAL 23.7
KDA PROTEIN IN
ICC-TOLC INTERGENIC
REGION

(Escherichia
coli) 		PF00293
(NUDIX) 		3 LEU A 204
ASP A  70
ILE A 143
 None
 0.71A 4xi3D-1ga7A:
undetectable		 4xi3D-1ga7A:
20.97
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.
1guq GALACTOSE-1-PHOSPHAT
E
URIDYLYLTRANSFERASE

(Escherichia
coli) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		3 LEU A  82
ASP A  85
ILE A 169
 None
 0.58A 4xi3D-1guqA:
undetectable		 4xi3D-1guqA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		3 LEU A  42
ASP A 341
ILE A  26
 None
 0.64A 4xi3D-1hkwA:
undetectable		 4xi3D-1hkwA:
19.65
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.
1ihc GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth) 		3 LEU A  70
ASP A  75
ILE A 142
 None
 0.61A 4xi3D-1ihcA:
undetectable		 4xi3D-1ihcA:
20.97
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.
1iko EPHRIN-B2

(Mus musculus) 		PF00812
(Ephrin) 		3 LEU P  33
ASP P  62
ILE P  57
 None
 0.67A 4xi3D-1ikoP:
undetectable		 4xi3D-1ikoP:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1joe AUTOINDUCER-2
PRODUCTION PROTEIN

(Haemophilus
influenzae) 		PF02664
(LuxS) 		3 LEU A  68
ASP A  66
ILE A  92
 None
 0.65A 4xi3D-1joeA:
undetectable		 4xi3D-1joeA:
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.
1jqq PEROXISOMAL MEMBRANE
PROTEIN PAS20

(Saccharomyces
cerevisiae) 		PF00018
(SH3_1) 		3 LEU A  20
ASP A  22
ILE A  76
 None
 0.53A 4xi3D-1jqqA:
undetectable		 4xi3D-1jqqA:
17.49
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		3 LEU A  97
ASP A 102
ILE A 165
 None
 0.71A 4xi3D-1js4A:
undetectable		 4xi3D-1js4A:
16.03
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.
1ka0 HALOTOLERANCE
PROTEIN HAL2

(Saccharomyces
cerevisiae) 		PF00459
(Inositol_P) 		3 LEU A 343
ASP A 315
ILE A 256
 None
 0.64A 4xi3D-1ka0A:
2.8		 4xi3D-1ka0A:
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		3 LEU A  68
ASP A 176
ILE A  79
 None
 0.70A 4xi3D-1kpiA:
undetectable		 4xi3D-1kpiA:
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.
1kvk MEVALONATE KINASE

(Rattus
norvegicus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		3 LEU A 294
ASP A 299
ILE A 372
 None
 0.58A 4xi3D-1kvkA:
undetectable		 4xi3D-1kvkA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		3 LEU A  62
ASP A  57
ILE A 271
 None
 0.71A 4xi3D-1l2qA:
undetectable		 4xi3D-1l2qA:
19.09
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.
1lth L-LACTATE
DEHYDROGENASE (T-
AND R- STATE
TETRAMER COMPLEX)

(Bifidobacterium
longum) 		no annotation 3 LEU T 122
ASP T 128
ILE T 119
 None
 0.71A 4xi3D-1lthT:
undetectable		 4xi3D-1lthT:
21.70
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.
1lvg GUANYLATE KINASE

(Mus musculus) 		PF00625
(Guanylate_kin) 		3 LEU A  20
ASP A 101
ILE A 170
 None
5GP  A1202 ( 3.4A)
None
 0.61A 4xi3D-1lvgA:
undetectable		 4xi3D-1lvgA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lw7 TRANSCRIPTIONAL
REGULATOR NADR

(Haemophilus
influenzae) 		PF01467
(CTP_transf_like)
PF13521
(AAA_28) 		3 LEU A 367
ASP A 372
ILE A 231
 None
 0.53A 4xi3D-1lw7A:
undetectable		 4xi3D-1lw7A:
19.20
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.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 LEU B 156
ASP B 647
ILE B 151
 None
 0.63A 4xi3D-1m2vB:
undetectable		 4xi3D-1m2vB:
13.06
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		3 LEU D 485
ASP D 170
ILE D 469
 None
 0.62A 4xi3D-1mtyD:
undetectable		 4xi3D-1mtyD:
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.
1mzr 2,5-DIKETO-D-GLUCONA
TE REDUCTASE A

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		3 LEU A  90
ASP A  82
ILE A  74
 None
 0.66A 4xi3D-1mzrA:
undetectable		 4xi3D-1mzrA:
23.36
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 LEU A  36
ASP A 595
ILE A  91
 None
 0.69A 4xi3D-1n5xA:
undetectable		 4xi3D-1n5xA:
10.68
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 LEU A 834
ASP A 740
ILE A 666
 None
 0.64A 4xi3D-1n5xA:
undetectable		 4xi3D-1n5xA:
10.68
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.
1nfd N15 ALPHA-BETA
T-CELL RECEPTOR

(Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		3 LEU A 140
ASP A 137
ILE A 162
 None
 0.68A 4xi3D-1nfdA:
undetectable		 4xi3D-1nfdA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nij HYPOTHETICAL PROTEIN
YJIA

(Escherichia
coli) 		PF02492
(cobW)
PF07683
(CobW_C) 		3 LEU A  80
ASP A  85
ILE A  33
 None
 0.63A 4xi3D-1nijA:
undetectable		 4xi3D-1nijA:
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.
1no5 HYPOTHETICAL PROTEIN
HI0073

(Haemophilus
influenzae) 		PF01909
(NTP_transf_2) 		3 LEU A  80
ASP A  46
ILE A  52
 None
ZN  A 511 ( 2.5A)
None
 0.69A 4xi3D-1no5A:
undetectable		 4xi3D-1no5A:
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.
1oed ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN

(Torpedo
marmorata) 		PF02932
(Neur_chan_memb) 		3 LEU B 263
ASP B 268
ILE B 296
 None
 0.64A 4xi3D-1oedB:
undetectable		 4xi3D-1oedB:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ort ORNITHINE
TRANSCARBAMOYLASE

(Pseudomonas
aeruginosa) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 LEU A  24
ASP A  29
ILE A 156
 None
 0.59A 4xi3D-1ortA:
undetectable		 4xi3D-1ortA:
19.10
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 3 LEU B 199
ASP B  79
ILE B 175
 None
PLP  B 764 ( 4.5A)
None
 0.63A 4xi3D-1p3wB:
undetectable		 4xi3D-1p3wB:
20.78
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.
1p4m RIBOFLAVIN KINASE

(Homo sapiens) 		PF01687
(Flavokinase) 		3 LEU A 119
ASP A 117
ILE A  32
 None
 0.65A 4xi3D-1p4mA:
undetectable		 4xi3D-1p4mA:
19.26
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.
1p9m INTERLEUKIN-6
RECEPTOR BETA CHAIN

(Homo sapiens) 		PF00041
(fn3)
PF06328
(Lep_receptor_Ig)
PF09240
(IL6Ra-bind) 		3 LEU A  28
ASP A  34
ILE A  59
 None
 0.71A 4xi3D-1p9mA:
undetectable		 4xi3D-1p9mA:
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.
1pa4 PROBABLE
RIBOSOME-BINDING
FACTOR A

(Mycoplasma
pneumoniae) 		PF02033
(RBFA) 		3 LEU A  51
ASP A  94
ILE A  14
 None
 0.71A 4xi3D-1pa4A:
undetectable		 4xi3D-1pa4A:
20.60
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.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 LEU A 321
ASP A 318
ILE A 312
 None
 0.68A 4xi3D-1pguA:
undetectable		 4xi3D-1pguA:
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.
1qnh PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		3 LEU A  25
ASP A  28
ILE A  22
 None
 0.62A 4xi3D-1qnhA:
undetectable		 4xi3D-1qnhA:
20.32
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		3 LEU A  13
ASP A  15
ILE A  46
 None
 0.66A 4xi3D-1qpgA:
undetectable		 4xi3D-1qpgA:
19.18
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.
1t4w C.ELEGANS P53 TUMOR
SUPPRESSOR-LIKE
TRANSCRIPTION FACTOR

(Caenorhabditis
elegans) 		PF09287
(CEP1-DNA_bind) 		3 LEU A 344
ASP A 382
ILE A 357
 None
 0.71A 4xi3D-1t4wA:
undetectable		 4xi3D-1t4wA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u5v CITE

(Mycobacterium
tuberculosis) 		PF03328
(HpcH_HpaI) 		3 LEU A 183
ASP A 187
ILE A 140
 None
 0.65A 4xi3D-1u5vA:
undetectable		 4xi3D-1u5vA:
24.91
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.
1u89 TALIN 1

(Mus musculus) 		no annotation 3 LEU A 764
ASP A 760
ILE A 812
 None
 0.69A 4xi3D-1u89A:
undetectable		 4xi3D-1u89A:
17.21
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		3 LEU A 218
ASP A 215
ILE A 243
 None
 0.69A 4xi3D-1uedA:
undetectable		 4xi3D-1uedA:
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.
1umg 385AA LONG CONSERVED
HYPOTHETICAL PROTEIN

(Sulfurisphaera
tokodaii) 		PF01950
(FBPase_3) 		3 LEU A  55
ASP A  53
ILE A  58
 None
MG  A 403 (-2.7A)
None
 0.65A 4xi3D-1umgA:
undetectable		 4xi3D-1umgA:
22.07
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.
1umg 385AA LONG CONSERVED
HYPOTHETICAL PROTEIN

(Sulfurisphaera
tokodaii) 		PF01950
(FBPase_3) 		3 LEU A 213
ASP A 210
ILE A 202
 None
 0.60A 4xi3D-1umgA:
undetectable		 4xi3D-1umgA:
22.07
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.
1uxt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
(NADP+)

(Thermoproteus
tenax) 		PF00171
(Aldedh) 		3 LEU A  83
ASP A  88
ILE A 475
 None
 0.61A 4xi3D-1uxtA:
undetectable		 4xi3D-1uxtA:
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.
1vdw HYPOTHETICAL PROTEIN
PH1897

(Pyrococcus
horikoshii) 		PF00459
(Inositol_P) 		3 LEU A 172
ASP A  87
ILE A 151
 None
EDO  A1002 (-2.8A)
None
 0.58A 4xi3D-1vdwA:
undetectable		 4xi3D-1vdwA:
20.44
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.
1vjz ENDOGLUCANASE

(Thermotoga
maritima) 		PF00150
(Cellulase) 		3 LEU A  85
ASP A 176
ILE A  67
 None
 0.68A 4xi3D-1vjzA:
undetectable		 4xi3D-1vjzA:
19.41
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 LEU A 334
ASP A 345
ILE A 327
 None
 0.65A 4xi3D-1vljA:
undetectable		 4xi3D-1vljA:
19.04
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.
1vls ASPARTATE RECEPTOR

(Salmonella
enterica) 		PF02203
(TarH) 		3 LEU A 137
ASP A 142
ILE A  65
 None
 0.71A 4xi3D-1vlsA:
undetectable		 4xi3D-1vlsA:
16.09
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		3 LEU A 519
ASP A 524
ILE A 324
 None
 0.66A 4xi3D-1w27A:
undetectable		 4xi3D-1w27A:
17.32
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 LEU A  75
ASP A 605
ILE A 541
 None
 0.49A 4xi3D-1wkbA:
undetectable		 4xi3D-1wkbA:
15.26
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.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		3 LEU A 190
ASP A 144
ILE A 136
 None
 0.67A 4xi3D-1wnoA:
undetectable		 4xi3D-1wnoA:
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 LEU A  75
ASP A 605
ILE A 541
 None
 0.48A 4xi3D-1wz2A:
undetectable		 4xi3D-1wz2A:
13.04
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.
1xi6 EXTRAGENIC
SUPPRESSOR

(Pyrococcus
furiosus) 		PF00459
(Inositol_P) 		3 LEU A 173
ASP A  87
ILE A 152
 None
 0.66A 4xi3D-1xi6A:
undetectable		 4xi3D-1xi6A:
20.44
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.
1xx7 OXETANOCIN-LIKE
PROTEIN

(Pyrococcus
furiosus) 		PF13023
(HD_3) 		3 LEU A  11
ASP A  32
ILE A   5
 None
 0.69A 4xi3D-1xx7A:
undetectable		 4xi3D-1xx7A:
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.
1y3t HYPOTHETICAL PROTEIN
YXAG

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		3 LEU A 204
ASP A 202
ILE A 207
 None
 0.67A 4xi3D-1y3tA:
undetectable		 4xi3D-1y3tA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Pyrococcus
abyssi) 		PF00710
(Asparaginase) 		3 LEU A 285
ASP A 270
ILE A 276
 None
 0.67A 4xi3D-1zq1A:
undetectable		 4xi3D-1zq1A:
19.77
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi) 		PF00710
(Asparaginase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		3 LEU A  61
ASP C 117
ILE A  12
 None
 0.65A 4xi3D-1zq1A:
undetectable		 4xi3D-1zq1A:
19.77
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		3 LEU A 261
ASP A 293
ILE A 309
 None
LYS  A 420 ( 3.2A)
None
 0.55A 4xi3D-2a5hA:
undetectable		 4xi3D-2a5hA:
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		3 LEU A  58
ASP A 324
ILE A 157
 None
 0.45A 4xi3D-2amxA:
undetectable		 4xi3D-2amxA:
19.85
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		3 LEU A 205
ASP A 210
ILE A 193
 None
NA  A 503 ( 4.2A)
None
 0.59A 4xi3D-2anpA:
undetectable		 4xi3D-2anpA:
21.64
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.
2apl HYPOTHETICAL PROTEIN
PG0816

(Porphyromonas
gingivalis) 		PF08989
(DUF1896) 		3 LEU A  70
ASP A  76
ILE A  34
 None
 0.70A 4xi3D-2aplA:
undetectable		 4xi3D-2aplA:
21.16
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.
2asr ASPARTATE RECEPTOR

(Escherichia
coli) 		PF02203
(TarH) 		3 LEU A 137
ASP A 142
ILE A  65
 None
 0.67A 4xi3D-2asrA:
undetectable		 4xi3D-2asrA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2atv RAS-LIKE
ESTROGEN-REGULATED
GROWTH INHIBITOR

(Homo sapiens) 		PF00071
(Ras) 		3 LEU A  98
ASP A 103
ILE A  11
 None
 0.50A 4xi3D-2atvA:
undetectable		 4xi3D-2atvA:
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.
2ay9 AROMATIC AMINO ACID
AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00155
(Aminotran_1_2) 		3 LEU A 202
ASP A 230
ILE A 208
 None
 0.68A 4xi3D-2ay9A:
undetectable		 4xi3D-2ay9A:
22.45
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.
2ayn UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 14

(Homo sapiens) 		PF00443
(UCH) 		3 LEU A 214
ASP A 243
ILE A 151
 None
 0.55A 4xi3D-2aynA:
undetectable		 4xi3D-2aynA:
19.65
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		3 LEU A 671
ASP A 673
ILE A 767
 None
 0.69A 4xi3D-2b3xA:
undetectable		 4xi3D-2b3xA:
13.02
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.
2bvm TOXIN B

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		3 LEU A 265
ASP A 270
ILE A 107
 UDP  A1543 (-3.9A)
GLC  A1544 (-2.9A)
None
 0.70A 4xi3D-2bvmA:
undetectable		 4xi3D-2bvmA:
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.
2bwm PSATHYRELLA VELUTINA
LECTIN PVL

(Lacrymaria
velutina) 		PF13517
(VCBS) 		3 LEU A 377
ASP A 379
ILE A 352
 None
 0.65A 4xi3D-2bwmA:
undetectable		 4xi3D-2bwmA:
19.55
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.
2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE

(Streptococcus
pneumoniae) 		PF01522
(Polysacc_deac_1) 		3 LEU A  53
ASP A  58
ILE A 134
 None
 0.64A 4xi3D-2c1iA:
undetectable		 4xi3D-2c1iA:
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.
2cqz 177AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13023
(HD_3) 		3 LEU A  11
ASP A  32
ILE A   5
 None
 0.63A 4xi3D-2cqzA:
undetectable		 4xi3D-2cqzA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2csq RIM BINDING PROTEIN
2

(Homo sapiens) 		PF07653
(SH3_2) 		3 LEU A  23
ASP A  25
ILE A  81
 None
 0.65A 4xi3D-2csqA:
undetectable		 4xi3D-2csqA:
15.23
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.
2ddz 190AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF04017
(DUF366) 		3 LEU A 138
ASP A  67
ILE A 104
 None
 0.65A 4xi3D-2ddzA:
undetectable		 4xi3D-2ddzA:
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.
2dl2 PROTEIN (MHC CLASS I
NK CELL RECEPTOR
PRECURSOR (P58
NATURAL KILLER CELL
RECEPTOR CLONE
CL-43))

(Homo sapiens) 		PF00047
(ig) 		3 LEU A  39
ASP A  47
ILE A  25
 None
 0.66A 4xi3D-2dl2A:
undetectable		 4xi3D-2dl2A:
24.29
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43) 		3 LEU A  62
ASP A 118
ILE A  65
 GOL  A2008 ( 4.8A)
None
None
 0.63A 4xi3D-2exhA:
undetectable		 4xi3D-2exhA:
18.11
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		3 LEU B 620
ASP B 647
ILE B 472
 None
 0.72A 4xi3D-2fffB:
undetectable		 4xi3D-2fffB:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fgy CARBOXYSOME SHELL
POLYPEPTIDE

(Halothiobacillus
neapolitanus) 		PF08936
(CsoSCA) 		3 LEU A  62
ASP A  67
ILE A 185
 None
 0.35A 4xi3D-2fgyA:
undetectable		 4xi3D-2fgyA:
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.
2fsv NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Rhodospirillum
rubrum) 		PF02233
(PNTB) 		3 LEU C  66
ASP C  71
ILE C  84
 None
 0.68A 4xi3D-2fsvC:
undetectable		 4xi3D-2fsvC:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ft0 TDP-FUCOSAMINE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 3 LEU A 155
ASP A 136
ILE A 141
 None
 0.69A 4xi3D-2ft0A:
undetectable		 4xi3D-2ft0A:
23.40
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		3 LEU A 610
ASP A 563
ILE A 687
 PO4  A 944 ( 3.9A)
None
None
 0.66A 4xi3D-2fuqA:
undetectable		 4xi3D-2fuqA:
14.72
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		3 LEU A 772
ASP A 782
ILE A 646
 None
 0.70A 4xi3D-2hg4A:
undetectable		 4xi3D-2hg4A:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hiv THERMOSTABLE DNA
LIGASE

(Sulfolobus
solfataricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		3 LEU A 349
ASP A 258
ILE A 306
 None
 0.49A 4xi3D-2hivA:
undetectable		 4xi3D-2hivA:
16.26
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.
2hle EPHRIN-B2

(Homo sapiens) 		PF00812
(Ephrin) 		3 LEU B  33
ASP B  62
ILE B  57
 None
 0.70A 4xi3D-2hleB:
undetectable		 4xi3D-2hleB:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		3 LEU A 282
ASP A 103
ILE A 339
 None
 0.59A 4xi3D-2i7xA:
undetectable		 4xi3D-2i7xA:
16.13
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.
2i99 MU-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF02423
(OCD_Mu_crystall) 		3 LEU A 212
ASP A 260
ILE A 141
 None
 0.67A 4xi3D-2i99A:
undetectable		 4xi3D-2i99A:
23.03
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.
2ihy ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Staphylococcus
aureus) 		PF00005
(ABC_tran) 		3 LEU A 185
ASP A 190
ILE A 207
 None
 0.70A 4xi3D-2ihyA:
undetectable		 4xi3D-2ihyA:
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.
2iye COPPER-TRANSPORTING
ATPASE

(Sulfolobus
solfataricus) 		PF00702
(Hydrolase) 		3 LEU A 421
ASP A 517
ILE A 414
 None
 0.67A 4xi3D-2iyeA:
undetectable		 4xi3D-2iyeA:
23.59
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.
2j04 HYPOTHETICAL PROTEIN
YPL007C

(Saccharomyces
cerevisiae) 		PF12660
(zf-TFIIIC) 		3 LEU A 294
ASP A 296
ILE A 234
 None
 0.64A 4xi3D-2j04A:
undetectable		 4xi3D-2j04A:
18.00
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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		3 LEU A 620
ASP A 647
ILE A 472
 None
 0.70A 4xi3D-2jchA:
undetectable		 4xi3D-2jchA:
15.59
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.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A 263
ASP A 256
ILE A 192
 None
 0.71A 4xi3D-2jgzA:
undetectable		 4xi3D-2jgzA:
22.90