SIMILAR PATTERNS OF AMINO ACIDS FOR 3D4S_A_TIMA401_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.
1bs9 ACETYL XYLAN
ESTERASE

(Talaromyces
purpureogenus) 		PF01083
(Cutinase) 		3 THR A 186
SER A 174
PHE A 136
 SO4  A 208 ( 4.2A)
SO4  A 208 (-2.5A)
None
 0.88A 3d4sA-1bs9A:
undetectable		 3d4sA-1bs9A:
16.84
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.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 THR A  41
SER A 144
PHE A  19
 None
 0.88A 3d4sA-1f8fA:
undetectable		 3d4sA-1f8fA:
22.72
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.
1ggp PROTEIN (LECTIN 1 A
CHAIN)

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		3 THR A  53
SER A  65
PHE A  86
 None
 0.90A 3d4sA-1ggpA:
0.0		 3d4sA-1ggpA:
18.81
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 THR A 550
SER A 160
PHE A 553
 None
 0.70A 3d4sA-1kqfA:
0.0		 3d4sA-1kqfA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 THR A  32
SER A  31
PHE A  54
 None
 0.87A 3d4sA-1kwmA:
undetectable		 3d4sA-1kwmA:
20.08
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.
1mkm ICLR TRANSCRIPTIONAL
REGULATOR

(Thermotoga
maritima) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		3 THR A 133
SER A 135
PHE A 221
 ZN  A 402 (-4.1A)
None
None
 0.72A 3d4sA-1mkmA:
undetectable		 3d4sA-1mkmA:
21.36
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.
1n1a FKBP52

(Homo sapiens) 		PF00254
(FKBP_C) 		3 THR A  58
SER A  69
PHE A 135
 None
 0.70A 3d4sA-1n1aA:
undetectable		 3d4sA-1n1aA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 THR A 301
SER A 299
PHE A 292
 None
SO4  A 901 (-2.6A)
None
 0.90A 3d4sA-1o99A:
undetectable		 3d4sA-1o99A:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p43 ENOLASE 1

(Saccharomyces
cerevisiae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 THR A 325
SER A 355
PHE A 363
 None
 0.89A 3d4sA-1p43A:
0.0		 3d4sA-1p43A:
21.42
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		3 THR A  27
SER A  78
PHE A  87
 None
 0.69A 3d4sA-1poiA:
undetectable		 3d4sA-1poiA:
21.08
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		3 THR E 198
SER E 196
PHE E 305
 None
 0.85A 3d4sA-1qrpE:
undetectable		 3d4sA-1qrpE:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		3 THR A  92
SER A  97
PHE A 102
 None
 0.78A 3d4sA-1qs8A:
undetectable		 3d4sA-1qs8A:
21.06
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.
1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		3 THR A 313
SER A 328
PHE A 393
 None
 0.80A 3d4sA-1rxtA:
undetectable		 3d4sA-1rxtA:
19.86
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.
1sqh HYPOTHETICAL PROTEIN
CG14615-PA

(Drosophila
melanogaster) 		PF08445
(FR47) 		3 THR A 125
SER A  92
PHE A  68
 None
 0.88A 3d4sA-1sqhA:
undetectable		 3d4sA-1sqhA:
23.86
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 THR A  56
SER A  45
PHE A 337
 None
 0.79A 3d4sA-1v7vA:
undetectable		 3d4sA-1v7vA:
20.59
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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		3 THR A 114
SER A 112
PHE A 108
 PLP  A 513 (-3.8A)
PLP  A 513 ( 4.0A)
None
 0.90A 3d4sA-1vefA:
undetectable		 3d4sA-1vefA:
21.02
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.
1wf7 ENIGMA HOMOLOGUE
PROTEIN

(Mus musculus) 		PF00595
(PDZ) 		3 THR A  83
SER A   8
PHE A  19
 None
 0.79A 3d4sA-1wf7A:
undetectable		 3d4sA-1wf7A:
13.71
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.
1x1g PLECKSTRIN 2

(Homo sapiens) 		PF00169
(PH) 		3 THR A  96
SER A  69
PHE A  92
 None
 0.88A 3d4sA-1x1gA:
undetectable		 3d4sA-1x1gA:
14.93
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.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		3 THR A 268
SER A 146
PHE A 131
 None
 0.61A 3d4sA-1x7pA:
undetectable		 3d4sA-1x7pA:
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.
1xn5 BH1534 UNKNOWN
CONSERVED PROTEIN

(Bacillus
halodurans) 		PF08327
(AHSA1) 		3 THR A  81
SER A  70
PHE A  34
 None
 0.90A 3d4sA-1xn5A:
undetectable		 3d4sA-1xn5A:
13.27
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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		3 THR A 238
SER A 240
PHE A  62
 None
 0.89A 3d4sA-1y4jA:
undetectable		 3d4sA-1y4jA:
22.24
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.
2a4m TRYPTOPHANYL-TRNA
SYNTHETASE II

(Deinococcus
radiodurans) 		PF00579
(tRNA-synt_1b) 		3 THR A 112
SER A 153
PHE A 161
 None
 0.50A 3d4sA-2a4mA:
undetectable		 3d4sA-2a4mA:
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.
2bmo OXYGENASE-ALPHA NBDO

(Comamonas sp.
JS765) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 THR A 297
SER A 303
PHE A 293
 None
 0.87A 3d4sA-2bmoA:
undetectable		 3d4sA-2bmoA:
22.88
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.
2crw ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 3

(Homo sapiens) 		PF01412
(ArfGap) 		3 THR A  46
SER A  67
PHE A  33
 None
 0.77A 3d4sA-2crwA:
undetectable		 3d4sA-2crwA:
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.
2ebm RWD
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF05773
(RWD) 		3 THR A  62
SER A  39
PHE A  77
 None
 0.90A 3d4sA-2ebmA:
undetectable		 3d4sA-2ebmA:
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.
2gb3 ASPARTATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		3 THR A  45
SER A 235
PHE A 286
 None
 0.83A 3d4sA-2gb3A:
undetectable		 3d4sA-2gb3A:
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.
2gdj DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51) 		3 THR A 283
SER A  99
PHE A 103
 None
MG  A 502 ( 4.7A)
None
 0.68A 3d4sA-2gdjA:
undetectable		 3d4sA-2gdjA:
20.53
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.
2i02 GENERAL STRESS
PROTEIN OF COG3871

(Nostoc
punctiforme) 		PF16242
(Pyrid_ox_like) 		3 THR A  27
SER A  37
PHE A  54
 None
 0.76A 3d4sA-2i02A:
undetectable		 3d4sA-2i02A:
15.34
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.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 THR A 884
SER A 883
PHE A 849
 None
 0.90A 3d4sA-2i1yA:
undetectable		 3d4sA-2i1yA:
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 THR A 300
SER A 298
PHE A 291
 None
 0.75A 3d4sA-2ifyA:
undetectable		 3d4sA-2ifyA:
22.63
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.
2kbo DNA DC->DU-EDITING
ENZYME APOBEC-3G

(Homo sapiens) 		PF08210
(APOBEC_N) 		3 THR A 121
SER A  96
PHE A  72
 None
 0.72A 3d4sA-2kboA:
undetectable		 3d4sA-2kboA:
16.78
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.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		3 THR A 541
SER A 535
PHE A 565
 None
 0.66A 3d4sA-2qzaA:
2.8		 3d4sA-2qzaA:
21.45
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		3 THR A1036
SER A1037
PHE A 725
 None
 0.90A 3d4sA-2vdcA:
undetectable		 3d4sA-2vdcA:
15.65
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.
3a0r SENSOR PROTEIN

(Thermotoga
maritima) 		PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c) 		3 THR A 637
SER A 676
PHE A 633
 None
 0.81A 3d4sA-3a0rA:
undetectable		 3d4sA-3a0rA:
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.
3bk5 PUTATIVE OUTER
MEMBRANE
LIPOPROTEIN-SORTING
PROTEIN

(Vibrio
parahaemolyticus) 		PF17131
(LolA_like) 		3 THR A 209
SER A 106
PHE A 169
 None
 0.55A 3d4sA-3bk5A:
undetectable		 3d4sA-3bk5A:
17.71
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.
3dyt SORTING NEXIN-9

(Homo sapiens) 		PF00787
(PX)
PF10456
(BAR_3_WASP_bdg) 		3 THR A 275
SER A 282
PHE A 353
 None
 0.88A 3d4sA-3dytA:
3.0		 3d4sA-3dytA:
19.68
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.
3etl DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
maripaludis) 		PF08423
(Rad51)
PF14520
(HHH_5) 		3 THR A 283
SER A  99
PHE A 103
 None
MG  A 502 ( 4.1A)
None
 0.77A 3d4sA-3etlA:
undetectable		 3d4sA-3etlA:
21.47
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.
3ffr PHOSPHOSERINE
AMINOTRANSFERASE
SERC

(Cytophaga
hutchinsonii) 		PF00266
(Aminotran_5) 		3 THR A 136
SER A  94
PHE A  86
 None
 0.68A 3d4sA-3ffrA:
undetectable		 3d4sA-3ffrA:
21.56
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.
3fnc PUTATIVE
ACETYLTRANSFERASE

(Listeria
innocua) 		PF13673
(Acetyltransf_10) 		3 THR A  27
SER A  23
PHE A  40
 None
None
MLI  A 161 (-4.8A)
 0.67A 3d4sA-3fncA:
undetectable		 3d4sA-3fncA:
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		3 THR A  87
SER A  84
PHE A  93
 None
 0.76A 3d4sA-3g5tA:
undetectable		 3d4sA-3g5tA:
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.
3go1 FAB 268-D, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 THR L 114
SER L 137
PHE L 118
 None
 0.81A 3d4sA-3go1L:
undetectable		 3d4sA-3go1L:
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 THR A  11
SER A  13
PHE A 141
 None
 0.74A 3d4sA-3grfA:
undetectable		 3d4sA-3grfA:
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 THR B 795
SER B 797
PHE B1036
 None
 0.83A 3d4sA-3h0gB:
undetectable		 3d4sA-3h0gB:
16.78
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 THR B 500
SER B 607
PHE B 504
 None
 0.83A 3d4sA-3hhsB:
undetectable		 3d4sA-3hhsB:
22.48
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.
3isr TRANSGLUTAMINASE-LIK
E ENZYMES, PUTATIVE
CYSTEINE PROTEASE

(Cytophaga
hutchinsonii) 		PF01841
(Transglut_core) 		3 THR A  55
SER A  53
PHE A  49
 None
 0.62A 3d4sA-3isrA:
undetectable		 3d4sA-3isrA:
21.49
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		3 THR A 306
SER A 305
PHE A  45
 None
 0.78A 3d4sA-3nbuA:
undetectable		 3d4sA-3nbuA:
23.23
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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		3 THR A  99
SER A  81
PHE A  90
 None
 0.84A 3d4sA-3nnsA:
undetectable		 3d4sA-3nnsA:
13.63
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.
3ntu DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		3 THR A 283
SER A  99
PHE A 103
 None
MG  A 502 ( 4.1A)
None
 0.79A 3d4sA-3ntuA:
undetectable		 3d4sA-3ntuA:
22.97
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.
3o4r DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Homo sapiens) 		PF13561
(adh_short_C2) 		3 THR A  38
SER A 115
PHE A 219
 None
None
NAP  A 601 (-4.1A)
 0.88A 3d4sA-3o4rA:
undetectable		 3d4sA-3o4rA:
19.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		3 THR A 115
SER A 196
PHE A 345
 None
ETQ  A1200 ( 4.6A)
ETQ  A1200 (-4.4A)
 0.75A 3d4sA-3pblA:
37.7		 3d4sA-3pblA:
56.31
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.
3phf ENVELOPE
GLYCOPROTEIN H

(Human
gammaherpesvirus
4) 		no annotation 3 THR A 181
SER A 195
PHE A 177
 None
 0.89A 3d4sA-3phfA:
undetectable		 3d4sA-3phfA:
22.65
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.
3pkj NAD-DEPENDENT
DEACETYLASE
SIRTUIN-6

(Homo sapiens) 		PF02146
(SIR2) 		3 THR A  49
SER A 110
PHE A  62
 None
None
A2N  A1000 (-3.8A)
 0.87A 3d4sA-3pkjA:
undetectable		 3d4sA-3pkjA:
18.56
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.
3rao PUTATIVE
LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		3 THR A  43
SER A  42
PHE A 333
 None
 0.89A 3d4sA-3raoA:
undetectable		 3d4sA-3raoA:
22.00
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.
3s4d LACTOSE
PHOSPHORYLASE

(Cellulomonas
uda) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 THR A  56
SER A  45
PHE A 355
 None
 0.86A 3d4sA-3s4dA:
undetectable		 3d4sA-3s4dA:
20.45
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.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 THR A 449
SER A 451
PHE A 418
 None
 0.77A 3d4sA-3urhA:
undetectable		 3d4sA-3urhA:
22.74
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.
3zd2 COMPLEMENT FACTOR
H-RELATED PROTEIN 1

(Homo sapiens) 		PF00084
(Sushi) 		3 THR A 118
SER A 117
PHE A  71
 None
 0.88A 3d4sA-3zd2A:
undetectable		 3d4sA-3zd2A:
13.75
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.
3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6

(Homo sapiens) 		PF02146
(SIR2) 		3 THR A  49
SER A 110
PHE A  62
 None
None
APR  A1296 (-3.6A)
 0.88A 3d4sA-3zg6A:
undetectable		 3d4sA-3zg6A:
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		3 THR A 817
SER A 834
PHE A 813
 None
 0.84A 3d4sA-4b56A:
undetectable		 3d4sA-4b56A:
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.
4cdg NANOBODY

(Lama glama) 		PF07686
(V-set) 		3 THR C  74
SER C  75
PHE C 127
 None
 0.80A 3d4sA-4cdgC:
undetectable		 3d4sA-4cdgC:
16.29
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.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		3 THR A 310
SER A 324
PHE A 372
 None
 0.74A 3d4sA-4cgnA:
undetectable		 3d4sA-4cgnA:
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		3 THR A  13
SER A   9
PHE A 220
 None
 0.60A 3d4sA-4ckbA:
undetectable		 3d4sA-4ckbA:
20.35
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.
4ft6 PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		3 THR A 254
SER A 259
PHE A 250
 None
 0.71A 3d4sA-4ft6A:
undetectable		 3d4sA-4ft6A:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		3 THR A 118
SER A 207
PHE A 261
 CAU  A 500 ( 4.7A)
CAU  A 500 (-4.1A)
CAU  A 500 (-4.2A)
 0.15A 3d4sA-4gbrA:
41.2		 3d4sA-4gbrA:
57.68
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Ustilago maydis) 		PF08661
(Rep_fac-A_3) 		3 THR A  39
SER A  40
PHE A  82
 None
 0.74A 3d4sA-4gnxA:
undetectable		 3d4sA-4gnxA:
12.42
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.
4jg5 PUTATIVE CELL
ADHESION PROTEIN

(Parabacteroides
distasonis) 		PF06321
(P_gingi_FimA) 		3 THR A 233
SER A 222
PHE A 128
 None
 0.82A 3d4sA-4jg5A:
undetectable		 3d4sA-4jg5A:
19.68
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		3 THR A  58
SER A  69
PHE A 135
 None
 0.80A 3d4sA-4lawA:
undetectable		 3d4sA-4lawA:
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.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		3 THR A 412
SER A 411
PHE A 395
 None
 0.87A 3d4sA-4m00A:
undetectable		 3d4sA-4m00A:
20.50
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.
4m5b COBALAMIN
BIOSYNTHESIS PROTEIN
CBIM

(Caldanaerobacter
subterraneus) 		PF01891
(CbiM) 		3 THR A  88
SER A 110
PHE A 119
 HEZ  A 309 ( 4.2A)
None
None
 0.87A 3d4sA-4m5bA:
undetectable		 3d4sA-4m5bA:
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.
4q34 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12697
(Abhydrolase_6) 		3 THR A 192
SER A 215
PHE A 317
 None
 0.80A 3d4sA-4q34A:
undetectable		 3d4sA-4q34A:
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.
4qci ANTI-PDGF-BB
ANTIBODY - LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 THR A 112
SER A 135
PHE A 116
 None
 0.70A 3d4sA-4qciA:
undetectable		 3d4sA-4qciA:
18.12
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.
4r2f EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudarthrobacter
chlorophenolicus) 		PF01547
(SBP_bac_1) 		3 THR A 109
SER A 107
PHE A 124
 None
 0.54A 3d4sA-4r2fA:
undetectable		 3d4sA-4r2fA:
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.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 THR A 577
SER A 575
PHE A 571
 None
 0.73A 3d4sA-4woeA:
undetectable		 3d4sA-4woeA:
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.
4y18 BREAST CANCER TYPE 1
SUSCEPTIBILITY
PROTEIN

(Homo sapiens) 		PF00533
(BRCT) 		3 THR A1675
SER A1651
PHE A1662
 None
 0.78A 3d4sA-4y18A:
undetectable		 3d4sA-4y18A:
18.34
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.
4ydj LIGHT CHAIN OF
ANTIBODY 44-VRC13.01

(Homo sapiens) 		no annotation 3 THR L 114
SER L 137
PHE L 118
 None
 0.81A 3d4sA-4ydjL:
undetectable		 3d4sA-4ydjL:
17.41
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.
4yo0 LIGHT CHAIN OF
ANTIGEN BINDING
FRAGMENT, FAB

(Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 THR B 136
SER B 159
PHE B 140
 None
 0.86A 3d4sA-4yo0B:
undetectable		 3d4sA-4yo0B:
17.45
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.
5cxo EPOXIDE HYDROLASE

(Streptomyces
albus) 		PF12680
(SnoaL_2) 		3 THR A 107
SER A  78
PHE A 120
 None
 0.87A 3d4sA-5cxoA:
undetectable		 3d4sA-5cxoA:
16.18
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.
5cya TUBULIN-SPECIFIC
CHAPERONE C

(Saccharomyces
cerevisiae) 		no annotation 3 THR A 160
SER A 138
PHE A 164
 None
 0.67A 3d4sA-5cyaA:
undetectable		 3d4sA-5cyaA:
21.38
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 3 THR C 429
SER C 421
PHE C 433
 None
 0.76A 3d4sA-5elpC:
undetectable		 3d4sA-5elpC:
21.55
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.
5eor ANTI VACCINIA VIRUS
A27 ANTIBODY 8E3
LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 THR L 124
SER L 147
PHE L 128
 None
 0.77A 3d4sA-5eorL:
undetectable		 3d4sA-5eorL:
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.
5er7 GAP JUNCTION BETA-2
PROTEIN

(Homo sapiens) 		no annotation 3 THR B 189
SER B 162
PHE B  69
 None
 0.67A 3d4sA-5er7B:
2.1		 3d4sA-5er7B:
20.57
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.
5f89 CAP248-2B LIGHT
CHAIN

(Homo sapiens) 		no annotation 3 THR L 115
SER L 138
PHE L 119
 None
 0.80A 3d4sA-5f89L:
undetectable		 3d4sA-5f89L:
18.05
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.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO

(Homo sapiens) 		PF12933
(FTO_NTD)
PF12934
(FTO_CTD) 		3 THR A 202
SER A 319
PHE A 296
 None
 0.85A 3d4sA-5f8pA:
undetectable		 3d4sA-5f8pA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 3 THR B 126
SER B 215
PHE B 306
 None
P32  B 400 ( 4.2A)
P32  B 400 (-4.1A)
 0.36A 3d4sA-5f8uB:
39.7		 3d4sA-5f8uB:
41.74
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.
5fus PUTATIVE ENOYL COA
HYDRATASE

(Burkholderia
cenocepacia) 		PF00378
(ECH_1) 		3 THR A 188
SER A 184
PHE A 137
 None
 0.78A 3d4sA-5fusA:
undetectable		 3d4sA-5fusA:
20.40
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.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF03071
(GNT-I)
PF15711
(ILEI) 		3 THR A 285
SER A 277
PHE A 268
 None
 0.82A 3d4sA-5gggA:
undetectable		 3d4sA-5gggA:
22.02
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.
5ltq GREEN FLUORESCENT
PROTEIN BLFP-Y3

(Branchiostoma
lanceolatum) 		PF01353
(GFP) 		3 THR A 173
SER A 153
PHE A 177
 CL  A 301 ( 4.0A)
CL  A 301 (-2.8A)
None
 0.80A 3d4sA-5ltqA:
undetectable		 3d4sA-5ltqA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mwc GENETICALLY-ENCODED
GREEN CALCIUM
INDICATOR NTNC

(synthetic
construct) 		no annotation 3 THR D 258
SER D 238
PHE D 262
 None
 0.85A 3d4sA-5mwcD:
undetectable		 3d4sA-5mwcD:
10.23
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		3 THR A  64
SER A  63
PHE A  35
 None
 0.79A 3d4sA-5neuA:
undetectable		 3d4sA-5neuA:
22.31
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.
5ocr KAPPA-CARRAGEENASE

(Zobellia
galactanivorans) 		no annotation 3 THR A  92
SER A 295
PHE A 112
 None
 0.80A 3d4sA-5ocrA:
undetectable		 3d4sA-5ocrA:
19.02
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		3 THR A 669
SER A 668
PHE A 664
 NAG  A1442 ( 4.7A)
NAG  A1442 ( 3.4A)
None
 0.90A 3d4sA-5szsA:
undetectable		 3d4sA-5szsA:
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.
5t4z ANTIBODY DH501 FAB
LIGHT CHAIN

(Macaca mulatta) 		no annotation 3 THR L 114
SER L 137
PHE L 118
 None
 0.77A 3d4sA-5t4zL:
undetectable		 3d4sA-5t4zL:
17.84
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 THR A  44
SER A 147
PHE A  22
 None
 0.75A 3d4sA-5tnxA:
undetectable		 3d4sA-5tnxA:
22.52
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.
5tw7 GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Neisseria
gonorrhoeae) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		3 THR A  16
SER A  53
PHE A 103
 None
 0.70A 3d4sA-5tw7A:
undetectable		 3d4sA-5tw7A:
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.
5ukn DH522UCA FAB
FRAGMENT LIGHT CHAIN

(Macaca mulatta) 		no annotation 3 THR L 114
SER L 137
PHE L 118
 None
 0.81A 3d4sA-5uknL:
undetectable		 3d4sA-5uknL:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		3 THR A 154
SER A 146
PHE A 104
 None
NA  A 501 (-2.4A)
None
 0.74A 3d4sA-5uldA:
1.7		 3d4sA-5uldA:
23.53
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.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 3 THR A 120
SER A 200
PHE A 410
 AQD  A1201 (-4.4A)
AQD  A1201 (-3.6A)
AQD  A1201 (-4.7A)
 0.64A 3d4sA-5wivA:
30.4		 3d4sA-5wivA:
27.63
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.
5x8z PENICILLIN V
ACYLASE-LIKE PROTEIN

(Shewanella
loihica) 		no annotation 3 THR A  77
SER A  63
PHE A 277
 None
 0.73A 3d4sA-5x8zA:
undetectable		 3d4sA-5x8zA:
9.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yim SDEA

(Legionella
pneumophila) 		no annotation 3 THR A1000
SER A 998
PHE A1005
 None
 0.69A 3d4sA-5yimA:
2.3		 3d4sA-5yimA:
11.48
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 3 THR A 348
SER A 299
PHE A 280
 None
 0.84A 3d4sA-5zalA:
undetectable		 3d4sA-5zalA:
12.21
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		no annotation 3 THR A 119
SER A 197
PHE A 389
 8NU  A2001 ( 4.4A)
8NU  A2001 ( 3.6A)
8NU  A2001 ( 4.5A)
 0.56A 3d4sA-6cm4A:
35.5		 3d4sA-6cm4A:
11.24