SIMILAR PATTERNS OF AMINO ACIDS FOR 4K50_A_ACTA505

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.
1cit PROTEIN (ORPHAN
NUCLEAR RECEPTOR
NGFI-B)

(Rattus
norvegicus) 		PF00105
(zf-C4) 		3 CYH A 232
ASN A 238
LYS A 278
 ZN  A 398 ( 2.7A)
None
None
 1.41A 4k50A-1citA:
undetectable		 4k50A-1citA:
10.87
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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		3 CYH A 108
ASN A  55
LYS A  91
 None
 1.00A 4k50A-1d2kA:
0.0		 4k50A-1d2kA:
23.64
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.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)

(Desulfovibrio
desulfuricans) 		PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9) 		3 CYH A  76
ASN A  79
LYS A  34
 SF4  A   1 (-2.2A)
None
None
 1.15A 4k50A-1e08A:
0.0		 4k50A-1e08A:
21.28
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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		3 CYH A 230
ASN A 156
LYS A 232
 F3S  A 267 (-2.3A)
None
None
 1.37A 4k50A-1e3dA:
0.0		 4k50A-1e3dA:
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.
1e4e VANCOMYCIN/TEICOPLAN
IN A-TYPE RESISTANCE
PROTEIN VANA

(Enterococcus
faecium) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		3 CYH B 130
ASN B 307
LYS B 133
 None
MG  B 360 ( 2.4A)
ADP  B 350 (-2.9A)
 1.39A 4k50A-1e4eB:
0.0		 4k50A-1e4eB:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i0r CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01613
(Flavin_Reduct) 		3 CYH A  25
ASN A  54
LYS A  83
 None
None
FMN  A2000 (-4.4A)
 1.40A 4k50A-1i0rA:
undetectable		 4k50A-1i0rA:
15.15
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.
1kkh MEVALONATE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		3 CYH A  83
ASN A  71
LYS A  79
 None
 1.34A 4k50A-1kkhA:
0.2		 4k50A-1kkhA:
21.71
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		3 CYH A 229
ASN A 250
LYS A 226
 None
 1.07A 4k50A-1mz5A:
0.0		 4k50A-1mz5A:
20.38
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		3 CYH A 435
ASN A 355
LYS A 418
 None
 1.31A 4k50A-1nylA:
0.0		 4k50A-1nylA:
22.62
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.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		3 CYH A 286
ASN A  53
LYS A 284
 None
 1.37A 4k50A-1qwrA:
undetectable		 4k50A-1qwrA:
22.79
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.
1r5l PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)

(Homo sapiens) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		3 CYH A 256
ASN A 261
LYS A  97
 None
 0.72A 4k50A-1r5lA:
undetectable		 4k50A-1r5lA:
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.
1rkq HYPOTHETICAL PROTEIN
YIDA

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		3 CYH A  67
ASN A  39
LYS A  77
 None
 1.17A 4k50A-1rkqA:
undetectable		 4k50A-1rkqA:
20.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		3 CYH A  68
ASN A  71
LYS A 348
 None
 0.33A 4k50A-1tp7A:
55.5		 4k50A-1tp7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xr6 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		3 CYH A  68
ASN A  71
LYS A 348
 None
 0.38A 4k50A-1xr6A:
55.5		 4k50A-1xr6A:
85.22
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		3 CYH A 118
ASN A 274
LYS A 205
 None
None
OXD  A 543 ( 4.2A)
 0.95A 4k50A-1ytmA:
undetectable		 4k50A-1ytmA:
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.
2be7 ASPARTATE
CARBAMOYLTRANSFERASE
REGULATORY CHAIN

(Moritella
profunda) 		PF01948
(PyrI)
PF02748
(PyrI_C) 		3 CYH D 108
ASN D 112
LYS D 142
 ZN  D1108 (-2.2A)
None
None
 1.43A 4k50A-2be7D:
undetectable		 4k50A-2be7D:
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.
2cb5 PROTEIN (BLEOMYCIN
HYDROLASE)

(Homo sapiens) 		PF03051
(Peptidase_C1_2) 		3 CYH A 111
ASN A 182
LYS A 107
 None
 1.29A 4k50A-2cb5A:
undetectable		 4k50A-2cb5A:
21.96
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.
2dba SMOOTH MUSCLE CELL
ASSOCIATED
PROTEIN-1, ISOFORM 2

(Homo sapiens) 		PF07719
(TPR_2)
PF13432
(TPR_16) 		3 CYH A 125
ASN A 132
LYS A 100
 None
 1.11A 4k50A-2dbaA:
undetectable		 4k50A-2dbaA:
15.16
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.
2eta TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 2

(Rattus
norvegicus) 		PF12796
(Ank_2) 		3 CYH A 179
ASN A 133
LYS A 174
 None
 1.33A 4k50A-2etaA:
undetectable		 4k50A-2etaA:
21.18
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.
2g4b SPLICING FACTOR U2AF
65 KDA SUBUNIT

(Homo sapiens) 		PF00076
(RRM_1) 		3 CYH A 305
ASN A 289
LYS A 260
 None
 1.03A 4k50A-2g4bA:
undetectable		 4k50A-2g4bA:
16.59
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.
2l80 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 13

(Homo sapiens) 		PF02148
(zf-UBP) 		3 CYH A  44
ASN A  55
LYS A  46
 ZN  A 124 (-2.2A)
None
None
 1.20A 4k50A-2l80A:
undetectable		 4k50A-2l80A:
14.91
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		3 CYH X  98
ASN X  75
LYS X 100
 None
 1.17A 4k50A-2p3gX:
0.9		 4k50A-2p3gX:
23.85
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.
2pe6 SMALL
UBIQUITIN-RELATED
MODIFIER 1

(Homo sapiens) 		PF11976
(Rad60-SLD) 		3 CYH B  52
ASN B  60
LYS B  48
 None
 1.50A 4k50A-2pe6B:
undetectable		 4k50A-2pe6B:
12.24
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.
2qyz UNCHARACTERIZED
PROTEIN

(Clostridium
tetani) 		PF09643
(YopX) 		3 CYH A 116
ASN A  62
LYS A  73
 None
 1.46A 4k50A-2qyzA:
undetectable		 4k50A-2qyzA:
14.35
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.
2rf7 CYTOCHROME C-552

(Escherichia
coli) 		PF02335
(Cytochrom_C552) 		3 CYH A 314
ASN A 309
LYS A 322
 HEC  A   5 (-1.6A)
EDO  A 480 (-4.7A)
EDO  A 480 (-3.1A)
 1.44A 4k50A-2rf7A:
undetectable		 4k50A-2rf7A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rsm PROBABLE PEPTIDE
CHAIN RELEASE FACTOR
C12ORF65 HOMOLOG,
MITOCHONDRIAL

(Mus musculus) 		PF00472
(RF-1) 		3 CYH A  69
ASN A  64
LYS A  82
 None
 1.09A 4k50A-2rsmA:
undetectable		 4k50A-2rsmA:
13.61
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.
2zi8 PROBABLE
BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE BPHC

(Mycobacterium
tuberculosis) 		PF00903
(Glyoxalase) 		3 CYH A  68
ASN A  70
LYS A   1
 None
 1.28A 4k50A-2zi8A:
undetectable		 4k50A-2zi8A:
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		3 CYH A  49
ASN A 199
LYS A 169
 None
 1.40A 4k50A-3bn1A:
undetectable		 4k50A-3bn1A:
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.
3cxl N-CHIMERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		3 CYH A 268
ASN A 242
LYS A 264
 None
 1.45A 4k50A-3cxlA:
undetectable		 4k50A-3cxlA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		3 CYH B 244
ASN B  42
LYS B 231
 SF4  B 803 (-2.2A)
SF4  B 803 (-4.9A)
None
 1.38A 4k50A-3egwB:
1.8		 4k50A-3egwB:
23.05
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.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 CYH A 190
ASN A 227
LYS A  47
 None
 1.18A 4k50A-3fxgA:
0.0		 4k50A-3fxgA:
22.87
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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 CYH A 254
ASN A  38
LYS A 258
 None
 1.20A 4k50A-3g4fA:
1.3		 4k50A-3g4fA:
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		3 CYH A 231
ASN A 256
LYS A  61
 FAD  A1000 (-3.5A)
FAD  A1000 ( 4.4A)
None
 1.45A 4k50A-3gyxA:
undetectable		 4k50A-3gyxA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i12 D-ALANINE-D-ALANINE
LIGASE A

(Salmonella
enterica) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		3 CYH A 138
ASN A 317
LYS A 141
 None
None
ADP  A 365 (-2.8A)
 1.35A 4k50A-3i12A:
undetectable		 4k50A-3i12A:
20.89
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		3 CYH A  61
ASN A 107
LYS A  59
 None
 1.45A 4k50A-3javA:
undetectable		 4k50A-3javA:
9.80
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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		3 CYH A 405
ASN A 403
LYS A 437
 None
 1.38A 4k50A-3k5zA:
0.7		 4k50A-3k5zA:
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.
3kcc CATABOLITE GENE
ACTIVATOR

(Escherichia
coli) 		PF00027
(cNMP_binding)
PF00325
(Crp) 		3 CYH A  92
ASN A  65
LYS A  89
 None
 1.32A 4k50A-3kccA:
undetectable		 4k50A-3kccA:
19.48
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.
3l7x PUTATIVE HIT-LIKE
PROTEIN INVOLVED IN
CELL-CYCLE
REGULATION

(Streptococcus
mutans) 		PF01230
(HIT) 		3 CYH A   7
ASN A   2
LYS A  -1
 ZN  A 140 (-2.3A)
None
None
 1.31A 4k50A-3l7xA:
undetectable		 4k50A-3l7xA:
17.95
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.
3ldz SIGNAL TRANSDUCING
ADAPTER MOLECULE 1

(Homo sapiens) 		PF00790
(VHS) 		3 CYH A  46
ASN A   7
LYS A  35
 None
 1.44A 4k50A-3ldzA:
undetectable		 4k50A-3ldzA:
16.75
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.
3lzd DPH2

(Pyrococcus
horikoshii) 		PF01866
(Diphthamide_syn) 		3 CYH A  59
ASN A  55
LYS A 238
 SF4  A 343 (-2.3A)
None
None
 1.27A 4k50A-3lzdA:
undetectable		 4k50A-3lzdA:
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.
3rb9 DNA POLYMERASE III
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		3 CYH A 111
ASN A 113
LYS A  96
 None
 0.73A 4k50A-3rb9A:
undetectable		 4k50A-3rb9A:
22.15
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.
3rwx HYPOTHETICAL
BACTERIAL OUTER
MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF13944
(Calycin_like) 		3 CYH A 180
ASN A 160
LYS A 162
 MLY  A 181 ( 3.9A)
MLY  A 161 ( 3.9A)
MLY  A 161 (-2.8A)
 1.44A 4k50A-3rwxA:
undetectable		 4k50A-3rwxA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3se7 VANA

(-) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		3 CYH A 127
ASN A 304
LYS A 130
 None
MG  A 500 ( 3.3A)
ATP  A 400 (-3.0A)
 1.44A 4k50A-3se7A:
undetectable		 4k50A-3se7A:
21.34
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		3 CYH A 609
ASN A 606
LYS A 631
 None
 1.29A 4k50A-3sunA:
undetectable		 4k50A-3sunA:
19.42
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.
3tev GLYCOSYL HYROLASE,
FAMILY 3

(Deinococcus
radiodurans) 		PF00933
(Glyco_hydro_3) 		3 CYH A 173
ASN A 126
LYS A 175
 None
 1.11A 4k50A-3tevA:
undetectable		 4k50A-3tevA:
23.57
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.
3tyt HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN L

(Mus musculus) 		PF13893
(RRM_5) 		3 CYH A 578
ASN A 491
LYS A 576
 None
 1.06A 4k50A-3tytA:
undetectable		 4k50A-3tytA:
18.26
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		3 CYH A 361
ASN A 632
LYS A 409
 None
 1.38A 4k50A-4a2lA:
undetectable		 4k50A-4a2lA:
21.24
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.
4aif AH
RECEPTOR-INTERACTING
PROTEIN

(Homo sapiens) 		no annotation 3 CYH A 238
ASN A 236
LYS A 270
 None
 1.28A 4k50A-4aifA:
undetectable		 4k50A-4aifA:
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.
4apo AH
RECEPTOR-INTERACTING
PROTEIN

(Homo sapiens) 		no annotation 3 CYH A 238
ASN A 236
LYS A 270
 None
 1.22A 4k50A-4apoA:
undetectable		 4k50A-4apoA:
15.86
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.
4bil DNA MATURASE B

(Escherichia
virus T7) 		no annotation 3 CYH A  69
ASN A  97
LYS A  64
 None
 1.15A 4k50A-4bilA:
undetectable		 4k50A-4bilA:
21.76
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.
4c0h MRNA CLEAVAGE AND
POLYADENYLATION
FACTOR CLP1

(Saccharomyces
cerevisiae) 		PF06807
(Clp1)
PF16573
(CLP1_N)
PF16575
(CLP1_P) 		3 CYH A  87
ASN A  21
LYS A  43
 None
 1.43A 4k50A-4c0hA:
undetectable		 4k50A-4c0hA:
24.20
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.
4ci2 PROTEIN CEREBLON

(Gallus gallus) 		PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18) 		3 CYH B 320
ASN B 318
LYS B 336
 None
 1.42A 4k50A-4ci2B:
undetectable		 4k50A-4ci2B:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eme M18 ASPARTYL
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF02127
(Peptidase_M18) 		3 CYH A  27
ASN A  62
LYS A  31
 None
 1.39A 4k50A-4emeA:
undetectable		 4k50A-4emeA:
21.96
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		3 CYH A 202
ASN A 208
LYS A 199
 None
 1.47A 4k50A-4fnmA:
undetectable		 4k50A-4fnmA:
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Ustilago maydis) 		PF01336
(tRNA_anti-codon)
PF08646
(Rep_fac-A_C)
PF16900
(REPA_OB_2) 		3 CYH C 509
ASN C 500
LYS C 497
 ZN  C 701 (-2.3A)
None
None
 1.42A 4k50A-4gnxC:
undetectable		 4k50A-4gnxC:
21.18
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.
4jja HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		3 CYH A 302
ASN A 276
LYS A 300
 None
 0.75A 4k50A-4jjaA:
undetectable		 4k50A-4jjaA:
23.57
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.
4lyp EXO-BETA-1,4-MANNOSI
DASE

(Rhizomucor
miehei) 		no annotation 3 CYH A 256
ASN A 260
LYS A 234
 None
TRS  A 503 ( 3.4A)
None
 1.48A 4k50A-4lypA:
undetectable		 4k50A-4lypA:
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.
4mjk CRISPR PROTEIN

(Archaeoglobus
fulgidus) 		PF09704
(Cas_Cas5d) 		3 CYH A  76
ASN A 122
LYS A 127
 None
 1.21A 4k50A-4mjkA:
undetectable		 4k50A-4mjkA:
21.12
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.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		3 CYH A 288
ASN A 257
LYS A 305
 None
 1.49A 4k50A-4novA:
undetectable		 4k50A-4novA:
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		3 CYH A  36
ASN A 203
LYS A  34
 None
 1.49A 4k50A-4uwaA:
undetectable		 4k50A-4uwaA:
7.86
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3
ORIGIN RECOGNITION
COMPLEX SUBUNIT 6

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF07034
(ORC3_N)
no annotation 		3 CYH C 372
ASN C 370
LYS F 239
 None
 1.10A 4k50A-4xgcC:
undetectable		 4k50A-4xgcC:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ys6 PUTATIVE
SOLUTE-BINDING
COMPONENT OF ABC
TRANSPORTER

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		3 CYH A 313
ASN A 120
LYS A 271
 None
None
BGC  A 403 (-2.9A)
 1.28A 4k50A-4ys6A:
undetectable		 4k50A-4ys6A:
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.
5a1k ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		3 CYH A 165
ASN A 161
LYS A 143
 None
 1.36A 4k50A-5a1kA:
undetectable		 4k50A-5a1kA:
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.
5aul PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT ALPHA

(Homo sapiens) 		PF00017
(SH2) 		3 CYH A 670
ASN A 707
LYS A 668
 None
 1.39A 4k50A-5aulA:
undetectable		 4k50A-5aulA:
13.94
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.
5b0v MATRIX PROTEIN VP40

(Marburg
marburgvirus) 		PF07447
(VP40) 		3 CYH A  58
ASN A  56
LYS A 173
 None
 1.47A 4k50A-5b0vA:
undetectable		 4k50A-5b0vA:
21.46
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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		3 CYH A  92
ASN A 143
LYS A  94
 None
 0.88A 4k50A-5cd6A:
1.7		 4k50A-5cd6A:
22.44
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.
5che GLUTAMYL-TRNA
REDUCTASE-BINDING
PROTEIN,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF10615
(DUF2470) 		3 CYH C 104
ASN C 106
LYS C 162
 None
 1.25A 4k50A-5cheC:
undetectable		 4k50A-5cheC:
21.41
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.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		3 CYH A 132
ASN A 130
LYS A 134
 None
 0.92A 4k50A-5dztA:
undetectable		 4k50A-5dztA:
19.42
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.
5eog PROTEIN MAB-21-LIKE
1

(Homo sapiens) 		PF03281
(Mab-21) 		3 CYH A  20
ASN A  17
LYS A 249
 None
 1.15A 4k50A-5eogA:
undetectable		 4k50A-5eogA:
19.29
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.
5guh PIWI

(Bombyx mori) 		PF02170
(PAZ)
PF02171
(Piwi) 		3 CYH A 583
ASN A 581
LYS A 613
 None
 1.12A 4k50A-5guhA:
undetectable		 4k50A-5guhA:
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		3 CYH A 501
ASN A 511
LYS A 507
 None
 1.45A 4k50A-5gz4A:
undetectable		 4k50A-5gz4A:
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 CYH A 903
ASN A 959
LYS A 937
 None
 1.49A 4k50A-5jm0A:
undetectable		 4k50A-5jm0A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksw DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		3 CYH A  26
ASN A  72
LYS A  48
 FMN  A 401 (-3.6A)
FMN  A 401 (-3.1A)
FMN  A 401 (-3.3A)
 1.41A 4k50A-5kswA:
undetectable		 4k50A-5kswA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN

(Pseudomonas
protegens) 		no annotation 3 CYH B  34
ASN B  38
LYS B  57
 ZN  B 200 (-2.2A)
None
None
 1.30A 4k50A-5mg5B:
undetectable		 4k50A-5mg5B:
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.
5tnv AP ENDONUCLEASE,
FAMILY PROTEIN 2

(Mycolicibacterium
smegmatis) 		PF01261
(AP_endonuc_2) 		3 CYH A 290
ASN A  12
LYS A 234
 None
None
MG  A 401 ( 3.8A)
 1.48A 4k50A-5tnvA:
undetectable		 4k50A-5tnvA:
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.
5tpu PUTATIVE
UNCHARACTERIZED
PROTEIN

(Campylobacter
jejuni) 		PF05523
(FdtA) 		3 CYH A  81
ASN A 101
LYS A  79
 None
 1.50A 4k50A-5tpuA:
undetectable		 4k50A-5tpuA:
13.94
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.
5u70 POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a)
PF07885
(Ion_trans_2) 		3 CYH A 106
ASN A 197
LYS A 102
 None
 1.31A 4k50A-5u70A:
undetectable		 4k50A-5u70A:
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.
5v38 HCHA

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 CYH A1227
ASN A1168
LYS A1090
 None
 1.40A 4k50A-5v38A:
undetectable		 4k50A-5v38A:
21.18
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.
5v38 HCHA

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 CYH A1227
ASN A1219
LYS A1090
 None
 1.00A 4k50A-5v38A:
undetectable		 4k50A-5v38A:
21.18
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.
5wg6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,POLYCOMB
PROTEIN SUZ12
(E.C.2.1.1.43)
CHIMERA

(Homo sapiens) 		no annotation 3 CYH A 601
ASN A 567
LYS A 563
 ZN  A9006 (-2.2A)
None
None
 1.26A 4k50A-5wg6A:
2.6		 4k50A-5wg6A:
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.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum) 		no annotation 3 CYH A 111
ASN A 113
LYS A  96
 None
 1.12A 4k50A-6d47A:
undetectable		 4k50A-6d47A:
undetectable