SIMILAR PATTERNS OF AMINO ACIDS FOR 4EMA_A_BRLA601_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.
1b8g PROTEIN
(1-AMINOCYCLOPROPANE
-1-CARBOXYLATE
SYNTHASE)


(Malus domestica)
PF00155
(Aminotran_1_2)
3 PHE A 129
VAL A 268
ILE A 228
None
0.49A 4emaA-1b8gA:
0.0
4emaA-1b8gA:
21.60
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.
1by8 PROTEIN
(PROCATHEPSIN K)


(Homo sapiens)
PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29)
3 PHE A 127
VAL A 266
ILE A 279
None
0.55A 4emaA-1by8A:
0.0
4emaA-1by8A:
21.10
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.
1csm CHORISMATE MUTASE

(Saccharomyces
cerevisiae)
no annotation 3 PHE A  28
VAL A 238
ILE A 233
None
0.60A 4emaA-1csmA:
0.0
4emaA-1csmA:
24.67
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.
1ev1 ECHOVIRUS 1

(Enterovirus B)
PF00073
(Rhv)
3 PHE 2 226
VAL 2 110
ILE 2 241
None
0.55A 4emaA-1ev12:
undetectable
4emaA-1ev12:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma)
PF01593
(Amino_oxidase)
3 PHE A 112
VAL A  98
ILE A 102
None
0.58A 4emaA-1f8rA:
0.0
4emaA-1f8rA:
20.20
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.
1fr5 BACTERIOPHAGE FR
CAPSID


(Escherichia
virus MS2)
PF01819
(Levi_coat)
3 PHE A  25
VAL A  20
ILE A  33
None
0.62A 4emaA-1fr5A:
undetectable
4emaA-1fr5A:
16.97
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.
1gec GLYCYL ENDOPEPTIDASE

(Carica papaya)
PF00112
(Peptidase_C1)
3 PHE E  28
VAL E 164
ILE E 177
None
0.54A 4emaA-1gecE:
0.0
4emaA-1gecE:
21.58
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.
1he3 BILIVERDIN IX BETA
REDUCTASE


(Homo sapiens)
PF13460
(NAD_binding_10)
3 PHE A 184
VAL A   3
ILE A   6
None
0.54A 4emaA-1he3A:
0.0
4emaA-1he3A:
21.85
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.
1ipk BETA-CONGLYCININ,
BETA CHAIN


(Glycine max)
PF00190
(Cupin_1)
PF07883
(Cupin_2)
3 PHE A 138
VAL A  52
ILE A  30
None
0.56A 4emaA-1ipkA:
undetectable
4emaA-1ipkA:
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca)
PF00759
(Glyco_hydro_9)
PF00942
(CBM_3)
3 PHE A 578
VAL A 509
ILE A 514
None
0.59A 4emaA-1js4A:
0.3
4emaA-1js4A:
18.17
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.
1l0q SURFACE LAYER
PROTEIN


(Methanosarcina
mazei)
PF00801
(PKD)
PF10282
(Lactonase)
3 PHE A 294
VAL A  30
ILE A  28
None
0.50A 4emaA-1l0qA:
undetectable
4emaA-1l0qA:
18.30
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.
1lqa TAS PROTEIN

(Escherichia
coli)
PF00248
(Aldo_ket_red)
3 PHE A 184
VAL A 228
ILE A 204
None
0.45A 4emaA-1lqaA:
undetectable
4emaA-1lqaA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mqt POLYPROTEIN CAPSID
PROTEIN


(Enterovirus B)
PF00073
(Rhv)
3 PHE B 226
VAL B 110
ILE B 241
None
0.62A 4emaA-1mqtB:
undetectable
4emaA-1mqtB:
21.21
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.
1mro METHYL-COENZYME M
REDUCTASE


(Methanothermobacter
marburgensis)
PF02240
(MCR_gamma)
3 PHE C 142
VAL C  36
ILE C  31
None
0.47A 4emaA-1mroC:
undetectable
4emaA-1mroC:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1osc SIMILAR TO DIVALENT
CATION TOLERANT
PROTEIN CUTA


(Rattus
norvegicus)
PF03091
(CutA1)
3 PHE A  15
VAL A  31
ILE A  27
None
0.53A 4emaA-1oscA:
undetectable
4emaA-1oscA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pci PROCARICAIN

(Carica papaya)
PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29)
3 PHE A  28
VAL A 164
ILE A 177
None
0.57A 4emaA-1pciA:
undetectable
4emaA-1pciA:
18.77
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.
1ppo PROTEASE OMEGA

(Carica papaya)
PF00112
(Peptidase_C1)
3 PHE A  28
VAL A 164
ILE A 177
None
0.60A 4emaA-1ppoA:
undetectable
4emaA-1ppoA:
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.
1pvl LEUCOCIDIN

(Staphylococcus
aureus)
PF07968
(Leukocidin)
3 PHE A  40
VAL A 114
ILE A 122
None
0.60A 4emaA-1pvlA:
undetectable
4emaA-1pvlA:
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION


(Saccharomyces
cerevisiae)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 PHE A   7
VAL A 328
ILE A  10
None
0.57A 4emaA-1q1nA:
undetectable
4emaA-1q1nA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgc PROTEIN (VIRUS
CAPSID PROTEIN VP2)


(Foot-and-mouth
disease virus)
PF00073
(Rhv)
3 PHE 2 147
VAL 2 199
ILE 2 197
None
0.63A 4emaA-1qgc2:
undetectable
4emaA-1qgc2:
20.80
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.
1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN


(Wolinella
succinogenes)
PF13085
(Fer2_3)
PF13183
(Fer4_8)
3 PHE B  37
VAL B   9
ILE B   7
None
0.37A 4emaA-1qlbB:
undetectable
4emaA-1qlbB:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys)
PF01593
(Amino_oxidase)
3 PHE A 112
VAL A  98
ILE A 102
None
0.61A 4emaA-1tdkA:
undetectable
4emaA-1tdkA:
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis)
PF02595
(Gly_kinase)
3 PHE A 254
VAL A  88
ILE A 129
None
0.43A 4emaA-1to6A:
undetectable
4emaA-1to6A:
22.34
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.
1uww ENDOGLUCANASE

(Bacillus akibai)
PF03424
(CBM_17_28)
3 PHE A  76
VAL A 151
ILE A 149
None
0.57A 4emaA-1uwwA:
undetectable
4emaA-1uwwA:
20.91
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.
1v1p EXOTOXIN 1

(Staphylococcus
aureus)
PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB)
3 PHE A 147
VAL A 206
ILE A 204
None
0.53A 4emaA-1v1pA:
undetectable
4emaA-1v1pA:
23.26
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens)
PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2)
3 PHE A 537
VAL A 514
ILE A 511
None
0.61A 4emaA-1w8oA:
undetectable
4emaA-1w8oA:
18.47
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.
1wvh TENSIN

(Gallus gallus)
PF08416
(PTB)
3 PHE A1612
VAL A1733
ILE A1729
None
0.57A 4emaA-1wvhA:
undetectable
4emaA-1wvhA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE


(Sulfurisphaera
tokodaii)
PF00294
(PfkB)
3 PHE A 270
VAL A 222
ILE A 220
None
0.62A 4emaA-1wyeA:
undetectable
4emaA-1wyeA:
25.36
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.
1xk8 DIVALENT CATION
TOLERANT PROTEIN
CUTA


(Homo sapiens)
PF03091
(CutA1)
3 PHE A  49
VAL A  65
ILE A  61
None
0.53A 4emaA-1xk8A:
undetectable
4emaA-1xk8A:
20.65
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA


(Bacillus
subtilis)
PF00496
(SBP_bac_5)
3 PHE A 485
VAL A 380
ILE A 376
None
0.47A 4emaA-1xocA:
undetectable
4emaA-1xocA:
20.39
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE


(Escherichia
coli)
PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C)
3 PHE A 332
VAL A 312
ILE A 310
None
0.62A 4emaA-1xrcA:
undetectable
4emaA-1xrcA:
21.97
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.
1yal CHYMOPAPAIN

(Carica papaya)
PF00112
(Peptidase_C1)
3 PHE A  28
VAL A 164
ILE A 177
None
0.61A 4emaA-1yalA:
undetectable
4emaA-1yalA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yav HYPOTHETICAL PROTEIN
BSU14130


(Bacillus
subtilis)
no annotation 3 PHE A  73
VAL A  91
ILE A  86
None
0.62A 4emaA-1yavA:
undetectable
4emaA-1yavA:
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.
1yy3 S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE


(Bacillus
subtilis)
PF02547
(Queuosine_synth)
3 PHE A 201
VAL A 242
ILE A 249
None
0.52A 4emaA-1yy3A:
undetectable
4emaA-1yy3A:
23.42
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.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis)
PF13472
(Lipase_GDSL_2)
3 PHE A 162
VAL A 132
ILE A 128
None
0.56A 4emaA-1yzfA:
undetectable
4emaA-1yzfA:
25.36
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.
1z63 HELICASE OF THE
SNF2/RAD54 FAMILY


(Sulfolobus
solfataricus)
PF00176
(SNF2_N)
PF00271
(Helicase_C)
3 PHE A 514
VAL A 497
ILE A 537
None
0.63A 4emaA-1z63A:
undetectable
4emaA-1z63A:
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.
2a61 TRANSCRIPTIONAL
REGULATOR TM0710


(Thermotoga
maritima)
PF01047
(MarR)
3 PHE A  91
VAL A  65
ILE A  39
None
0.59A 4emaA-2a61A:
undetectable
4emaA-2a61A:
22.53
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens)
PF13088
(BNR_2)
3 PHE A 567
VAL A 481
ILE A 471
None
0.64A 4emaA-2bf6A:
undetectable
4emaA-2bf6A:
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE


(Klebsiella
pneumoniae)
PF03275
(GLF)
PF13450
(NAD_binding_8)
3 PHE A  13
VAL A 213
ILE A 211
None
0.59A 4emaA-2bi7A:
undetectable
4emaA-2bi7A:
20.11
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.
2c40 INOSINE-URIDINE
PREFERRING
NUCLEOSIDE HYDROLASE
FAMILY PROTEIN


(Bacillus
anthracis)
PF01156
(IU_nuc_hydro)
3 PHE A  55
VAL A  32
ILE A  60
None
0.50A 4emaA-2c40A:
undetectable
4emaA-2c40A:
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.
2c9k PESTICIDAL CRYSTAL
PROTEIN CRY4AA


(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
3 PHE A 117
VAL A 184
ILE A 140
None
0.60A 4emaA-2c9kA:
2.0
4emaA-2c9kA:
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.
2cjq RNA-DIRECTED RNA
POLYMERASE


(Pestivirus A)
PF00998
(RdRP_3)
3 PHE A 192
VAL A 445
ILE A 443
None
0.61A 4emaA-2cjqA:
undetectable
4emaA-2cjqA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2egw UPF0088 PROTEIN
AQ_165


(Aquifex
aeolicus)
PF04452
(Methyltrans_RNA)
3 PHE A 229
VAL A 182
ILE A  73
None
0.46A 4emaA-2egwA:
undetectable
4emaA-2egwA:
23.94
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.
2fex CONSERVED
HYPOTHETICAL PROTEIN


(Agrobacterium
fabrum)
PF01965
(DJ-1_PfpI)
3 PHE A 172
VAL A  68
ILE A   4
None
0.63A 4emaA-2fexA:
undetectable
4emaA-2fexA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2go0 REGENERATING
ISLET-DERIVED
PROTEIN 3 ALPHA


(Homo sapiens)
PF00059
(Lectin_C)
3 PHE A  49
VAL A  64
ILE A  66
None
0.49A 4emaA-2go0A:
undetectable
4emaA-2go0A:
20.31
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.
2hmc DIHYDRODIPICOLINATE
SYNTHASE


(Agrobacterium
fabrum)
PF00701
(DHDPS)
3 PHE A 163
VAL A  44
ILE A  10
None
0.63A 4emaA-2hmcA:
undetectable
4emaA-2hmcA:
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.
2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 1


(Mus musculus)
PF04099
(Sybindin)
3 PHE C 108
VAL C  82
ILE C  80
None
0.50A 4emaA-2j3tC:
undetectable
4emaA-2j3tC:
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.
2mca UNCHARACTERIZED
PROTEIN


([Eubacterium]
rectale)
PF17224
(DUF5300)
3 PHE A  84
VAL A  26
ILE A  24
None
0.63A 4emaA-2mcaA:
undetectable
4emaA-2mcaA:
17.18
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.
2ohf GTP-BINDING PROTEIN
9


(Homo sapiens)
PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C)
3 PHE A 121
VAL A 251
ILE A 247
None
0.61A 4emaA-2ohfA:
undetectable
4emaA-2ohfA:
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens)
PF01979
(Amidohydro_1)
3 PHE A 442
VAL A  72
ILE A  70
None
0.57A 4emaA-2oodA:
undetectable
4emaA-2oodA:
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.
2phl PHASEOLIN

(Phaseolus
vulgaris)
PF00190
(Cupin_1)
3 PHE A 146
VAL A  55
ILE A  33
None
0.55A 4emaA-2phlA:
undetectable
4emaA-2phlA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qej SUPERANTIGEN-LIKE
MOLECULE 7


(Staphylococcus
aureus)
PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB)
3 PHE C 137
VAL C 196
ILE C 194
None
0.57A 4emaA-2qejC:
undetectable
4emaA-2qejC:
24.00
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA


(Desulfovibrio
vulgaris)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
3 PHE B 365
VAL B 204
ILE B 206
None
0.53A 4emaA-2v4jB:
undetectable
4emaA-2v4jB:
20.74
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.
2v5t NEURAL CELL ADHESION
MOLECULE 2


(Homo sapiens)
PF07679
(I-set)
3 PHE A 295
VAL A 268
ILE A 271
None
0.61A 4emaA-2v5tA:
undetectable
4emaA-2v5tA:
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.
2vea PHYTOCHROME-LIKE
PROTEIN CPH1


(Synechocystis
sp. PCC 6803)
PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2)
3 PHE A 136
VAL A 173
ILE A 287
None
0.63A 4emaA-2veaA:
undetectable
4emaA-2veaA:
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A


(Deinococcus
radiodurans)
PF00005
(ABC_tran)
3 PHE A  54
VAL A  16
ILE A  88
None
0.65A 4emaA-2vf8A:
undetectable
4emaA-2vf8A:
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.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG


(Saccharomyces
cerevisiae)
PF00344
(SecY)
PF10559
(Plug_translocon)
3 PHE A  38
VAL A 187
ILE A 183
None
0.62A 4emaA-2ww9A:
undetectable
4emaA-2ww9A:
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.
2yzq PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780


(Pyrococcus
horikoshii)
PF00571
(CBS)
3 PHE A 271
VAL A 240
ILE A 128
None
0.64A 4emaA-2yzqA:
undetectable
4emaA-2yzqA:
23.81
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.
2z9v ASPARTATE
AMINOTRANSFERASE


(Mesorhizobium
loti)
PF00266
(Aminotran_5)
3 PHE A  99
VAL A 126
ILE A 121
None
0.54A 4emaA-2z9vA:
undetectable
4emaA-2z9vA:
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.
2zfh CUTA

(Homo sapiens)
PF03091
(CutA1)
3 PHE A  72
VAL A  88
ILE A  84
None
0.49A 4emaA-2zfhA:
undetectable
4emaA-2zfhA:
21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
3 PHE A 282
VAL A 339
ILE A 341
MC5  A   1 (-4.4A)
MC5  A   1 (-4.6A)
MC5  A   1 (-4.5A)
0.38A 4emaA-3b0qA:
40.9
4emaA-3b0qA:
98.54
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.
3bbh RIBOSOME BIOGENESIS
PROTEIN NEP1-LIKE


(Methanocaldococcus
jannaschii)
PF03587
(EMG1)
3 PHE A 159
VAL A 176
ILE A 171
None
0.61A 4emaA-3bbhA:
undetectable
4emaA-3bbhA:
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.
3bfx SULFOTRANSFERASE 1C2

(Homo sapiens)
PF00685
(Sulfotransfer_1)
3 PHE A 126
VAL A  59
ILE A  55
None
0.53A 4emaA-3bfxA:
undetectable
4emaA-3bfxA:
22.29
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
3 PHE A 133
VAL A 120
ILE A 118
None
0.54A 4emaA-3bgaA:
undetectable
4emaA-3bgaA:
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.
3biw NEUROLIGIN-1

(Rattus
norvegicus)
PF00135
(COesterase)
3 PHE A 438
VAL A 426
ILE A 419
None
0.36A 4emaA-3biwA:
undetectable
4emaA-3biwA:
18.92
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.
3brk GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE


(Agrobacterium
tumefaciens)
PF00483
(NTP_transferase)
3 PHE X  49
VAL X  64
ILE X  62
None
0.64A 4emaA-3brkX:
undetectable
4emaA-3brkX:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7o ENDO-1,4-BETA-XYLANA
SE


(Bacillus
subtilis)
PF03422
(CBM_6)
PF04616
(Glyco_hydro_43)
3 PHE A 465
VAL A 386
ILE A 389
None
0.55A 4emaA-3c7oA:
undetectable
4emaA-3c7oA:
20.71
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1


(Homo sapiens)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2)
3 PHE A 494
VAL A 539
ILE A 519
None
0.62A 4emaA-3ctzA:
0.0
4emaA-3ctzA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6l PUTATIVE HYDROLASE

(Campylobacter
jejuni)
PF03061
(4HBT)
3 PHE A  25
VAL A  89
ILE A  69
None
0.48A 4emaA-3d6lA:
undetectable
4emaA-3d6lA:
18.38
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
3 PHE A 109
VAL A  96
ILE A  94
None
0.58A 4emaA-3decA:
undetectable
4emaA-3decA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dmm T-CELL SURFACE
GLYCOPROTEIN CD8
BETA CHAIN


(Mus musculus)
PF07686
(V-set)
3 PHE D  93
VAL D  86
ILE D  83
None
0.53A 4emaA-3dmmD:
undetectable
4emaA-3dmmD:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
PF00105
(zf-C4)
3 PHE D 282
VAL D 339
ILE D 341
None
None
PLB  D 701 (-3.6A)
0.18A 4emaA-3dzuD:
37.4
4emaA-3dzuD:
90.46
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.
3fot 15-O-ACETYLTRANSFERA
SE


(Fusarium
sporotrichioides)
PF07428
(Tri3)
3 PHE A 197
VAL A 462
ILE A 465
None
0.65A 4emaA-3fotA:
undetectable
4emaA-3fotA:
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.
3izk CHAPERONIN

(Methanococcus
maripaludis)
PF00118
(Cpn60_TCP1)
3 PHE A 448
VAL A 431
ILE A 427
None
0.45A 4emaA-3izkA:
1.1
4emaA-3izkA:
19.96
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.
3j2j PROTEIN VP2

(Enterovirus B)
PF00073
(Rhv)
3 PHE C 217
VAL C 101
ILE C 232
None
0.59A 4emaA-3j2jC:
undetectable
4emaA-3j2jC:
20.55
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR


(Homo sapiens)
PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
3 PHE A2377
VAL A2205
ILE A2222
None
0.64A 4emaA-3jbzA:
undetectable
4emaA-3jbzA:
14.03
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.
3k49 MRNA-BINDING PROTEIN
PUF3


(Saccharomyces
cerevisiae)
PF00806
(PUF)
3 PHE A 722
VAL A 739
ILE A 757
None
0.61A 4emaA-3k49A:
undetectable
4emaA-3k49A:
21.74
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.
3kx2 PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43


(Saccharomyces
cerevisiae)
no annotation 3 PHE B 657
VAL B 546
ILE B 542
None
0.62A 4emaA-3kx2B:
undetectable
4emaA-3kx2B:
18.88
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.
3l8m PROBABLE THIAMINE
PYROPHOSPHOKINASE


(Staphylococcus
saprophyticus)
PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding)
3 PHE A 136
VAL A  86
ILE A  82
None
0.62A 4emaA-3l8mA:
undetectable
4emaA-3l8mA:
22.30
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.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE


(Anopheles
gambiae)
PF00294
(PfkB)
3 PHE A 168
VAL A 215
ILE A 211
B4P  A 349 (-3.4A)
None
None
0.54A 4emaA-3looA:
undetectable
4emaA-3looA:
23.75
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.
3m52 ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 17


(Homo sapiens)
PF00651
(BTB)
3 PHE A  35
VAL A  95
ILE A  64
None
0.61A 4emaA-3m52A:
undetectable
4emaA-3m52A:
20.65
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.
3n29 CARBOXYNORSPERMIDINE
DECARBOXYLASE


(Campylobacter
jejuni)
PF00278
(Orn_DAP_Arg_deC)
3 PHE A 304
VAL A 249
ILE A 334
None
0.64A 4emaA-3n29A:
undetectable
4emaA-3n29A:
24.58
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.
3n2l OROTATE
PHOSPHORIBOSYLTRANSF
ERASE


(Vibrio cholerae)
PF00156
(Pribosyltran)
3 PHE A  35
VAL A 183
ILE A  10
None
0.61A 4emaA-3n2lA:
undetectable
4emaA-3n2lA:
22.71
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.
3nap CAPSID PROTEIN

(Triatoma virus)
PF00073
(Rhv)
3 PHE C 141
VAL C  80
ILE C 157
None
0.57A 4emaA-3napC:
undetectable
4emaA-3napC:
22.70
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.
3ngx BIFUNCTIONAL PROTEIN
FOLD


(Thermoplasma
acidophilum)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
3 PHE A 206
VAL A 243
ILE A 246
None
0.60A 4emaA-3ngxA:
undetectable
4emaA-3ngxA:
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.
3nyi FAT ACID-BINDING
PROTEIN


(Eubacterium
ventriosum)
PF02645
(DegV)
3 PHE A 162
VAL A 267
ILE A 269
None
None
STE  A 301 (-4.5A)
0.64A 4emaA-3nyiA:
undetectable
4emaA-3nyiA:
24.52
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.
3obi FORMYLTETRAHYDROFOLA
TE DEFORMYLASE


(Rhodopseudomonas
palustris)
PF00551
(Formyl_trans_N)
3 PHE A 133
VAL A  95
ILE A 121
None
0.56A 4emaA-3obiA:
undetectable
4emaA-3obiA:
21.31
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.
3oc4 OXIDOREDUCTASE,
PYRIDINE
NUCLEOTIDE-DISULFIDE
FAMILY


(Enterococcus
faecalis)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
3 PHE A  10
VAL A 281
ILE A 279
FAD  A 500 (-4.6A)
None
None
0.60A 4emaA-3oc4A:
undetectable
4emaA-3oc4A:
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.
3or2 SULFITE REDCUTASE
SUBUNIT BETA


(Desulfovibrio
gigas)
PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
3 PHE B 365
VAL B 204
ILE B 206
None
0.55A 4emaA-3or2B:
undetectable
4emaA-3or2B:
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.
3orj SUGAR-BINDING
PROTEIN


(Bacteroides
ovatus)
no annotation 3 PHE A 331
VAL A 372
ILE A 320
None
0.63A 4emaA-3orjA:
undetectable
4emaA-3orjA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ovz CATHEPSIN K

(Homo sapiens)
PF00112
(Peptidase_C1)
3 PHE A  28
VAL A 167
ILE A 180
None
0.56A 4emaA-3ovzA:
undetectable
4emaA-3ovzA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron)
PF01494
(FAD_binding_3)
3 PHE A 343
VAL A  19
ILE A  40
None
0.60A 4emaA-3p9uA:
undetectable
4emaA-3p9uA:
23.46
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.
3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING


(Geobacter
metallireducens)
PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11)
3 PHE A  62
VAL A 109
ILE A 105
None
0.62A 4emaA-3pefA:
undetectable
4emaA-3pefA:
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.
3pnr FALCIPAIN 2

(Plasmodium
falciparum)
PF00112
(Peptidase_C1)
3 PHE A  45
VAL A 179
ILE A 202
None
0.61A 4emaA-3pnrA:
undetectable
4emaA-3pnrA:
20.56
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.
3riq TAILSPIKE PROTEIN

(Salmonella
virus 9NA)
PF09251
(PhageP22-tail)
3 PHE A 478
VAL A 517
ILE A 515
None
0.59A 4emaA-3riqA:
undetectable
4emaA-3riqA:
18.21
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.
3rza TRIPEPTIDASE

(Staphylococcus
aureus)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
3 PHE A 332
VAL A 300
ILE A 294
None
0.60A 4emaA-3rzaA:
undetectable
4emaA-3rzaA:
22.96
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.
3s7i ALLERGEN ARA H 1,
CLONE P41B


(Arachis
hypogaea)
PF00190
(Cupin_1)
3 PHE A 301
VAL A 215
ILE A 193
None
0.54A 4emaA-3s7iA:
undetectable
4emaA-3s7iA:
21.00
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.
3tnx PAPAIN

(Carica papaya)
PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29)
3 PHE A 135
VAL A 271
ILE A 280
None
0.60A 4emaA-3tnxA:
undetectable
4emaA-3tnxA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ury EXOTOXIN

(Staphylococcus
aureus)
PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB)
3 PHE A 247
VAL A 305
ILE A 303
None
0.58A 4emaA-3uryA:
undetectable
4emaA-3uryA:
23.02
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.
3von UBIQUITIN
THIOESTERASE OTUB1


(Homo sapiens)
PF10275
(Peptidase_C65)
3 PHE A  98
VAL A 229
ILE A 231
None
0.64A 4emaA-3vonA:
undetectable
4emaA-3vonA:
23.86