SIMILAR PATTERNS OF AMINO ACIDS FOR 4A99_D_MIYD392_1

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.
1eq9 CHYMOTRYPSIN

(Solenopsis
invicta) 		PF00089
(Trypsin) 		4 HIS A  57
SER A 195
SER A 214
VAL A 213
 PMS  A1201 ( 4.6A)
PMS  A1201 (-1.5A)
None
None
 1.38A 4a99D-1eq9A:
undetectable		 4a99D-1eq9A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		4 HIS A  46
SER A 114
SER A  50
VAL A 146
 CU  A 502 (-3.2A)
None
None
None
 1.10A 4a99D-1eqwA:
undetectable		 4a99D-1eqwA:
17.48
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.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 112
GLN A  71
SER A  46
VAL A  45
 None
 1.21A 4a99D-1fepA:
0.1		 4a99D-1fepA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gu1 3-DEHYDROQUINATE
DEHYDRATASE

(Streptomyces
coelicolor) 		PF01220
(DHquinase_II) 		4 HIS A  85
SER A  84
SER A 123
VAL A 122
 FA1  A 201 (-4.0A)
FA1  A 201 ( 4.5A)
None
None
 1.49A 4a99D-1gu1A:
undetectable		 4a99D-1gu1A:
16.00
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.
1igj IGG2A-KAPPA 26-10
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 HIS B  41
SER B  87
SER B  84
VAL B 111
 None
 1.45A 4a99D-1igjB:
undetectable		 4a99D-1igjB:
17.51
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 HIS A 771
SER A 718
SER A 486
VAL A 485
 None
 1.24A 4a99D-1j0nA:
undetectable		 4a99D-1j0nA:
19.11
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.
1j83 ENDO-1,4-BETA
GLUCANASE ENGF

(Clostridium
cellulovorans) 		PF03424
(CBM_17_28) 		4 HIS A1133
SER A1130
SER A1181
VAL A1183
 None
 1.46A 4a99D-1j83A:
undetectable		 4a99D-1j83A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mt0 HEMOLYSIN SECRETION
ATP-BINDING PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran) 		4 HIS A 662
GLN A 705
SER A 665
VAL A 667
 None
 1.03A 4a99D-1mt0A:
1.0		 4a99D-1mt0A:
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.
1nmy SIMILAR TO
THYMIDYLATE KINASE
(DTMP KINASE)

(Homo sapiens) 		PF02223
(Thymidylate_kin) 		4 HIS A 188
GLN A  22
SER A  23
VAL A  94
 None
 1.42A 4a99D-1nmyA:
0.0		 4a99D-1nmyA:
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.
1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 HIS A 330
SER A 298
GLN A 357
VAL A 326
 None
 1.16A 4a99D-1nugA:
undetectable		 4a99D-1nugA:
21.66
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.
1p1v SUPEROXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		4 HIS A 110
SER A 105
SER A 102
VAL A  29
 None
 1.49A 4a99D-1p1vA:
undetectable		 4a99D-1p1vA:
16.67
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		4 HIS A 167
SER A 170
SER A 186
VAL A 185
 None
 1.35A 4a99D-1p9hA:
undetectable		 4a99D-1p9hA:
22.06
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		4 HIS A 167
SER A 184
SER A 186
VAL A 185
 None
 1.31A 4a99D-1p9hA:
undetectable		 4a99D-1p9hA:
22.06
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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		4 HIS A  52
SER A  34
SER A  57
VAL A  22
 None
 1.35A 4a99D-1r8gA:
undetectable		 4a99D-1r8gA:
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.
1umg 385AA LONG CONSERVED
HYPOTHETICAL PROTEIN

(Sulfurisphaera
tokodaii) 		PF01950
(FBPase_3) 		4 HIS A  19
SER A  15
GLN A  95
VAL A  22
 MG  A 404 ( 3.3A)
MG  A 404 ( 4.3A)
MG  A 404 ( 2.7A)
None
 1.34A 4a99D-1umgA:
undetectable		 4a99D-1umgA:
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.
1v6m GALACTOSE-BINDING
LECTIN

(Arachis
hypogaea) 		PF00139
(Lectin_legB) 		4 SER A 155
GLN A 216
SER A 157
VAL A 156
 None
 1.38A 4a99D-1v6mA:
undetectable		 4a99D-1v6mA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		4 HIS A 238
SER A 236
GLN A 241
VAL A 232
 None
 1.09A 4a99D-1xvyA:
undetectable		 4a99D-1xvyA:
21.53
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.
1z9n SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		4 HIS A  72
SER A 147
SER A  76
VAL A 175
 CU  A 200 (-3.2A)
None
None
None
 1.19A 4a99D-1z9nA:
undetectable		 4a99D-1z9nA:
18.93
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.
1z9p SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		4 HIS A  72
SER A 147
SER A  76
VAL A 175
 CU  A 200 (-3.2A)
None
None
None
 1.15A 4a99D-1z9pA:
undetectable		 4a99D-1z9pA:
17.60
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.
2akl PHNA-LIKE PROTEIN
PA0128

(Pseudomonas
aeruginosa) 		PF03831
(PhnA)
PF08274
(PhnA_Zn_Ribbon) 		4 HIS A  92
SER A 108
SER A  50
VAL A 111
 None
 1.31A 4a99D-2aklA:
undetectable		 4a99D-2aklA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		4 HIS A  62
SER A 137
SER A  66
VAL A 165
 CU  A 402 ( 3.4A)
None
None
None
 1.22A 4a99D-2apsA:
undetectable		 4a99D-2apsA:
19.30
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.
2aqt SUPEROXIDE DISMUTASE
[CU-ZN]

(Neisseria
meningitidis) 		no annotation 4 HIS C  81
SER C 156
SER C  85
VAL C 184
 CU1  C 200 (-3.3A)
None
None
None
 1.13A 4a99D-2aqtC:
undetectable		 4a99D-2aqtC:
18.48
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 HIS A 522
GLN A 520
SER A 506
VAL A 463
 None
 1.38A 4a99D-2b5mA:
undetectable		 4a99D-2b5mA:
16.81
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.
2bdr UREIDOGLYCOLATE
HYDROLASE

(Pseudomonas
putida) 		PF04115
(Ureidogly_lyase) 		4 HIS A 153
GLN A 159
SER A 104
VAL A 107
 None
 1.46A 4a99D-2bdrA:
undetectable		 4a99D-2bdrA:
16.83
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 HIS A 277
SER A 278
SER A 319
VAL A 164
 None
 1.42A 4a99D-2dwsA:
undetectable		 4a99D-2dwsA:
21.26
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.
2p22 SUPPRESSOR PROTEIN
STP22 OF
TEMPERATURE-SENSITIV
E ALPHA-FACTOR
RECEPTOR AND
ARGININE PERMEASE

(Saccharomyces
cerevisiae) 		PF09454
(Vps23_core) 		4 SER A 307
GLN A 302
SER A 304
VAL A 309
 None
 1.05A 4a99D-2p22A:
undetectable		 4a99D-2p22A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo sapiens) 		PF00481
(PP2C) 		4 HIS A 169
SER A 199
SER A 221
VAL A 220
 None
 1.36A 4a99D-2p8eA:
undetectable		 4a99D-2p8eA:
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.
2pcp IMMUNOGLOBULIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 HIS B  41
SER B  87
SER B  84
VAL B 111
 None
 1.33A 4a99D-2pcpB:
undetectable		 4a99D-2pcpB:
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.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		4 HIS A 291
SER A 331
SER A 333
VAL A 360
 None
 1.50A 4a99D-2pyhA:
undetectable		 4a99D-2pyhA:
22.05
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.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		4 HIS A 128
SER A 167
SER A 169
VAL A 196
 None
None
S3P  A 701 (-2.6A)
None
 1.33A 4a99D-2qfqA:
undetectable		 4a99D-2qfqA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE

(Homo sapiens) 		PF00089
(Trypsin) 		4 HIS U  99
SER U 214
SER U 195
VAL U 213
 4PG  U 300 (-4.1A)
None
4PG  U 300 (-3.5A)
None
 1.42A 4a99D-2r2wU:
undetectable		 4a99D-2r2wU:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 HIS A 215
SER A 183
SER A 173
VAL A 172
 None
 1.38A 4a99D-2rdyA:
undetectable		 4a99D-2rdyA:
18.67
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.
2vmj DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
xylosoxidans) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 HIS A 231
SER A 232
SER A 273
VAL A 127
 None
 1.45A 4a99D-2vmjA:
undetectable		 4a99D-2vmjA:
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.
2wbp L-ARGININE
BETA-HYDROXYLASE

(Streptomyces
vinaceus) 		PF02668
(TauD) 		4 SER A 158
GLN A 138
SER A 224
VAL A 157
 ZZU  A1359 (-2.9A)
None
ZZU  A1359 (-3.2A)
ZZU  A1359 (-3.1A)
 1.39A 4a99D-2wbpA:
undetectable		 4a99D-2wbpA:
20.94
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 HIS A 194
SER A 153
SER A 196
VAL A 197
 None
 1.49A 4a99D-2x7jA:
undetectable		 4a99D-2x7jA:
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 4 HIS A  33
SER A  36
SER A  40
VAL A  39
 None
 1.00A 4a99D-2yr5A:
10.4		 4a99D-2yr5A:
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 HIS A 378
GLN A 340
SER A 323
VAL A 770
 None
 1.36A 4a99D-3actA:
undetectable		 4a99D-3actA:
20.24
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.
3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE

(Yersinia
pseudotuberculosis) 		PF01041
(DegT_DnrJ_EryC1) 		4 SER A 355
GLN A 407
SER A 358
VAL A 357
 BEN  A   1 (-4.9A)
None
None
BEN  A   1 ( 4.3A)
 1.41A 4a99D-3bb8A:
undetectable		 4a99D-3bb8A:
21.48
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.
3bcy PROTEIN YER067W

(Saccharomyces
cerevisiae) 		PF10843
(RGI1) 		4 HIS A 144
SER A  75
SER A  77
VAL A  81
 None
 1.19A 4a99D-3bcyA:
undetectable		 4a99D-3bcyA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bg2 DGTP
TRIPHOSPHOHYDROLASE

(Leeuwenhoekiella
blandensis) 		PF01966
(HD) 		4 HIS A  63
GLN A  52
SER A  69
VAL A  72
 None
 1.49A 4a99D-3bg2A:
1.3		 4a99D-3bg2A:
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.
3cvj PUTATIVE
PHOSPHOHEPTOSE
ISOMERASE

(Bacillus
halodurans) 		PF13580
(SIS_2) 		4 HIS A  32
SER A  35
GLN A 213
VAL A  38
 None
 1.29A 4a99D-3cvjA:
2.2		 4a99D-3cvjA:
21.39
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.
3dad FH1/FH2
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 4 HIS A 158
SER A 159
SER A 117
VAL A 120
 None
 1.35A 4a99D-3dadA:
undetectable		 4a99D-3dadA:
19.80
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.
3eh0 UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF04613
(LpxD)
PF14602
(Hexapep_2) 		4 HIS A 162
SER A 146
SER A 126
VAL A 128
 None
 1.37A 4a99D-3eh0A:
undetectable		 4a99D-3eh0A:
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 HIS A 193
GLN A 190
SER A 191
VAL A 200
 None
 1.35A 4a99D-3gcwA:
undetectable		 4a99D-3gcwA:
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.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		4 HIS A  33
SER A 184
GLN A 297
SER A 238
 None
 1.15A 4a99D-3iacA:
undetectable		 4a99D-3iacA:
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.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		4 HIS X  83
SER X 375
SER X 467
VAL X 466
 SO4  X   1 (-4.2A)
None
None
None
 1.35A 4a99D-3ighX:
undetectable		 4a99D-3ighX:
22.80
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.
3l0d GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bartonella
henselae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 HIS A 180
SER A 232
SER A 210
VAL A 231
 None
 1.28A 4a99D-3l0dA:
4.2		 4a99D-3l0dA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m99 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Saccharomyces
cerevisiae) 		PF00443
(UCH)
PF02148
(zf-UBP) 		4 SER A 137
GLN A 213
SER A 445
VAL A 447
 None
 1.45A 4a99D-3m99A:
undetectable		 4a99D-3m99A:
20.46
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.
3nr8 PHOSPHATIDYLINOSITOL
-3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		no annotation 4 HIS B 718
SER B 716
SER B 435
VAL B 436
 None
 1.32A 4a99D-3nr8B:
undetectable		 4a99D-3nr8B:
23.10
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.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 HIS A 128
SER A 168
SER A 170
VAL A 197
 None
None
S3P  A 427 ( 2.6A)
PO4  A 438 (-4.6A)
 1.30A 4a99D-3nvsA:
undetectable		 4a99D-3nvsA:
24.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		4 HIS A  63
SER A  66
SER A 326
VAL A 329
 None
 0.43A 4a99D-3p9uA:
58.1		 4a99D-3p9uA:
94.47
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.
3rhd LACTALDEHYDE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00171
(Aldedh) 		4 HIS A 396
SER A 425
SER A 277
VAL A 278
 None
 1.36A 4a99D-3rhdA:
2.4		 4a99D-3rhdA:
22.84
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.
3t57 UDP-N-ACETYLGLUCOSAM
INE
O-ACYLTRANSFERASE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		4 HIS A 177
SER A 153
GLN A 128
VAL A 122
 None
 0.88A 4a99D-3t57A:
undetectable		 4a99D-3t57A:
23.04
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 HIS A 418
SER A 374
SER A 416
VAL A 378
 None
 1.21A 4a99D-3ttfA:
undetectable		 4a99D-3ttfA:
19.94
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.
3v4v INTEGRIN BETA-7

(Homo sapiens) 		PF00362
(Integrin_beta) 		4 HIS B 211
SER B 176
GLN B 205
VAL B 178
 None
 1.42A 4a99D-3v4vB:
undetectable		 4a99D-3v4vB:
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.
4a0x TRANSCRIPTION FACTOR
FAPR

(Staphylococcus
aureus) 		PF03061
(4HBT) 		4 HIS A  30
SER A  33
SER A  39
VAL A  38
 ZN  A 205 (-3.6A)
None
None
None
 1.47A 4a99D-4a0xA:
undetectable		 4a99D-4a0xA:
19.90
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.
4bfi OX-2 MEMBRANE
GLYCOPROTEIN

(Mus musculus) 		PF00047
(ig) 		4 HIS B 116
SER B 131
SER B 164
VAL B 165
 None
 1.27A 4a99D-4bfiB:
undetectable		 4a99D-4bfiB:
21.39
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.
4cs5 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Litopenaeus
vannamei) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 HIS A 125
GLN A  36
SER A  49
VAL A  48
 None
 1.18A 4a99D-4cs5A:
undetectable		 4a99D-4cs5A:
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.
4d1e ALPHA-ACTININ-2

(Homo sapiens) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		4 HIS A 633
GLN A 552
SER A 547
VAL A 545
 None
 1.41A 4a99D-4d1eA:
undetectable		 4a99D-4d1eA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gbf PHIKZ131

(Pseudomonas
virus phiKZ) 		no annotation 4 HIS A 533
SER A 504
SER A 458
VAL A 469
 None
 1.26A 4a99D-4gbfA:
undetectable		 4a99D-4gbfA:
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.
4gxt A CONSERVED
FUNCTIONALLY UNKNOWN
PROTEIN

(Anaerococcus
prevotii) 		PF12710
(HAD) 		4 HIS A 338
SER A 377
SER A 374
VAL A 372
 None
 1.41A 4a99D-4gxtA:
undetectable		 4a99D-4gxtA:
22.91
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 120
SER A 309
GLN A 347
VAL A 131
 None
 1.35A 4a99D-4h2hA:
undetectable		 4a99D-4h2hA:
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.
4kt6 NICOTINE ADENINE
DINUCLEOTIDE
GLYCOHYDROLASE

(Streptococcus
pyogenes) 		PF07461
(NADase_NGA) 		4 HIS A 431
SER A 398
SER A 291
VAL A 399
 None
 1.41A 4a99D-4kt6A:
undetectable		 4a99D-4kt6A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 HIS A 759
SER A 528
GLN A 811
VAL A 508
 None
 1.29A 4a99D-4nh0A:
undetectable		 4a99D-4nh0A:
16.61
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.
4o6d NS1

(West Nile virus) 		PF00948
(Flavi_NS1) 		4 HIS B  65
SER B  59
SER B  61
VAL B  60
 None
 1.46A 4a99D-4o6dB:
undetectable		 4a99D-4o6dB:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		4 HIS C 826
SER C 902
SER C 904
VAL C 901
 None
None
2US  C1101 (-3.4A)
None
 1.47A 4a99D-4oqaC:
undetectable		 4a99D-4oqaC:
25.05
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 HIS B 193
GLN B 190
SER B 191
VAL B 200
 None
 1.24A 4a99D-4ov6B:
2.8		 4a99D-4ov6B:
21.01
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.
4uyr FLOCCULATION PROTEIN
FLO11

(Saccharomyces
cerevisiae) 		PF10182
(Flo11) 		4 HIS A   7
SER A  69
SER A  67
VAL A  68
 PO4  A1210 ( 4.0A)
MG  A1209 (-3.0A)
None
None
 1.47A 4a99D-4uyrA:
undetectable		 4a99D-4uyrA:
25.28
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.
4y67 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE,
APICOPLAST

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 HIS A 392
GLN A 275
SER A 269
VAL A 332
 None
None
RC5  A 501 (-3.3A)
None
 1.31A 4a99D-4y67A:
1.4		 4a99D-4y67A:
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 HIS C 522
SER C 333
GLN C 520
VAL C  17
 None
 1.12A 4a99D-4yfaC:
undetectable		 4a99D-4yfaC:
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.
4ztb PROTEASE NSP2

(Chikungunya
virus) 		PF01707
(Peptidase_C9) 		4 HIS A 146
SER A 288
GLN A 227
VAL A 286
 None
 1.34A 4a99D-4ztbA:
undetectable		 4a99D-4ztbA:
22.75
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		4 HIS A  36
SER A  30
SER A 103
VAL A 104
 ZN  A1320 ( 3.4A)
None
None
EDO  A1316 (-4.8A)
 1.44A 4a99D-5ahoA:
undetectable		 4a99D-5ahoA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5q MEMBRANE THIOL
PROTEASE

(Chlamydia
trachomatis) 		PF02902
(Peptidase_C48) 		4 HIS B 275
GLN B 338
SER B 343
VAL B 271
 None
 1.30A 4a99D-5b5qB:
undetectable		 4a99D-5b5qB:
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 HIS A 724
SER A 535
GLN A 722
VAL A 219
 None
 1.13A 4a99D-5c9iA:
undetectable		 4a99D-5c9iA:
20.43
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 HIS A 460
SER A 462
SER A 518
VAL A 517
 None
 1.45A 4a99D-5erbA:
undetectable		 4a99D-5erbA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fah KALLIKREIN-7

(Homo sapiens) 		PF00089
(Trypsin) 		4 HIS A  57
SER A 195
SER A 214
VAL A 213
 5VT  A 302 (-3.8A)
5VT  A 302 (-4.0A)
None
None
 1.40A 4a99D-5fahA:
undetectable		 4a99D-5fahA:
18.78
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		4 HIS A 184
SER A 202
GLN A 189
SER A 200
 None
K  A1373 (-2.6A)
None
K  A1374 ( 3.8A)
 1.26A 4a99D-5g10A:
undetectable		 4a99D-5g10A:
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.
5n11 HEMAGGLUTININ-ESTERA
SE

(Betacoronavirus
1) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 HIS A  29
SER A  28
SER A 338
VAL A  26
 None
 1.49A 4a99D-5n11A:
undetectable		 4a99D-5n11A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o05 NANOBODY (VHH)
NANO-42

(Vicugna pacos) 		PF07686
(V-set) 		4 SER C  27
GLN C   3
SER C  25
VAL C  28
 EDO  C 201 (-3.4A)
None
None
None
 1.45A 4a99D-5o05C:
undetectable		 4a99D-5o05C:
14.36
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 HIS A 718
SER A 716
SER A 435
VAL A 436
 None
 1.20A 4a99D-5okoA:
undetectable		 4a99D-5okoA:
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 4 HIS A 630
SER A 642
GLN A 640
VAL A 650
 None
 1.34A 4a99D-5opqA:
undetectable		 4a99D-5opqA:
13.46
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.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 HIS A 194
GLN A 200
SER A 204
VAL A 207
 None
 1.17A 4a99D-5t8tA:
undetectable		 4a99D-5t8tA:
23.49
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		4 HIS A 597
SER A 609
GLN A 607
VAL A 617
 None
 1.38A 4a99D-5wzrA:
undetectable		 4a99D-5wzrA:
19.72
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 4 SER A 300
GLN A 255
SER A 305
VAL A 304
 None
 1.35A 4a99D-5xmjA:
9.1		 4a99D-5xmjA:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6co1 TUDOR-INTERACTING
REPAIR REGULATOR
PROTEIN

(Homo sapiens) 		no annotation 4 HIS A  29
SER A  27
GLN A 172
VAL A 109
 None
 1.40A 4a99D-6co1A:
undetectable		 4a99D-6co1A:
12.56