SIMILAR PATTERNS OF AMINO ACIDS FOR 3A6J_A_CRNA303

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.
1bqb PROTEIN (AUREOLYSIN)

(Staphylococcus
aureus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 168
HIS A 144
HIS A 228
HIS A 148
GLU A 145
 ZN  A 350 (-2.2A)
ZN  A 350 (-3.3A)
None
ZN  A 350 (-3.3A)
ZN  A 350 ( 4.6A)
 1.15A 3a6jA-1bqbA:
undetectable		 3a6jA-1bqbA:
19.62
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 200
HIS A 112
ASP A 141
GLU A 176
 ZN  A 501 ( 1.9A)
ZN  A 501 ( 3.3A)
ZN  A 500 (-2.4A)
ZN  A 500 ( 2.0A)
 0.87A 3a6jA-1cg2A:
4.7		 3a6jA-1cg2A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hi9 DIPEPTIDE TRANSPORT
PROTEIN DPPA

(Bacillus
subtilis) 		PF04951
(Peptidase_M55) 		6 GLU A  10
HIS A 104
ASP A   8
HIS A  60
HIS A 115
GLU A 133
 ZN  A 301 (-2.3A)
ZN  A 300 (-3.1A)
ZN  A 301 ( 2.5A)
ZN  A 301 (-3.6A)
ZN  A 300 (-4.4A)
ZN  A 300 (-2.1A)
 0.81A 3a6jA-1hi9A:
4.1		 3a6jA-1hi9A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hmd HEMERYTHRIN

(Themiste
dyscritum) 		no annotation 5 GLU A  58
ASP A 106
HIS A  73
TRP A  97
HIS A  54
 FEO  A 115 (-2.5A)
FEO  A 115 (-2.6A)
FEO  A 115 (-3.4A)
None
FEO  A 115 (-3.5A)
 1.28A 3a6jA-1hmdA:
undetectable		 3a6jA-1hmdA:
15.33
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.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		5 GLU A  73
HIS A   9
ASP A 192
HIS A 131
HIS A  40
 ZN  A 303 ( 2.3A)
ZN  A 302 (-3.3A)
ZN  A 302 (-2.6A)
ZN  A 303 (-3.4A)
ZN  A 301 (-3.2A)
 1.14A 3a6jA-1m68A:
undetectable		 3a6jA-1m68A:
22.11
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 GLU A 288
HIS A 350
HIS A 235
GLU A 422
 None
 0.93A 3a6jA-1nowA:
undetectable		 3a6jA-1nowA:
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 167
HIS A 143
HIS A 232
HIS A 147
GLU A 144
 ZN  A 323 ( 2.0A)
ZN  A 323 ( 3.3A)
None
ZN  A 323 ( 3.2A)
ZN  A 323 ( 4.5A)
 1.21A 3a6jA-1npcA:
undetectable		 3a6jA-1npcA:
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 GLU A 115
HIS A  51
ASP A 255
HIS A 197
 FE  A 401 (-2.6A)
None
None
FE  A 401 (-3.5A)
 0.88A 3a6jA-1o12A:
undetectable		 3a6jA-1o12A:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q3k CREATININASE

(Pseudomonas
putida) 		PF02633
(Creatininase) 		8 GLU A  34
HIS A  36
ASP A  45
HIS A 120
TYR A 121
TRP A 154
HIS A 178
GLU A 183
 ZN  A 300 (-2.5A)
ZN  A 301 (-3.3A)
ZN  A 301 ( 2.3A)
ZN  A 300 (-3.5A)
None
None
ZN  A 300 ( 4.9A)
ZN  A 301 (-2.1A)
 0.26A 3a6jA-1q3kA:
43.2		 3a6jA-1q3kA:
96.53
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.
1q7l AMINOACYLASE-1

(Homo sapiens) 		PF01546
(Peptidase_M20) 		4 GLU A 175
HIS A  80
ASP A 113
GLU A 148
 ZN  A1002 ( 1.9A)
ZN  A1002 ( 3.2A)
ZN  A1002 (-2.5A)
ZN  A1001 (-1.9A)
 0.91A 3a6jA-1q7lA:
undetectable		 3a6jA-1q7lA:
19.12
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 HIS A 119
TYR A 245
HIS A  96
GLU A 117
 ZN  A 280 (-3.2A)
None
ZN  A 280 (-3.2A)
None
 0.90A 3a6jA-1urtA:
undetectable		 3a6jA-1urtA:
23.00
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		4 GLU 1 498
HIS 1 469
HIS 1 473
GLU 1 470
 ZN  1 700 ( 2.2A)
ZN  1 700 (-3.2A)
ZN  1 700 ( 3.3A)
TRP  1 702 ( 2.6A)
 0.89A 3a6jA-1y791:
undetectable		 3a6jA-1y791:
17.11
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 HIS A 973
ASP A 575
TYR A  98
TRP A 203
 None
 0.89A 3a6jA-1yq2A:
undetectable		 3a6jA-1yq2A:
14.05
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLU A 288
HIS A 265
HIS A 269
GLU A 266
 ZN  A 800 (-2.8A)
ZN  A 800 (-3.3A)
ZN  A 800 (-3.2A)
ZN  A 800 (-3.4A)
 0.85A 3a6jA-1z1wA:
undetectable		 3a6jA-1z1wA:
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 GLU A 250
HIS A 211
HIS A 215
GLU A 212
 ZN  A 422 ( 2.4A)
ZN  A 422 ( 3.3A)
ZN  A 422 ( 3.3A)
SO4  A 500 (-2.4A)
 0.95A 3a6jA-1zl6A:
undetectable		 3a6jA-1zl6A:
20.88
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.
2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH

(Desulfovibrio
vulgaris) 		PF01814
(Hemerythrin) 		5 GLU A  63
HIS A  23
ASP A 123
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.4A)
 1.28A 3a6jA-2awcA:
undetectable		 3a6jA-2awcA:
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.
2b0a HYPOTHETICAL PROTEIN
MJ0783

(Methanocaldococcus
jannaschii) 		PF04199
(Cyclase) 		4 GLU A 148
HIS A  44
ASP A  46
HIS A 136
 None
 0.92A 3a6jA-2b0aA:
undetectable		 3a6jA-2b0aA:
17.78
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.
2f7v AECTYLCITRULLINE
DEACETYLASE

(Xanthomonas
campestris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 155
HIS A  72
ASP A 103
GLU A 131
 CO  A5367 (-2.1A)
CO  A5367 (-3.4A)
CO  A5367 (-2.2A)
CO  A5367 ( 4.0A)
 0.93A 3a6jA-2f7vA:
4.0		 3a6jA-2f7vA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 GLU A 269
HIS A 229
HIS A 233
GLU A 230
 ZN  A 500 (-1.8A)
ZN  A 500 (-3.1A)
ZN  A 500 (-3.3A)
ZN  A 500 ( 4.2A)
 0.92A 3a6jA-2fpqA:
undetectable		 3a6jA-2fpqA:
19.46
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.
2g5g PUTATIVE LIPOPROTEIN

(Campylobacter
jejuni) 		PF04187
(Cofac_haem_bdg) 		4 GLU X  80
HIS X 220
TYR X 219
HIS X  48
 None
 0.91A 3a6jA-2g5gX:
undetectable		 3a6jA-2g5gX:
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		4 GLU A 384
HIS A 356
HIS A 360
GLU A 357
 ZN  A 601 (-2.2A)
ZN  A 601 (-3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 4.9A)
 0.91A 3a6jA-2h1nA:
undetectable		 3a6jA-2h1nA:
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.
2mhr MYOHEMERYTHRIN

(Themiste
hennahi) 		PF01814
(Hemerythrin) 		5 GLU A  58
ASP A 111
HIS A  73
TRP A 102
HIS A  54
 FEO  A 119 (-2.5A)
FEO  A 119 ( 2.5A)
FEO  A 119 (-3.5A)
None
FEO  A 119 ( 3.3A)
 1.30A 3a6jA-2mhrA:
undetectable		 3a6jA-2mhrA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mhr MYOHEMERYTHRIN

(Themiste
hennahi) 		PF01814
(Hemerythrin) 		5 GLU A  58
HIS A  25
ASP A 111
TRP A 102
HIS A  54
 FEO  A 119 (-2.5A)
FEO  A 119 ( 3.4A)
FEO  A 119 ( 2.5A)
None
FEO  A 119 ( 3.3A)
 1.17A 3a6jA-2mhrA:
undetectable		 3a6jA-2mhrA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 GLU A 262
HIS A 223
HIS A 227
GLU A 224
 ZN  A   1 (-2.0A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
 0.92A 3a6jA-2nz9A:
undetectable		 3a6jA-2nz9A:
10.49
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		4 GLU A 502
HIS A 473
HIS A 477
GLU A 474
 ZN  A 690 (-2.3A)
ZN  A 690 (-3.4A)
ZN  A 690 (-3.3A)
ZN  A 690 ( 4.1A)
 0.89A 3a6jA-2o36A:
undetectable		 3a6jA-2o36A:
16.47
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		4 GLU A 503
HIS A 474
HIS A 478
GLU A 475
 ZN  A 679 (-2.1A)
ZN  A 679 (-3.4A)
ZN  A 679 (-3.3A)
ZN  A 679 ( 4.5A)
 0.80A 3a6jA-2o3eA:
undetectable		 3a6jA-2o3eA:
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 184
HIS A  90
ASP A 123
GLU A 158
 MN  A 460 (-2.3A)
MN  A 460 (-3.7A)
MN  A 460 (-2.6A)
MN  A 460 ( 4.9A)
 0.80A 3a6jA-2pokA:
4.1		 3a6jA-2pokA:
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 GLU A 136
HIS A  65
ASP A 281
HIS A 223
 FE  A1397 ( 2.6A)
FE  A1397 (-3.3A)
FE  A1397 ( 2.7A)
FE  A1398 (-3.3A)
 0.92A 3a6jA-2vhlA:
undetectable		 3a6jA-2vhlA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		4 GLU A 164
HIS A  69
ASP A 276
HIS A 220
 FE  A 402 ( 2.5A)
ZN  A 401 (-3.3A)
ZN  A 401 (-2.9A)
FE  A 402 (-3.1A)
 0.81A 3a6jA-2vunA:
undetectable		 3a6jA-2vunA:
21.17
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.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB

(Streptococcus
pneumoniae) 		no annotation 5 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.14A 3a6jA-2wjfA:
undetectable		 3a6jA-2wjfA:
22.66
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.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 GLU A 411
HIS A 383
HIS A 387
GLU A 384
 ZN  A1628 ( 2.4A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
 0.82A 3a6jA-2xy9A:
undetectable		 3a6jA-2xy9A:
18.61
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.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 GLU A 389
HIS A 361
HIS A 365
GLU A 362
 ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
 0.77A 3a6jA-2xydA:
undetectable		 3a6jA-2xydA:
17.58
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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		4 GLU A 555
HIS A 523
HIS A 527
GLU A 524
 ZN  A1791 (-2.1A)
ZN  A1791 (-3.3A)
ZN  A1791 (-3.3A)
ZN  A1791 ( 4.4A)
 0.94A 3a6jA-2y6iA:
undetectable		 3a6jA-2y6iA:
15.61
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.
2zds PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N) 		4 GLU A 178
ASP A 235
HIS A  72
GLU A  32
 None
 0.92A 3a6jA-2zdsA:
undetectable		 3a6jA-2zdsA:
23.70
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.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 GLU A 248
HIS A  69
HIS A 219
HIS A 204
GLU A 139
 PO4  A 272 (-2.6A)
PO4  A 272 (-4.0A)
MN  A 271 ( 3.4A)
PO4  A 272 ( 4.4A)
PO4  A 272 (-2.9A)
 1.39A 3a6jA-3aamA:
2.7		 3a6jA-3aamA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 4 GLU A 384
HIS A 356
HIS A 360
GLU A 357
 ZN  A 565 (-2.1A)
ZN  A 565 (-3.4A)
ZN  A 565 (-3.3A)
ZN  A 565 ( 4.6A)
 0.92A 3a6jA-3ahmA:
undetectable		 3a6jA-3ahmA:
18.84
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.
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) 		4 HIS A 971
ASP A 602
TYR A 119
TRP A 229
 None
 0.91A 3a6jA-3bgaA:
undetectable		 3a6jA-3bgaA:
12.48
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.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		4 GLU A 517
HIS A 460
HIS A 465
GLU A 461
 ZN  A 712 (-2.3A)
ZN  A 712 (-3.3A)
ZN  A 712 (-3.3A)
ZN  A 712 ( 4.0A)
 0.92A 3a6jA-3cskA:
undetectable		 3a6jA-3cskA:
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.
3ct9 ACETYLORNITHINE
DEACETYLASE

(Bacteroides
thetaiotaomicron) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 161
HIS A  73
ASP A 104
GLU A 137
 None
 0.92A 3a6jA-3ct9A:
4.8		 3a6jA-3ct9A:
20.27
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.
3dbk ELASTASE

(Pseudomonas
aeruginosa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 164
HIS A 140
HIS A 223
HIS A 144
GLU A 141
 ZN  A 302 ( 2.2A)
ZN  A 302 ( 3.2A)
RDF  A2001 (-3.5A)
ZN  A 302 ( 3.2A)
RDF  A2001 (-2.7A)
 1.18A 3a6jA-3dbkA:
undetectable		 3a6jA-3dbkA:
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 GLU A 667
HIS A 607
HIS A 611
GLU A 608
 ZN  A 771 ( 2.1A)
ZN  A 771 ( 3.4A)
ZN  A 771 ( 3.3A)
RDF  A 817 (-2.4A)
 0.76A 3a6jA-3dwbA:
undetectable		 3a6jA-3dwbA:
16.57
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.
3e38 TWO-DOMAIN PROTEIN
CONTAINING PREDICTED
PHP-LIKE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bacteroides
vulgatus) 		PF16392
(DUF5001) 		5 GLU A 113
HIS A  46
ASP A 214
HIS A 157
HIS A  76
 ZN  A   2 (-2.7A)
ZN  A   2 ( 3.2A)
ZN  A   2 ( 2.6A)
ZN  A   1 ( 3.4A)
ZN  A   3 ( 3.3A)
 1.20A 3a6jA-3e38A:
undetectable		 3a6jA-3e38A:
21.73
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.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 HIS A 138
TYR A 263
HIS A 113
GLU A 136
 MG  A 901 (-3.2A)
None
MG  A 901 (-3.4A)
None
 0.90A 3a6jA-3fe4A:
undetectable		 3a6jA-3fe4A:
23.82
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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		5 GLU A 248
HIS A 217
ASP A 237
HIS A 121
HIS A 192
 FE  A 306 ( 2.5A)
FE  A 305 (-3.3A)
FE  A 306 (-2.8A)
FE  A 306 (-3.4A)
FE  A 305 (-3.5A)
 1.22A 3a6jA-3hc1A:
undetectable		 3a6jA-3hc1A:
23.93
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.
3hdi PROCESSING PROTEASE

(Bacillus
halodurans) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLU A 126
HIS A  50
HIS A  46
GLU A  49
 CO  A 500 (-2.1A)
CO  A 500 (-3.4A)
CO  A 500 (-3.4A)
CO  A 500 ( 4.3A)
 0.87A 3a6jA-3hdiA:
undetectable		 3a6jA-3hdiA:
19.17
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.
3hrt METALLOREGULATOR
SCAR

(Streptococcus
gordonii) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C)
PF04023
(FeoA) 		4 GLU A  80
HIS A  76
ASP A 160
HIS A 125
 CD  A 501 (-2.7A)
None
CD  A 501 ( 2.9A)
CD  A 501 (-4.0A)
 0.90A 3a6jA-3hrtA:
undetectable		 3a6jA-3hrtA:
24.55
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.
3io0 ETUB PROTEIN

(Clostridium
kluyveri) 		PF00936
(BMC) 		5 GLU A 262
HIS A 224
HIS A 156
HIS A 195
GLU A 197
 None
 1.34A 3a6jA-3io0A:
undetectable		 3a6jA-3io0A:
23.79
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.
3lub PUTATIVE CREATININE
AMIDOHYDROLASE

(Bacteroides
fragilis) 		PF02633
(Creatininase) 		6 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.31A 3a6jA-3lubA:
25.9		 3a6jA-3lubA:
28.62
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.
3n5f N-CARBAMOYL-L-AMINO
ACID HYDROLASE

(Geobacillus
stearothermophilus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 HIS A 189
ASP A  90
HIS A 380
HIS A 356
 CO  A 410 (-3.5A)
CO  A 410 (-2.8A)
None
CO  A 410 ( 4.7A)
 0.94A 3a6jA-3n5fA:
4.0		 3a6jA-3n5fA:
22.46
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.
3no4 CREATININE
AMIDOHYDROLASE

(Nostoc
punctiforme) 		PF02633
(Creatininase) 		6 GLU A  29
HIS A  31
ASP A  40
HIS A 110
HIS A 167
GLU A 172
 UNL  A 350 ( 4.2A)
NI  A 300 (-3.4A)
NI  A 300 (-2.4A)
UNL  A 350 ( 4.3A)
UNL  A 350 ( 4.4A)
NI  A 300 (-2.3A)
 0.68A 3a6jA-3no4A:
27.3		 3a6jA-3no4A:
24.64
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 369
HIS A 345
HIS A 428
HIS A 349
GLU A 346
 ZN  A   1 (-2.3A)
ZN  A   1 (-3.2A)
None
ZN  A   1 (-3.2A)
ZN  A   1 ( 4.5A)
 1.14A 3a6jA-3nqxA:
undetectable		 3a6jA-3nqxA:
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 201
HIS A 110
ASP A 143
GLU A 178
 ZN  A 450 (-2.0A)
ZN  A 450 (-3.3A)
ZN  A 450 ( 2.5A)
ZN  A 451 (-2.0A)
 0.92A 3a6jA-3pfoA:
4.3		 3a6jA-3pfoA:
21.30
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 5 GLU A  80
HIS A   7
ASP A 194
HIS A 136
HIS A  42
 FE  A 263 (-2.5A)
FE  A 264 ( 3.3A)
FE  A 264 ( 2.6A)
FE  A 263 (-3.4A)
PO4  A 266 ( 3.3A)
 1.15A 3a6jA-3qy7A:
undetectable		 3a6jA-3qy7A:
19.93
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 4 GLU A 384
HIS A 356
HIS A 360
GLU A 357
 ZN  A 568 ( 2.0A)
ZN  A 568 ( 3.3A)
ZN  A 568 ( 3.3A)
PO4  A 566 (-3.2A)
 0.90A 3a6jA-3sksA:
undetectable		 3a6jA-3sksA:
17.57
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.32A 3a6jA-3t8lA:
undetectable		 3a6jA-3t8lA:
18.95
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.35A 3a6jA-3t8lA:
undetectable		 3a6jA-3t8lA:
18.95
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 165
HIS A  77
ASP A 103
GLU A 137
 None
 0.78A 3a6jA-3tx8A:
4.3		 3a6jA-3tx8A:
24.35
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.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 GLU A1318
HIS A1295
HIS A1299
GLU A1296
 ZN  A2001 ( 2.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
 0.88A 3a6jA-3u9wA:
undetectable		 3a6jA-3u9wA:
19.06
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		4 GLU A 260
HIS A 222
ASP A 192
HIS A 231
 MN  A1002 ( 4.9A)
MN  A1001 ( 4.9A)
MN  A1001 ( 4.5A)
MN  A1001 (-3.6A)
 0.92A 3a6jA-3wqoA:
undetectable		 3a6jA-3wqoA:
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 GLU A 560
HIS A 493
HIS A 497
GLU A 494
 ZN  A1664 ( 2.3A)
ZN  A1664 ( 3.4A)
ZN  A1664 (-3.1A)
RDF  A1665 (-2.5A)
 0.83A 3a6jA-3zukA:
undetectable		 3a6jA-3zukA:
16.40
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 GLU A 268
HIS A 230
HIS A 234
GLU A 231
 ZN  A1440 (-2.1A)
ZN  A1440 (-3.3A)
ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
 0.91A 3a6jA-3zuqA:
undetectable		 3a6jA-3zuqA:
14.22
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.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23

(Clostridium
botulinum;
Homo sapiens) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 GLU A 262
HIS A 223
HIS A 227
GLU A 224
 ZN  A1916 (-2.0A)
ZN  A1916 (-3.3A)
ZN  A1916 (-3.3A)
ZN  A1916 ( 4.3A)
 0.90A 3a6jA-3zusA:
undetectable		 3a6jA-3zusA:
13.07
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.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 159
HIS A 135
HIS A 219
HIS A 139
GLU A 136
 ZN  A 401 ( 1.9A)
ZN  A 401 ( 3.2A)
RDF  A 501 (-3.6A)
ZN  A 401 ( 3.3A)
RDF  A 501 (-2.5A)
 1.16A 3a6jA-4b52A:
undetectable		 3a6jA-4b52A:
20.54
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLU A 411
HIS A 388
HIS A 392
GLU A 389
 None
 0.86A 3a6jA-4fysA:
undetectable		 3a6jA-4fysA:
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 GLU A 315
HIS A 292
HIS A 296
GLU A 293
 ZN  A 701 ( 1.7A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
BES  A 702 (-2.6A)
 0.92A 3a6jA-4gaaA:
undetectable		 3a6jA-4gaaA:
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		5 GLU A  81
HIS A  11
ASP A 228
HIS A 154
HIS A  42
 ZN  A 301 (-2.5A)
ZN  A 303 ( 3.3A)
ZN  A 303 ( 2.6A)
ZN  A 301 ( 3.3A)
ZN  A 302 ( 3.3A)
 1.12A 3a6jA-4gk8A:
undetectable		 3a6jA-4gk8A:
22.01
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		5 GLU A 319
HIS A 348
ASP A 383
HIS A 381
GLU A 343
 ZN  A 502 ( 2.5A)
ZN  A 502 (-3.5A)
ZN  A 501 (-2.2A)
ZN  A 501 (-3.4A)
ZN  A 502 ( 4.2A)
 1.21A 3a6jA-4icqA:
undetectable		 3a6jA-4icqA:
20.83
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 GLU A 537
HIS A 477
HIS A 481
GLU A 478
 ZN  A 701 ( 2.2A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 3.4A)
CIT  A 702 (-2.4A)
 0.78A 3a6jA-4iuwA:
undetectable		 3a6jA-4iuwA:
16.54
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.
4j1l TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27) 		4 GLU A 271
HIS A 233
HIS A 237
GLU A 234
 ZN  A 501 (-1.9A)
ZN  A 501 (-3.5A)
ZN  A 501 (-3.3A)
ZN  A 501 ( 4.1A)
 0.82A 3a6jA-4j1lA:
undetectable		 3a6jA-4j1lA:
17.63
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.
4js5 EXODEOXYRIBONUCLEASE
I

(Escherichia
coli) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		5 GLU A 167
ASP A 186
HIS A 177
HIS A 181
GLU A  17
 None
 1.39A 3a6jA-4js5A:
undetectable		 3a6jA-4js5A:
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36) 		5 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
 ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
 1.26A 3a6jA-4k90A:
undetectable		 3a6jA-4k90A:
20.95
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		4 GLU A 601
HIS A 571
HIS A 575
GLU A 572
 ZN  A 801 (-2.1A)
ZN  A 801 (-3.3A)
ZN  A 801 (-3.3A)
ZN  A 801 ( 4.6A)
 0.85A 3a6jA-4ka8A:
undetectable		 3a6jA-4ka8A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mmo SSO-CP2
METALLO-CARBOXYPETID
ASE

(Sulfolobus
solfataricus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 163
HIS A  71
ASP A 104
GLU A 138
 ZN  A 501 (-1.7A)
ZN  A 501 (-3.2A)
ZN  A 501 (-2.5A)
ZN  A 501 ( 4.5A)
 0.80A 3a6jA-4mmoA:
3.1		 3a6jA-4mmoA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.82A 3a6jA-4pj6A:
undetectable		 3a6jA-4pj6A:
14.73
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.
4ppz SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Neisseria
meningitidis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 164
HIS A  68
ASP A 101
GLU A 136
 ZN  A 601 (-2.1A)
ZN  A 601 (-3.2A)
ZN  A 601 ( 2.3A)
ZN  A 602 ( 1.9A)
 0.94A 3a6jA-4ppzA:
4.8		 3a6jA-4ppzA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		4 GLU A 151
HIS A  71
ASP A  95
GLU A 127
 None
 0.86A 3a6jA-4q7aA:
3.9		 3a6jA-4q7aA:
21.78
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.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLU A 142
HIS A  71
HIS A  67
GLU A  70
 NI  A 502 (-3.1A)
NI  A 502 (-3.4A)
NI  A 502 (-3.4A)
NI  A 502 ( 4.6A)
 0.91A 3a6jA-4xeaA:
undetectable		 3a6jA-4xeaA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		5 GLU A  62
ASP A 122
HIS A  77
TRP A 113
HIS A  58
 FE2  A 201 ( 2.6A)
FE2  A 202 ( 2.6A)
FE2  A 201 (-3.4A)
None
FE2  A 202 (-3.4A)
 1.31A 3a6jA-4xpxA:
undetectable		 3a6jA-4xpxA:
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.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		5 GLU A  62
HIS A  22
ASP A 122
TRP A 113
HIS A  58
 FE2  A 201 ( 2.6A)
FE2  A 202 (-3.3A)
FE2  A 202 ( 2.6A)
None
FE2  A 202 (-3.4A)
 1.18A 3a6jA-4xpxA:
undetectable		 3a6jA-4xpxA:
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 GLU A 647
HIS A 584
HIS A 588
GLU A 585
 ZN  A 801 ( 2.2A)
ZN  A 801 ( 3.3A)
ZN  A 801 ( 3.2A)
RDF  A 802 (-2.7A)
 0.79A 3a6jA-4zr5A:
undetectable		 3a6jA-4zr5A:
16.36
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		4 GLU A 395
HIS A 367
HIS A 371
GLU A 368
 ZN  A1616 (-2.4A)
ZN  A1616 (-3.2A)
ZN  A1616 (-3.3A)
MLT  A1615 (-4.3A)
 0.81A 3a6jA-5a2rA:
undetectable		 3a6jA-5a2rA:
20.37
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.20A 3a6jA-5a3yA:
undetectable		 3a6jA-5a3yA:
18.27
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.
5dll AMINOPEPTIDASE N

(Francisella
tularensis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 GLU A 329
HIS A 306
HIS A 310
GLU A 307
 ZN  A 901 (-1.6A)
ZN  A 901 (-3.3A)
ZN  A 901 (-3.3A)
ZN  A 901 ( 4.2A)
 0.93A 3a6jA-5dllA:
undetectable		 3a6jA-5dllA:
14.12
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.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		4 GLU A 237
HIS A  66
ASP A 180
GLU A 215
 CO  A 402 (-2.0A)
CO  A 402 (-3.2A)
CO  A 401 ( 2.3A)
CO  A 401 (-2.0A)
 0.92A 3a6jA-5ds0A:
4.6		 3a6jA-5ds0A:
22.86
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.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A

(Neisseria
meningitidis) 		PF00884
(Sulfatase)
PF08019
(DUF1705) 		5 GLU A 240
HIS A 383
ASP A 324
HIS A 378
GLU A 114
 ZN  A 603 (-1.8A)
LMT  A 602 ( 4.7A)
None
None
LMT  A 602 (-2.9A)
 1.46A 3a6jA-5fgnA:
undetectable		 3a6jA-5fgnA:
19.60
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.17A 3a6jA-5fxnA:
undetectable		 3a6jA-5fxnA:
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.
5iry DESMOCOLLIN-1

(Homo sapiens) 		PF00028
(Cadherin) 		4 GLU A 402
ASP A 400
TYR A 436
HIS A 439
 CA  A 609 ( 2.1A)
CA  A 609 (-3.0A)
None
None
 0.91A 3a6jA-5iryA:
undetectable		 3a6jA-5iryA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kd5 METALLOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		4 GLU A 591
HIS A 574
HIS A 578
GLU A 575
 ZN  A 901 ( 2.3A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.2A)
EDO  A 904 (-2.4A)
 0.83A 3a6jA-5kd5A:
undetectable		 3a6jA-5kd5A:
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.
5kdj F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		no annotation 4 GLU B 771
HIS B 756
HIS B 760
GLU B 757
 ZN  B1103 (-2.5A)
ZN  B1103 (-3.3A)
ZN  B1103 (-3.4A)
ZN  B1103 ( 4.3A)
 0.85A 3a6jA-5kdjB:
undetectable		 3a6jA-5kdjB:
17.66
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		4 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.78A 3a6jA-5kdsA:
undetectable		 3a6jA-5kdsA:
18.75
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		4 GLU A 716
HIS A 696
HIS A 700
GLU A 697
 ZN  A1005 (-2.1A)
ZN  A1005 ( 3.3A)
ZN  A1005 (-3.4A)
ZN  A1005 (-4.1A)
 0.94A 3a6jA-5kdxA:
undetectable		 3a6jA-5kdxA:
14.90
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		4 GLU A 492
HIS A 463
HIS A 467
GLU A 464
 ZN  A1001 ( 2.2A)
ZN  A1001 ( 3.3A)
ZN  A1001 ( 3.4A)
K26  A1005 (-2.7A)
 0.85A 3a6jA-5l44A:
undetectable		 3a6jA-5l44A:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5syt CAAX PRENYL PROTEASE
1 HOMOLOG

(Homo sapiens) 		PF01435
(Peptidase_M48)
PF16491
(Peptidase_M48_N) 		5 GLU A 415
HIS A 335
HIS A 459
HIS A 339
GLU A 336
 ZN  A 517 (-2.1A)
ZN  A 517 (-3.2A)
DMS  A 523 (-4.3A)
ZN  A 517 (-3.2A)
ZN  A 517 (-3.9A)
 1.24A 3a6jA-5sytA:
undetectable		 3a6jA-5sytA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 GLU A 404
ASP A 405
HIS A 402
GLU A 157
 None
 0.88A 3a6jA-5ux5A:
2.4		 3a6jA-5ux5A:
13.36
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.
5xga OSMOLARITY SENSOR
PROTEIN ENVZ

(Escherichia
coli) 		no annotation 4 GLU A  73
HIS A  71
HIS A  77
GLU A  88
 None
 0.93A 3a6jA-5xgaA:
undetectable		 3a6jA-5xgaA:
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 5 GLU A 501
HIS A 443
HIS A 562
HIS A 448
GLU A 444
 ZN  A 801 (-2.0A)
ZN  A 801 (-3.2A)
None
ZN  A 801 (-3.1A)
GOL  A 804 (-3.9A)
 1.34A 3a6jA-5yfbA:
undetectable		 3a6jA-5yfbA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 4 GLU A  76
HIS A  10
ASP A 193
HIS A 139
 ZN  A 502 ( 2.4A)
ZN  A 502 (-3.3A)
ZN  A 502 (-2.5A)
ZN  A 501 (-3.3A)
 0.91A 3a6jA-5zb8A:
undetectable		 3a6jA-5zb8A:
15.87
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 4 GLU A 412
HIS A 379
HIS A 383
GLU A 380
 ZN  A 601 (-1.6A)
ZN  A 601 (-3.2A)
ZN  A 601 (-3.2A)
None
 0.93A 3a6jA-6eomA:
undetectable		 3a6jA-6eomA:
15.58
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 HIS A 959
ASP A 571
TYR A 108
TRP A 209
 None
 0.95A 3a6jA-6etzA:
undetectable		 3a6jA-6etzA:
17.31
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.
6fpc PRO-PRO
ENDOPEPTIDASE

(Paenibacillus
alvei) 		no annotation 4 GLU A 181
HIS A 137
HIS A 141
GLU A 138
 ZN  A 301 ( 2.1A)
ZN  A 301 ( 3.4A)
ZN  A 301 ( 3.4A)
ZN  A 301 ( 4.3A)
 0.93A 3a6jA-6fpcA:
2.2		 3a6jA-6fpcA:
16.39