SIMILAR PATTERNS OF AMINO ACIDS FOR 4V2Z_B_Y70B151

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.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 ASN A 652
PRO A 653
PHE A 649
TYR A 534
 None
 1.19A 4v2zB-1a2vA:
0.8		 4v2zB-1a2vA:
11.83
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.
1bru ELASTASE

(Sus scrofa) 		PF00089
(Trypsin) 		4 ASN P 200
PRO P 198
TRP P  27
TRP P 207
 None
 1.46A 4v2zB-1bruP:
0.1		 4v2zB-1bruP:
20.51
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.
1kq8 HEPATOCYTE NUCLEAR
FACTOR 3 FORKHEAD
HOMOLOG 1

(Rattus
norvegicus) 		PF00250
(Forkhead) 		4 PRO A  38
PHE A  39
TRP A  47
TYR A   8
 None
 1.47A 4v2zB-1kq8A:
undetectable		 4v2zB-1kq8A:
22.38
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		4 ASN A 260
PHE A 294
TRP A 295
TYR A 297
 None
 1.02A 4v2zB-1lxyA:
undetectable		 4v2zB-1lxyA:
13.38
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.
1unf IRON SUPEROXIDE
DISMUTASE

(Vigna
unguiculata) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 ASN X 178
PRO X 177
TRP X 197
TYR X  51
 None
 1.37A 4v2zB-1unfX:
0.0		 4v2zB-1unfX:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v0d DNA FRAGMENTATION
FACTOR 40 KDA
SUBUNIT

(Mus musculus) 		PF09230
(DFF40) 		4 ASN A 245
PRO A 246
PHE A 256
TRP A 259
 None
 1.48A 4v2zB-1v0dA:
0.0		 4v2zB-1v0dA:
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.
1y9j SEC1 FAMILY DOMAIN
CONTAINING PROTEIN 1

(Rattus
norvegicus) 		PF00995
(Sec1) 		4 ASN A 112
MET A  21
PHE A 113
TYR A 145
 None
 1.45A 4v2zB-1y9jA:
undetectable		 4v2zB-1y9jA:
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASN A 192
PRO A 255
TRP A 124
TYR A 211
 None
 1.47A 4v2zB-2bucA:
0.0		 4v2zB-2bucA:
11.62
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.
2c7l PHYCOERYTHROCYANIN
BETA CHAIN

(Mastigocladus
laminosus) 		PF00502
(Phycobilisome) 		4 ASN B  68
PRO B  69
PHE B  74
TYR B  56
 None
 1.33A 4v2zB-2c7lB:
undetectable		 4v2zB-2c7lB:
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.
2d7t ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, HEAVY
CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 ASN H  52
PRO H  53
TRP H  50
TYR H  60
 None
 1.17A 4v2zB-2d7tH:
0.0		 4v2zB-2d7tH:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		4 PRO A  70
MET A  72
TRP A  67
TYR A 188
 None
 1.47A 4v2zB-2e67A:
undetectable		 4v2zB-2e67A:
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.
2g8g CAPSID

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 PRO A 299
PHE A 636
TRP A 617
TYR A 343
 None
 1.41A 4v2zB-2g8gA:
undetectable		 4v2zB-2g8gA:
12.28
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.
2p1i RIBONUCLEOTIDE
REDUCTASE, SMALL
CHAIN

(Plasmodium
yoelii) 		PF00268
(Ribonuc_red_sm) 		4 MET A 280
PHE A 204
TRP A 309
TRP A 205
 None
 1.45A 4v2zB-2p1iA:
undetectable		 4v2zB-2p1iA:
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.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		4 ASN A 141
PRO A 145
PHE A 189
TYR A 155
 None
 1.28A 4v2zB-2w61A:
undetectable		 4v2zB-2w61A:
10.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ASN A 464
MET A 462
PHE A 338
TRP A 343
 None
 1.49A 4v2zB-2yp2A:
undetectable		 4v2zB-2yp2A:
13.43
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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		4 PRO A 280
PHE A 122
TRP A 279
TYR A 143
 None
None
None
GOL  A1001 ( 4.1A)
 1.45A 4v2zB-2yy7A:
undetectable		 4v2zB-2yy7A:
15.69
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.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium) 		PF01370
(Epimerase) 		4 PRO A 274
PHE A 116
TRP A 273
TYR A 137
 None
None
None
NAD  A3001 (-4.2A)
 1.47A 4v2zB-3a1nA:
undetectable		 4v2zB-3a1nA:
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.
3aiv BETA-GLUCOSIDASE

(Secale cereale) 		PF00232
(Glyco_hydro_1) 		4 ASN A 190
PHE A 187
TRP A 144
TYR A 168
 None
 1.35A 4v2zB-3aivA:
undetectable		 4v2zB-3aivA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 ASN A 301
MET A 299
TRP A 282
TYR A 280
 None
 1.41A 4v2zB-3ciaA:
undetectable		 4v2zB-3ciaA:
11.54
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.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 PRO A 310
PHE A 639
TRP A 620
TYR A 354
 None
 1.42A 4v2zB-3j4pA:
undetectable		 4v2zB-3j4pA:
14.60
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.
3juu PORPHYRANASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		4 ASN A 261
PRO A 262
TRP A 260
TRP A 172
 None
 1.42A 4v2zB-3juuA:
undetectable		 4v2zB-3juuA:
16.31
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		4 PRO A 699
MET A 693
TRP A 596
TYR A 668
 None
 1.23A 4v2zB-3kflA:
undetectable		 4v2zB-3kflA:
13.54
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.
3kie CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 PRO A 308
PHE A 638
TRP A 619
TYR A 352
 None
 1.38A 4v2zB-3kieA:
undetectable		 4v2zB-3kieA:
10.69
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.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 ASN A 127
PRO A 130
TRP A  86
TYR A  53
 None
MLY  A 123 ( 4.7A)
None
MLY  A 105 ( 3.5A)
 1.41A 4v2zB-3ln3A:
undetectable		 4v2zB-3ln3A:
17.52
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.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF08762
(CRPV_capsid) 		4 ASN A  77
PRO A  78
PHE A  99
TYR A  70
 None
 1.45A 4v2zB-3napA:
undetectable		 4v2zB-3napA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ng9 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 PRO A 309
PHE A 638
TRP A 619
TYR A 353
 None
 1.39A 4v2zB-3ng9A:
undetectable		 4v2zB-3ng9A:
11.35
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		4 PRO A  50
PHE A  89
TRP A  99
TRP A 101
 None
 1.13A 4v2zB-3nixA:
undetectable		 4v2zB-3nixA:
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.
3ntt CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
B) 		PF00740
(Parvo_coat) 		4 PRO A 299
PHE A 627
TRP A 608
TYR A 343
 None
 1.43A 4v2zB-3nttA:
undetectable		 4v2zB-3nttA:
10.74
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.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		4 PRO A 382
MET A 388
TRP A 231
TYR A 207
 None
 1.45A 4v2zB-3qufA:
undetectable		 4v2zB-3qufA:
13.66
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.
3ra2 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 PRO A 311
PHE A 640
TRP A 621
TYR A 355
 None
 1.34A 4v2zB-3ra2A:
undetectable		 4v2zB-3ra2A:
13.86
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.
3shm CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 PRO A 309
PHE A 638
TRP A 619
TYR A 353
 None
 1.40A 4v2zB-3shmA:
undetectable		 4v2zB-3shmA:
13.50
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.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 ASN A1272
MET A1270
TRP A1253
TYR A1251
 None
28P  A7001 (-3.5A)
None
None
 1.47A 4v2zB-3u9wA:
undetectable		 4v2zB-3u9wA:
12.29
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.
3ux1 CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 PRO A 310
PHE A 638
TRP A 619
TYR A 354
 None
 1.37A 4v2zB-3ux1A:
undetectable		 4v2zB-3ux1A:
12.68
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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ASN A 464
MET A 462
PHE A 338
TRP A 343
 None
 1.49A 4v2zB-3wheA:
undetectable		 4v2zB-3wheA:
13.22
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 ASN A 338
PRO A 339
PHE A 344
TYR A 423
 None
 1.15A 4v2zB-4aeeA:
undetectable		 4v2zB-4aeeA:
10.31
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.
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 4 ASN A 317
PRO A 274
PHE A 319
TYR A  49
 None
IOD  A1704 ( 4.6A)
None
None
 0.95A 4v2zB-4aw7A:
undetectable		 4v2zB-4aw7A:
11.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2z OXYSTEROL-BINDING
PROTEIN HOMOLOG 6

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		4 ASN A 221
PRO A 220
MET A 193
PHE A 253
 None
 1.47A 4v2zB-4b2zA:
undetectable		 4v2zB-4b2zA:
13.51
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ASN A 227
PHE A 231
TRP A 162
TRP A 260
 None
 1.39A 4v2zB-4cakA:
undetectable		 4v2zB-4cakA:
8.86
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.
4ci2 PROTEIN CEREBLON

(Gallus gallus) 		PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18) 		5 ASN B 353
PRO B 354
TRP B 382
TRP B 388
TRP B 402
 LVY  B1429 (-4.1A)
LVY  B1429 (-4.7A)
LVY  B1429 (-3.1A)
LVY  B1429 (-3.5A)
LVY  B1429 (-3.7A)
 0.42A 4v2zB-4ci2B:
16.2		 4v2zB-4ci2B:
16.01
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.
4gkl ALPHA-AMYLASE

(Thermotoga
neapolitana) 		PF00128
(Alpha-amylase) 		4 PRO A 284
PHE A 278
TRP A 353
TYR A 351
 None
 1.45A 4v2zB-4gklA:
undetectable		 4v2zB-4gklA:
14.43
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.
4hbk ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B4
(ALDOSE REDUCTASE)

(Schistosoma
japonicum) 		PF00248
(Aldo_ket_red) 		4 PRO A 112
PHE A 161
TRP A 111
TYR A 207
 None
 1.35A 4v2zB-4hbkA:
undetectable		 4v2zB-4hbkA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iov CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 PRO A 299
PHE A 635
TRP A 616
TYR A 343
 None
 1.36A 4v2zB-4iovA:
undetectable		 4v2zB-4iovA:
11.41
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 PRO A  69
PHE A  70
TRP A 350
TYR A 930
 None
 1.41A 4v2zB-4iugA:
undetectable		 4v2zB-4iugA:
8.02
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		4 ASN A 366
PRO A 367
MET A 369
TYR A 343
 None
 1.42A 4v2zB-4jncA:
undetectable		 4v2zB-4jncA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n4r LPS-ASSEMBLY
LIPOPROTEIN LPTE
LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04390
(LptE)
PF04453
(OstA_C) 		4 ASN B 129
PRO B 130
MET B 132
TYR A 665
 None
 1.49A 4v2zB-4n4rB:
undetectable		 4v2zB-4n4rB:
19.55
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.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		4 ASN A 250
PRO A 255
PHE A 256
TYR A  66
 None
None
None
EDO  A 402 (-4.8A)
 1.38A 4v2zB-4oqfA:
undetectable		 4v2zB-4oqfA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ot1 SM5-1 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  52
PRO H  53
TRP H  50
TYR H  60
 None
 1.21A 4v2zB-4ot1H:
undetectable		 4v2zB-4ot1H:
18.60
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.
4ovn SODIUM CHANNEL
PROTEIN TYPE 5
SUBUNIT ALPHA

(Homo sapiens) 		PF16905
(GPHH) 		4 ASN F1883
PRO F1884
MET F1880
TYR F1795
 None
 1.41A 4v2zB-4ovnF:
undetectable		 4v2zB-4ovnF:
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.
4rso CAPSID PROTEIN VP1

(Non-human
primate
Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 PRO A 310
PHE A 638
TRP A 619
TYR A 354
 None
 1.40A 4v2zB-4rsoA:
undetectable		 4v2zB-4rsoA:
12.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4v30 CEREBLON ISOFORM 4

(Magnetospirillum
gryphiswaldense) 		no annotation 8 ASN A  50
PRO A  51
MET A  54
PHE A  77
TRP A  79
TRP A  85
TRP A  99
TYR A 101
 LVY  A 151 (-3.8A)
LVY  A 151 (-4.4A)
None
LVY  A 151 (-4.4A)
LVY  A 151 (-3.2A)
LVY  A 151 (-3.4A)
LVY  A 151 (-3.7A)
LVY  A 151 (-4.7A)
 0.28A 4v2zB-4v30A:
22.6		 4v2zB-4v30A:
100.00
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.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		4 ASN A 436
PRO A 435
MET A 239
TYR A 441
 None
 1.10A 4v2zB-4xkqA:
undetectable		 4v2zB-4xkqA:
12.66
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.
4y9s EPOXIDE HYDROLASE

(Solanum
tuberosum) 		PF00561
(Abhydrolase_1) 		4 ASN A 136
PRO A 137
MET A 139
TYR A 276
 None
 1.27A 4v2zB-4y9sA:
undetectable		 4v2zB-4y9sA:
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASN A 318
PHE A 414
TRP A 415
TYR A 337
 LGC  A 602 ( 4.4A)
None
None
None
 1.33A 4v2zB-4ynuA:
undetectable		 4v2zB-4ynuA:
12.27
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.
4yxt POLYKETIDE
BIOSYNTHESIS
3-HYDROXY-3-METHYLGL
UTARYL-ACP SYNTHASE
PKSG

(Bacillus
subtilis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 ASN A 296
PRO A 252
MET A 298
PHE A 253
 None
 1.09A 4v2zB-4yxtA:
undetectable		 4v2zB-4yxtA:
16.95
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.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		4 ASN A 366
PRO A 367
MET A 369
TYR A 343
 None
 1.50A 4v2zB-5allA:
undetectable		 4v2zB-5allA:
14.15
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.
5hxb PROTEIN CEREBLON

(Homo sapiens) 		no annotation 5 ASN Z 351
PRO Z 352
TRP Z 380
TRP Z 386
TRP Z 400
 85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
 0.47A 4v2zB-5hxbZ:
11.5		 4v2zB-5hxbZ:
16.50
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 PRO A  69
PHE A  70
TRP A 350
TYR A 932
 None
 1.44A 4v2zB-5ihrA:
undetectable		 4v2zB-5ihrA:
9.14
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.
5koh NITROGENASE FEMO
BETA SUBUNIT PROTEIN
NIFK

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 ASN B 440
PRO B 460
PHE B 459
TYR B 313
 None
 1.31A 4v2zB-5kohB:
undetectable		 4v2zB-5kohB:
13.49
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.
5mrt LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 4 ASN A  65
PRO A  64
PHE A  63
TYR A 198
 NA  A 305 (-3.4A)
None
None
None
 1.49A 4v2zB-5mrtA:
undetectable		 4v2zB-5mrtA:
21.54
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 ASN B 304
PRO B 273
PHE B 301
TYR B  74
 None
 1.45A 4v2zB-5swiB:
undetectable		 4v2zB-5swiB:
11.60
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.
5vg1 CHITINASE

(Jonesia
denitrificans) 		PF03067
(LPMO_10) 		4 PRO A 134
TRP A 114
TRP A 103
TYR A 116
 None
 1.10A 4v2zB-5vg1A:
undetectable		 4v2zB-5vg1A:
18.37
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL

(Mus musculus) 		no annotation 4 PRO B 157
MET B 126
PHE I 141
TYR I  52
 None
 1.40A 4v2zB-6g72B:
undetectable		 4v2zB-6g72B:
20.00