SIMILAR PATTERNS OF AMINO ACIDS FOR 2PGZ_D_COCD401_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.
1a0p SITE-SPECIFIC
RECOMBINASE XERD

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		4 TYR A 143
TYR A 279
GLN A 277
ILE A 278
 None
 1.46A 2pgzD-1a0pA:
0.0
2pgzE-1a0pA:
0.0		 2pgzD-1a0pA:
20.34
2pgzE-1a0pA:
20.34
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.
1ajk CIRCULARLY PERMUTED
(1-3,1-4)-BETA-D-GLU
CAN
4-GLUCANOHYDROLASE

(Paenibacillus
macerans) 		PF00722
(Glyco_hydro_16) 		4 TRP A  75
TYR A  72
TYR A  39
ILE A  23
 None
 1.11A 2pgzD-1ajkA:
0.0
2pgzE-1ajkA:
0.6		 2pgzD-1ajkA:
23.29
2pgzE-1ajkA:
23.29
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.
1axk GLUXYN-1

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11)
PF00722
(Glyco_hydro_16) 		4 TRP A 100
TYR A  97
TYR A  64
ILE A  48
 None
 1.07A 2pgzD-1axkA:
0.0
2pgzE-1axkA:
0.1		 2pgzD-1axkA:
23.08
2pgzE-1axkA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1by1 PROTEIN (PIX)

(Homo sapiens) 		PF00621
(RhoGEF) 		4 TYR A 103
TYR A 155
GLN A  68
ILE A  64
 None
 1.46A 2pgzD-1by1A:
undetectable
2pgzE-1by1A:
undetectable		 2pgzD-1by1A:
22.39
2pgzE-1by1A:
22.39
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.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		4 TYR A 106
TRP A  21
TYR A  12
GLN A  31
 None
 1.36A 2pgzD-1cm8A:
0.0
2pgzE-1cm8A:
undetectable		 2pgzD-1cm8A:
21.04
2pgzE-1cm8A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ed3 CLASS I MAJOR
HISTOCOMPATIBILITY
ANTIGEN RT1-AA

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 TYR A   7
TYR A  27
TYR A   9
GLN A  96
 None
 1.47A 2pgzD-1ed3A:
0.0
2pgzE-1ed3A:
2.1		 2pgzD-1ed3A:
19.16
2pgzE-1ed3A:
19.16
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.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 TYR A 188
TYR A 180
GLN A 179
ILE A 183
 None
 1.46A 2pgzD-1hrdA:
0.0
2pgzE-1hrdA:
0.0		 2pgzD-1hrdA:
19.07
2pgzE-1hrdA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 TYR A 805
TYR A 913
GLN A 249
ILE A 250
 None
 1.36A 2pgzD-1hwwA:
0.0
2pgzE-1hwwA:
0.0		 2pgzD-1hwwA:
12.64
2pgzE-1hwwA:
12.64
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.
1iyb RIBONUCLEASE

(Nicotiana
glutinosa) 		PF00445
(Ribonuclease_T2) 		4 TYR A 110
TRP A  76
TYR A  60
GLN A  73
 None
 1.35A 2pgzD-1iybA:
0.0
2pgzE-1iybA:
0.0		 2pgzD-1iybA:
21.46
2pgzE-1iybA:
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.
1kdu PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00051
(Kringle) 		4 TYR A  36
TRP A  62
TYR A  64
GLN A  73
 None
 1.07A 2pgzD-1kduA:
undetectable
2pgzE-1kduA:
undetectable		 2pgzD-1kduA:
19.05
2pgzE-1kduA:
19.05
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		4 TYR A  77
TRP A  38
TYR A  66
ILE A  52
 None
 1.47A 2pgzD-1lgyA:
0.0
2pgzE-1lgyA:
0.0		 2pgzD-1lgyA:
19.93
2pgzE-1lgyA:
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.
1ogp SULFITE OXIDASE

(Arabidopsis
thaliana) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 TYR A 171
TYR A 241
GLN A 261
ILE A 214
 MTQ  A1394 (-3.8A)
MTQ  A1394 (-4.3A)
None
MTQ  A1394 ( 4.5A)
 1.39A 2pgzD-1ogpA:
1.5
2pgzE-1ogpA:
undetectable		 2pgzD-1ogpA:
20.36
2pgzE-1ogpA:
20.36
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 TYR A 311
TYR A 717
GLN A 716
ILE A 770
 None
 1.39A 2pgzD-1rrhA:
undetectable
2pgzE-1rrhA:
undetectable		 2pgzD-1rrhA:
12.84
2pgzE-1rrhA:
12.84
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.
1urd MALTOSE-BINDING
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01547
(SBP_bac_1) 		4 TYR A 182
TYR A 191
GLN A 394
ILE A 393
 None
 1.36A 2pgzD-1urdA:
undetectable
2pgzE-1urdA:
undetectable		 2pgzD-1urdA:
18.59
2pgzE-1urdA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yel AT1G16640

(Arabidopsis
thaliana) 		PF02362
(B3) 		4 TYR A  45
TYR A  97
GLN A   8
ILE A  85
 None
 1.31A 2pgzD-1yelA:
undetectable
2pgzE-1yelA:
undetectable		 2pgzD-1yelA:
16.88
2pgzE-1yelA:
16.88
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.
1ynq OXIDOREDUCTASE

(Bacillus
halodurans) 		PF00248
(Aldo_ket_red) 		4 TYR A 292
TYR A 172
GLN A 187
ILE A 186
 None
None
SO4  A 306 ( 4.8A)
None
 1.37A 2pgzD-1ynqA:
undetectable
2pgzE-1ynqA:
undetectable		 2pgzD-1ynqA:
20.37
2pgzE-1ynqA:
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.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 TYR A 108
TYR A  73
GLN A  62
ILE A 102
 None
 1.47A 2pgzD-2d3aA:
undetectable
2pgzE-2d3aA:
undetectable		 2pgzD-2d3aA:
20.41
2pgzE-2d3aA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gx8 NIF3-RELATED PROTEIN

(Bacillus cereus) 		PF01784
(NIF3) 		4 TYR A 100
TYR A  18
GLN A 344
ILE A  45
 None
 1.20A 2pgzD-2gx8A:
undetectable
2pgzE-2gx8A:
undetectable		 2pgzD-2gx8A:
16.62
2pgzE-2gx8A:
16.62
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 TYR A 306
TYR A 712
GLN A 711
ILE A 765
 None
 1.37A 2pgzD-2iujA:
undetectable
2pgzE-2iujA:
undetectable		 2pgzD-2iujA:
13.60
2pgzE-2iujA:
13.60
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.
2lmd PROSPERO HOMEOBOX
PROTEIN 1

(Homo sapiens) 		PF05044
(HPD) 		4 TYR A  75
TYR A  68
GLN A 123
ILE A  92
 None
 1.14A 2pgzD-2lmdA:
undetectable
2pgzE-2lmdA:
undetectable		 2pgzD-2lmdA:
21.24
2pgzE-2lmdA:
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.
2qyv XAA-HIS DIPEPTIDASE

(Histophilus
somni) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 TYR A 472
TYR A 416
GLN A 418
ILE A 415
 None
 1.33A 2pgzD-2qyvA:
undetectable
2pgzE-2qyvA:
undetectable		 2pgzD-2qyvA:
19.02
2pgzE-2qyvA:
19.02
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.
2vla RESTRICTION
ENDONUCLEASE R.BPUJI

(Bacillus
pumilus) 		PF11564
(BpuJI_N) 		4 TRP A 273
TYR A 258
TYR A 276
GLN A 275
 None
 1.36A 2pgzD-2vlaA:
undetectable
2pgzE-2vlaA:
undetectable		 2pgzD-2vlaA:
21.48
2pgzE-2vlaA:
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.
2x6k PHOSPHOTIDYLINOSITOL
3 KINASE 59F

(Drosophila
melanogaster) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		4 TYR A 794
TYR A 732
GLN A 705
ILE A 709
 None
X6K  A1951 ( 4.3A)
None
None
 1.44A 2pgzD-2x6kA:
undetectable
2pgzE-2x6kA:
undetectable		 2pgzD-2x6kA:
14.51
2pgzE-2x6kA:
14.51
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 TRP A 250
TYR A 195
GLN A 192
ILE A 191
 None
 1.42A 2pgzD-2ybuA:
undetectable
2pgzE-2ybuA:
undetectable		 2pgzD-2ybuA:
20.74
2pgzE-2ybuA:
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 TYR A 189
TYR A 181
GLN A 180
ILE A 184
 None
 1.38A 2pgzD-2yfhA:
undetectable
2pgzE-2yfhA:
undetectable		 2pgzD-2yfhA:
18.79
2pgzE-2yfhA:
18.79
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.
2ztg ALANYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 TRP A 252
TYR A 338
TYR A  48
ILE A  51
 None
 0.81A 2pgzD-2ztgA:
undetectable
2pgzE-2ztgA:
undetectable		 2pgzD-2ztgA:
14.01
2pgzE-2ztgA:
14.01
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.
3bjx HALOCARBOXYLIC ACID
DEHALOGENASE DEHI

(Pseudomonas
putida) 		PF10778
(DehI) 		4 TYR A  48
TYR A 265
GLN A 266
ILE A 121
 None
 0.93A 2pgzD-3bjxA:
undetectable
2pgzE-3bjxA:
undetectable		 2pgzD-3bjxA:
19.87
2pgzE-3bjxA:
19.87
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 TYR A 227
TYR A 267
TYR A 259
ILE A 250
 None
None
FAD  A 902 (-4.8A)
None
 1.47A 2pgzD-3gsiA:
undetectable
2pgzE-3gsiA:
undetectable		 2pgzD-3gsiA:
13.14
2pgzE-3gsiA:
13.14
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.
3htk E3 SUMO-PROTEIN
LIGASE MMS21

(Saccharomyces
cerevisiae) 		PF11789
(zf-Nse) 		4 TYR C  76
TYR C  34
GLN C  36
ILE C  33
 None
 1.38A 2pgzD-3htkC:
undetectable
2pgzE-3htkC:
undetectable		 2pgzD-3htkC:
21.83
2pgzE-3htkC:
21.83
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.
3i4i 1,3-1,4-BETA-GLUCANA
SE

(uncultured
murine large
bowel bacterium
BAC 14) 		PF00722
(Glyco_hydro_16) 		4 TRP A 160
TYR A 157
TYR A 124
ILE A 108
 None
 1.16A 2pgzD-3i4iA:
undetectable
2pgzE-3i4iA:
undetectable		 2pgzD-3i4iA:
20.83
2pgzE-3i4iA:
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.
3jbh MYOSIN 2 HEAVY CHAIN
STRIATED MUSCLE

(Aphonopelma) 		PF00063
(Myosin_head)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 TRP A 591
TYR A 586
GLN A 546
ILE A 588
 None
 1.39A 2pgzD-3jbhA:
undetectable
2pgzE-3jbhA:
undetectable		 2pgzD-3jbhA:
7.68
2pgzE-3jbhA:
7.68
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.
3k6o UNCHARACTERIZED
PROTEIN DUF1344

(Bacteroides
vulgatus) 		PF12667
(NigD_N)
PF17415
(NigD_C) 		4 TYR A 102
TYR A  70
TYR A  83
ILE A  97
 None
SO4  A   8 (-4.7A)
None
None
 1.44A 2pgzD-3k6oA:
undetectable
2pgzE-3k6oA:
undetectable		 2pgzD-3k6oA:
21.29
2pgzE-3k6oA:
21.29
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		4 TYR A  99
TYR A 103
GLN A  16
ILE A  12
 None
 1.31A 2pgzD-3l7gA:
undetectable
2pgzE-3l7gA:
undetectable		 2pgzD-3l7gA:
18.38
2pgzE-3l7gA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3laq UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR

(Mus musculus) 		PF00051
(Kringle) 		4 TYR A  85
TRP A 113
TYR A 115
GLN A 125
 None
 1.12A 2pgzD-3laqA:
undetectable
2pgzE-3laqA:
undetectable		 2pgzD-3laqA:
15.45
2pgzE-3laqA:
15.45
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 156
TYR A 140
TYR A 189
ILE A 175
 None
 1.42A 2pgzD-3mqtA:
undetectable
2pgzE-3mqtA:
undetectable		 2pgzD-3mqtA:
19.42
2pgzE-3mqtA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 TYR A 110
TRP A 347
TYR A 163
ILE A 355
 None
OPY  A1001 (-4.1A)
None
None
 1.49A 2pgzD-3n0tA:
undetectable
2pgzE-3n0tA:
undetectable		 2pgzD-3n0tA:
20.25
2pgzE-3n0tA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5t DUF3298 FAMILY
PROTEIN

(Bacteroides
fragilis) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		4 TYR A 105
TYR A 137
TYR A 101
ILE A  59
 MPD  A 287 ( 4.5A)
None
None
None
 1.25A 2pgzD-3s5tA:
undetectable
2pgzE-3s5tA:
undetectable		 2pgzD-3s5tA:
19.93
2pgzE-3s5tA:
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.
3u73 UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00051
(Kringle) 		4 TYR A  84
TRP A 112
TYR A 114
GLN A 124
 None
 1.27A 2pgzD-3u73A:
undetectable
2pgzE-3u73A:
undetectable		 2pgzD-3u73A:
16.09
2pgzE-3u73A:
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 TYR A 926
TYR A 467
GLN A 469
ILE A 466
 None
 1.11A 2pgzD-3w9hA:
undetectable
2pgzE-3w9hA:
undetectable		 2pgzD-3w9hA:
12.52
2pgzE-3w9hA:
12.52
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		4 TRP A 252
TYR A 338
TYR A  48
ILE A  51
 None
 1.11A 2pgzD-3wqyA:
undetectable
2pgzE-3wqyA:
undetectable		 2pgzD-3wqyA:
12.50
2pgzE-3wqyA:
12.50
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 TYR A1190
TYR A1204
TYR A1222
GLN A1210
 None
 1.48A 2pgzD-4aygA:
undetectable
2pgzE-4aygA:
undetectable		 2pgzD-4aygA:
13.08
2pgzE-4aygA:
13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		4 TYR A 287
TYR A 496
GLN A 333
ILE A 328
 None
 1.46A 2pgzD-4bl3A:
undetectable
2pgzE-4bl3A:
undetectable		 2pgzD-4bl3A:
16.54
2pgzE-4bl3A:
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.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 TYR A 365
TRP A 466
TYR A 301
ILE A 387
 None
 1.38A 2pgzD-4cotA:
undetectable
2pgzE-4cotA:
undetectable		 2pgzD-4cotA:
18.97
2pgzE-4cotA:
18.97
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.
4ffk SUPEROXIDE DISMUTASE

(Acidilobus
saccharovorans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A  95
TRP A 143
TYR A 184
GLN A 159
 None
 1.49A 2pgzD-4ffkA:
undetectable
2pgzE-4ffkA:
undetectable		 2pgzD-4ffkA:
21.51
2pgzE-4ffkA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gkl ALPHA-AMYLASE

(Thermotoga
neapolitana) 		PF00128
(Alpha-amylase) 		4 TYR A 232
TRP A 273
TYR A 216
ILE A 223
 None
 1.34A 2pgzD-4gklA:
undetectable
2pgzE-4gklA:
undetectable		 2pgzD-4gklA:
19.80
2pgzE-4gklA:
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.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		4 TYR A 246
TYR A 326
GLN A 327
ILE A 325
 None
 1.38A 2pgzD-4haqA:
undetectable
2pgzE-4haqA:
undetectable		 2pgzD-4haqA:
19.79
2pgzE-4haqA:
19.79
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.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		4 TYR A 183
TRP A 165
TYR A 141
ILE A 150
 None
 1.44A 2pgzD-4m8rA:
undetectable
2pgzE-4m8rA:
undetectable		 2pgzD-4m8rA:
20.71
2pgzE-4m8rA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ogq APOCYTOCHROME F

(Nostoc sp. PCC
7120) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		4 TYR C   9
TYR C 106
GLN C 104
ILE C 115
 None
 1.21A 2pgzD-4ogqC:
2.7
2pgzE-4ogqC:
2.6		 2pgzD-4ogqC:
20.24
2pgzE-4ogqC:
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		4 TRP A 229
TYR A 338
TYR A 226
ILE A 253
 2WS  A 601 (-4.0A)
2WS  A 601 (-4.1A)
2WS  A 601 (-4.9A)
None
 1.49A 2pgzD-4pviA:
undetectable
2pgzE-4pviA:
undetectable		 2pgzD-4pviA:
20.58
2pgzE-4pviA:
20.58
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.
4thi PROTEIN (THIAMINASE
I)

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		4 TYR A 183
TYR A 180
GLN A 264
ILE A 266
 None
 1.23A 2pgzD-4thiA:
undetectable
2pgzE-4thiA:
undetectable		 2pgzD-4thiA:
21.04
2pgzE-4thiA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tw5 EPS1P

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin) 		4 TYR A 277
TYR A 284
GLN A 216
ILE A 213
 None
 1.21A 2pgzD-4tw5A:
undetectable
2pgzE-4tw5A:
undetectable		 2pgzD-4tw5A:
20.75
2pgzE-4tw5A:
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.
4w9u ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 TYR A  82
TYR A 109
TYR A 254
ILE A 326
 None
 1.35A 2pgzD-4w9uA:
undetectable
2pgzE-4w9uA:
undetectable		 2pgzD-4w9uA:
23.06
2pgzE-4w9uA:
23.06
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.
4y7p ALKALINE D-PEPTIDASE

(Bacillus cereus) 		PF00144
(Beta-lactamase) 		4 TYR A 171
TRP A 169
TYR A 176
GLN A 121
 None
 1.45A 2pgzD-4y7pA:
undetectable
2pgzE-4y7pA:
undetectable		 2pgzD-4y7pA:
19.28
2pgzE-4y7pA:
19.28
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.
4yh8 SPLICING FACTOR U2AF
23 KDA SUBUNIT
SPLICING FACTOR U2AF
59 KDA SUBUNIT

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1)
PF00642
(zf-CCCH)
no annotation 		4 TRP B 128
TYR A  77
GLN A 183
ILE B 125
 None
 1.33A 2pgzD-4yh8B:
undetectable
2pgzE-4yh8B:
undetectable		 2pgzD-4yh8B:
21.09
2pgzE-4yh8B:
21.09
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.
4ztc AMINOTRANSFERASE
HOMOLOG

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		4 TYR A 178
TYR A  44
TYR A 180
ILE A 186
 None
 1.29A 2pgzD-4ztcA:
undetectable
2pgzE-4ztcA:
undetectable		 2pgzD-4ztcA:
19.11
2pgzE-4ztcA:
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.
4zwo ORGANOPHOSPHATE
ANHYDROLASE/PROLIDAS
E

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		4 TYR A  99
TYR A 103
GLN A  16
ILE A  12
 None
 1.28A 2pgzD-4zwoA:
undetectable
2pgzE-4zwoA:
undetectable		 2pgzD-4zwoA:
19.41
2pgzE-4zwoA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dag PROTEIN AF-10

(Homo sapiens) 		PF13831
(PHD_2)
PF13832
(zf-HC5HC2H_2) 		4 TRP A  66
TYR A  56
GLN A  53
ILE A  58
 None
 1.49A 2pgzD-5dagA:
undetectable
2pgzE-5dagA:
undetectable		 2pgzD-5dagA:
21.29
2pgzE-5dagA:
21.29
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.
5gan PRE-MRNA-PROCESSING
FACTOR 31

(Saccharomyces
cerevisiae) 		PF01798
(Nop)
PF09785
(Prp31_C) 		4 TYR F 120
TYR F 137
GLN F 136
ILE F 131
 None
 1.37A 2pgzD-5ganF:
undetectable
2pgzE-5ganF:
undetectable		 2pgzD-5ganF:
19.72
2pgzE-5ganF:
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 TYR B 844
TYR B 846
GLN B 870
ILE B 869
 NAG  B1304 ( 4.9A)
None
None
None
 1.21A 2pgzD-5gjeB:
undetectable
2pgzE-5gjeB:
undetectable		 2pgzD-5gjeB:
20.33
2pgzE-5gjeB:
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.
5gx8 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Streptobacillus
moniliformis) 		PF13416
(SBP_bac_8) 		4 TRP A 329
TYR A 399
TYR A 344
ILE A  86
 None
 1.32A 2pgzD-5gx8A:
undetectable
2pgzE-5gx8A:
undetectable		 2pgzD-5gx8A:
20.48
2pgzE-5gx8A:
20.48
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.
5jbo BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		4 TRP A  37
TYR A 181
TYR A  40
GLN A 130
 None
 1.22A 2pgzD-5jboA:
undetectable
2pgzE-5jboA:
undetectable		 2pgzD-5jboA:
17.33
2pgzE-5jboA:
17.33
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.
5ll1 URICASE

(Danio rerio) 		PF01014
(Uricase) 		4 TRP A 192
TYR A 189
GLN A 237
ILE A 250
 None
 1.27A 2pgzD-5ll1A:
undetectable
2pgzE-5ll1A:
undetectable		 2pgzD-5ll1A:
20.60
2pgzE-5ll1A:
20.60
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN7

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF10602
(RPN7) 		4 TYR R 321
TYR R  24
TYR R 252
ILE R 249
 None
 1.36A 2pgzD-5mpdR:
undetectable
2pgzE-5mpdR:
undetectable		 2pgzD-5mpdR:
18.74
2pgzE-5mpdR:
18.74
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.
5obt VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME

(Arabidopsis
thaliana) 		no annotation 4 TYR A 263
TYR A  70
GLN A  76
ILE A 104
 None
 1.46A 2pgzD-5obtA:
undetectable
2pgzE-5obtA:
undetectable		 2pgzD-5obtA:
16.00
2pgzE-5obtA:
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.
5u6o POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 1

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF08412
(Ion_trans_N) 		4 TYR A 435
TYR A 407
GLN A 406
ILE A 443
 None
 1.02A 2pgzD-5u6oA:
undetectable
2pgzE-5u6oA:
undetectable		 2pgzD-5u6oA:
16.04
2pgzE-5u6oA:
16.04
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.
5uj8 ORIGIN RECOGNITION
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF04084
(ORC2) 		4 TYR E 294
TRP E 301
TYR E 314
ILE E 311
 None
 1.42A 2pgzD-5uj8E:
undetectable
2pgzE-5uj8E:
undetectable		 2pgzD-5uj8E:
21.08
2pgzE-5uj8E:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uz5 PRE-MRNA-PROCESSING
FACTOR 39

(Saccharomyces
cerevisiae) 		no annotation 4 TYR E 330
TRP E 362
TYR E 358
ILE E 361
 None
 1.44A 2pgzD-5uz5E:
undetectable
2pgzE-5uz5E:
undetectable		 2pgzD-5uz5E:
15.92
2pgzE-5uz5E:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 TYR A 648
TYR A 698
GLN A 756
ILE A 694
 NAG  A1004 (-4.7A)
None
None
None
 1.32A 2pgzD-5wvgA:
undetectable
2pgzE-5wvgA:
undetectable		 2pgzD-5wvgA:
18.93
2pgzE-5wvgA:
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.
5xfs PE FAMILY PROTEIN
PE8
PPE FAMILY PROTEIN
PPE15

(Mycobacterium
tuberculosis) 		PF00823
(PPE)
no annotation 		4 TYR A  62
TRP B  31
TYR A  58
GLN B  89
 None
 1.35A 2pgzD-5xfsA:
undetectable
2pgzE-5xfsA:
undetectable		 2pgzD-5xfsA:
19.05
2pgzE-5xfsA:
19.05
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.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER

(Yersinia pestis) 		no annotation 4 TYR A  29
TYR A 342
TYR A  61
ILE A  60
 None
None
NA  A 401 (-4.3A)
None
 1.46A 2pgzD-6b2yA:
undetectable
2pgzE-6b2yA:
undetectable		 2pgzD-6b2yA:
20.35
2pgzE-6b2yA:
20.35
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.
6bwf -

(-) 		no annotation 4 TYR A 517
TRP A 626
TYR A 550
ILE A 547
 None
 1.41A 2pgzD-6bwfA:
undetectable
2pgzE-6bwfA:
undetectable		 2pgzD-6bwfA:
undetectable
2pgzE-6bwfA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 4 TYR A 236
TYR A 239
TYR A 231
ILE A 226
 None
 1.39A 2pgzD-6c26A:
undetectable
2pgzE-6c26A:
undetectable		 2pgzD-6c26A:
19.72
2pgzE-6c26A:
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 4 TYR D 608
TYR D 599
GLN D 598
ILE D 579
 None
 1.47A 2pgzD-6eq8D:
undetectable
2pgzE-6eq8D:
undetectable		 2pgzD-6eq8D:
16.67
2pgzE-6eq8D:
16.67