SIMILAR PATTERNS OF AMINO ACIDS FOR 1S3Z_B_RIOB501_0

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.
1a5i PLASMINOGEN
ACTIVATOR

(Desmodus
rotundus) 		PF00089
(Trypsin) 		4 VAL A 231
ARG A   4
TRP A  29
HIS A  27
 None
 1.18A 1s3zA-1a5iA:
undetectable
1s3zB-1a5iA:
undetectable		 1s3zA-1a5iA:
21.48
1s3zB-1a5iA:
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.
1a88 CHLOROPEROXIDASE L

(Streptomyces
lividans) 		PF00561
(Abhydrolase_1) 		4 GLU A 101
VAL A  78
TRP A  37
HIS A  95
 None
 1.30A 1s3zA-1a88A:
0.5
1s3zB-1a88A:
0.5		 1s3zA-1a88A:
20.66
1s3zB-1a88A:
20.66
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.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 GLU A  80
TRP A  82
GLU A 152
ASP A  89
 None
 1.10A 1s3zA-1auaA:
1.7
1s3zB-1auaA:
0.9		 1s3zA-1auaA:
20.00
1s3zB-1auaA:
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.
1chk CHITOSANASE

(Streptomyces
sp. N174) 		PF01374
(Glyco_hydro_46) 		4 GLU A  22
VAL A 148
GLU A 209
ASP A 145
 None
 1.09A 1s3zA-1chkA:
undetectable
1s3zB-1chkA:
undetectable		 1s3zA-1chkA:
22.49
1s3zB-1chkA:
22.49
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.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		4 TYR A 157
VAL A 164
HIS A 223
GLU A 158
 None
None
CIT  A 526 (-3.6A)
None
 1.23A 1s3zA-1f8rA:
undetectable
1s3zB-1f8rA:
undetectable		 1s3zA-1f8rA:
14.60
1s3zB-1f8rA:
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.
1fp3 N-ACYL-D-GLUCOSAMINE
2-EPIMERASE

(Sus scrofa) 		PF07221
(GlcNAc_2-epim) 		4 VAL A 272
ARG A 385
TRP A 254
GLU A 190
 None
 1.27A 1s3zA-1fp3A:
undetectable
1s3zB-1fp3A:
undetectable		 1s3zA-1fp3A:
18.25
1s3zB-1fp3A:
18.25
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.
1fp9 4-ALPHA-GLUCANOTRANS
FERASE

(Thermus
thermophilus) 		PF02446
(Glyco_hydro_77) 		4 GLU A  28
VAL A  24
GLU A  79
ASP A  73
 None
 1.00A 1s3zA-1fp9A:
undetectable
1s3zB-1fp9A:
undetectable		 1s3zA-1fp9A:
15.14
1s3zB-1fp9A:
15.14
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.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		4 VAL A  58
HIS A 307
GLU A 219
ASP A 112
 None
 1.27A 1s3zA-1gcyA:
1.1
1s3zB-1gcyA:
undetectable		 1s3zA-1gcyA:
14.53
1s3zB-1gcyA:
14.53
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		4 GLU A 161
VAL A 240
ARG A 867
ASP A 239
 None
 1.22A 1s3zA-1h7wA:
0.7
1s3zB-1h7wA:
undetectable		 1s3zA-1h7wA:
10.34
1s3zB-1h7wA:
10.34
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		4 GLU A 360
TRP A 378
GLU A 327
ASP A  16
 None
 1.30A 1s3zA-1j2bA:
undetectable
1s3zB-1j2bA:
undetectable		 1s3zA-1j2bA:
13.60
1s3zB-1j2bA:
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 VAL A  60
ARG A 317
GLU A 424
ASP A  58
 None
BGC  A6003 (-2.7A)
None
None
 1.12A 1s3zA-1js4A:
undetectable
1s3zB-1js4A:
undetectable		 1s3zA-1js4A:
13.85
1s3zB-1js4A:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		4 VAL A  59
ARG A 305
GLU A 412
ASP A  57
 None
None
None
SO4  A 450 ( 4.9A)
 1.04A 1s3zA-1ks8A:
undetectable
1s3zB-1ks8A:
undetectable		 1s3zA-1ks8A:
14.75
1s3zB-1ks8A:
14.75
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.
1m32 2-AMINOETHYLPHOSPHON
ATE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00266
(Aminotran_5) 		4 VAL A  69
ARG A 339
GLU A 141
ASP A 167
 None
POA  A4601 (-3.4A)
None
PLP  A4401 (-2.9A)
 1.30A 1s3zA-1m32A:
undetectable
1s3zB-1m32A:
undetectable		 1s3zA-1m32A:
18.13
1s3zB-1m32A:
18.13
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.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 TYR A 334
VAL A 271
ARG A 120
HIS A 397
 None
 1.23A 1s3zA-1mb9A:
undetectable
1s3zB-1mb9A:
undetectable		 1s3zA-1mb9A:
16.54
1s3zB-1mb9A:
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 VAL A 599
ARG A 704
GLU A 548
ASP A 643
 None
 1.27A 1s3zA-1ofeA:
undetectable
1s3zB-1ofeA:
undetectable		 1s3zA-1ofeA:
8.93
1s3zB-1ofeA:
8.93
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.
1q3k CREATININASE

(Pseudomonas
putida) 		PF02633
(Creatininase) 		4 GLU A 183
VAL A  44
GLU A 122
ASP A  45
 ZN  A 301 (-2.1A)
None
ZN  A 300 ( 4.5A)
ZN  A 301 ( 2.3A)
 1.22A 1s3zA-1q3kA:
undetectable
1s3zB-1q3kA:
undetectable		 1s3zA-1q3kA:
20.75
1s3zB-1q3kA:
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.
1qhb HALOPEROXIDASE

(Corallina
officinalis) 		PF01569
(PAP2) 		4 ARG A 406
HIS A 478
GLU A 473
ASP A 306
 PO4  A3000 ( 2.7A)
PO4  A3000 (-4.5A)
None
None
 0.88A 1s3zA-1qhbA:
undetectable
1s3zB-1qhbA:
undetectable		 1s3zA-1qhbA:
15.08
1s3zB-1qhbA:
15.08
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		4 VAL A 237
TRP A 272
HIS A 325
GLU A 278
 None
None
CU  A 603 ( 3.4A)
None
 1.23A 1s3zA-1qleA:
undetectable
1s3zB-1qleA:
undetectable		 1s3zA-1qleA:
13.48
1s3zB-1qleA:
13.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s5k AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE

(Salmonella
enterica) 		PF00583
(Acetyltransf_1) 		4 ARG A  18
TRP A  22
GLU A  79
ASP A 115
 None
 0.39A 1s3zA-1s5kA:
26.2
1s3zB-1s5kA:
26.8		 1s3zA-1s5kA:
100.00
1s3zB-1s5kA:
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		4 GLU C 226
VAL C 280
ARG C 159
ASP C 279
 None
 1.21A 1s3zA-1wa5C:
undetectable
1s3zB-1wa5C:
undetectable		 1s3zA-1wa5C:
9.60
1s3zB-1wa5C:
9.60
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		4 GLU A 630
VAL A 634
HIS A  62
GLU A  86
 None
 1.23A 1s3zA-1x9sA:
undetectable
1s3zB-1x9sA:
undetectable		 1s3zA-1x9sA:
12.61
1s3zB-1x9sA:
12.61
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.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		4 GLU A 102
VAL A  79
TRP A  38
HIS A  96
 None
 1.28A 1s3zA-1zoiA:
undetectable
1s3zB-1zoiA:
undetectable		 1s3zA-1zoiA:
24.38
1s3zB-1zoiA:
24.38
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		4 VAL A  58
HIS A 307
GLU A 219
ASP A 112
 None
 1.27A 1s3zA-2amgA:
1.1
1s3zB-2amgA:
1.2		 1s3zA-2amgA:
16.99
1s3zB-2amgA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c27 MYCOTHIOL SYNTHASE

(Mycobacterium
tuberculosis) 		PF00583
(Acetyltransf_1) 		4 TYR A 282
VAL A  31
ARG A 131
TRP A 110
 MA8  A1312 (-4.4A)
None
None
MA8  A1312 (-3.9A)
 1.24A 1s3zA-2c27A:
11.3
1s3zB-2c27A:
11.5		 1s3zA-2c27A:
19.55
1s3zB-2c27A:
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.
2c4t 5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE

(Streptomyces
cattleya) 		PF01887
(SAM_adeno_trans) 		4 TYR A 272
GLU A 133
VAL A  60
ASP A  61
 None
 1.12A 1s3zA-2c4tA:
undetectable
1s3zB-2c4tA:
undetectable		 1s3zA-2c4tA:
17.80
1s3zB-2c4tA:
17.80
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		4 TYR A 118
VAL A  55
ARG A  27
ASP A 126
 None
 1.09A 1s3zA-2c7bA:
undetectable
1s3zB-2c7bA:
undetectable		 1s3zA-2c7bA:
19.81
1s3zB-2c7bA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		4 GLU A  72
VAL A  38
GLU A 199
ASP A 257
 None
 1.29A 1s3zA-2cw6A:
undetectable
1s3zB-2cw6A:
undetectable		 1s3zA-2cw6A:
19.67
1s3zB-2cw6A:
19.67
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.
2du3 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01409
(tRNA-synt_2d) 		4 GLU A 389
VAL A 385
GLU A 433
ASP A 466
 None
 1.27A 1s3zA-2du3A:
undetectable
1s3zB-2du3A:
undetectable		 1s3zA-2du3A:
14.34
1s3zB-2du3A:
14.34
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		4 GLU A  46
VAL A  12
GLU A 173
ASP A 231
 None
 1.24A 1s3zA-2ftpA:
undetectable
1s3zB-2ftpA:
undetectable		 1s3zA-2ftpA:
19.87
1s3zB-2ftpA:
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 GLU A 372
ARG A 175
GLU A 159
ASP A 365
 None
PTR  A 527 ( 3.3A)
None
None
 1.17A 1s3zA-2hckA:
undetectable
1s3zB-2hckA:
undetectable		 1s3zA-2hckA:
15.38
1s3zB-2hckA:
15.38
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.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 VAL A  13
ARG A 275
GLU A 247
ASP A  12
 None
 1.20A 1s3zA-2nx9A:
undetectable
1s3zB-2nx9A:
0.8		 1s3zA-2nx9A:
17.14
1s3zB-2nx9A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q4x SEED MATURATION
PROTEIN PM36 HOMOLOG

(Arabidopsis
thaliana) 		PF03070
(TENA_THI-4) 		4 GLU A 210
VAL A 142
TRP A  43
GLU A  88
 HMH  A1300 (-2.8A)
None
None
HMH  A1300 ( 4.8A)
 1.02A 1s3zA-2q4xA:
undetectable
1s3zB-2q4xA:
undetectable		 1s3zA-2q4xA:
22.51
1s3zB-2q4xA:
22.51
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.
2v8o FLAVIVIRIN PROTEASE
NS3

(Murray Valley
encephalitis
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 VAL A 601
HIS A 268
GLU A 491
ASP A 598
 None
 1.29A 1s3zA-2v8oA:
undetectable
1s3zB-2v8oA:
undetectable		 1s3zA-2v8oA:
17.45
1s3zB-2v8oA:
17.45
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.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 VAL A 251
ARG A 600
HIS A 436
GLU A 430
 None
SO4  A1695 (-3.6A)
SO4  A1695 (-3.8A)
None
 1.11A 1s3zA-2vxoA:
undetectable
1s3zB-2vxoA:
undetectable		 1s3zA-2vxoA:
14.26
1s3zB-2vxoA:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w1z ROP2

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		4 GLU A 429
ARG A 260
HIS A 282
ASP A 409
 None
 1.09A 1s3zA-2w1zA:
undetectable
1s3zB-2w1zA:
undetectable		 1s3zA-2w1zA:
17.39
1s3zB-2w1zA:
17.39
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 VAL A  61
ARG A 318
GLU A 423
ASP A  59
 None
 0.98A 1s3zA-2xfgA:
undetectable
1s3zB-2xfgA:
undetectable		 1s3zA-2xfgA:
16.44
1s3zB-2xfgA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 VAL A 121
ARG A 394
GLU A 496
ASP A 119
 None
 1.11A 1s3zA-2yikA:
undetectable
1s3zB-2yikA:
undetectable		 1s3zA-2yikA:
13.76
1s3zB-2yikA:
13.76
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.
2yzm D-ALANINE--D-ALANINE
LIGASE

(Thermus
thermophilus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 GLU A 189
VAL A 131
ARG A 268
GLU A 197
 None
 1.11A 1s3zA-2yzmA:
undetectable
1s3zB-2yzmA:
undetectable		 1s3zA-2yzmA:
21.60
1s3zB-2yzmA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0f PUTATIVE
PHOSPHOGLUCOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 GLU A 348
VAL A 346
GLU A 500
ASP A 336
 None
 1.22A 1s3zA-2z0fA:
undetectable
1s3zB-2z0fA:
undetectable		 1s3zA-2z0fA:
13.00
1s3zB-2z0fA:
13.00
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.
2z83 HELICASE/NUCLEOSIDE
TRIPHOSPHATASE

(Japanese
encephalitis
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 VAL A 601
HIS A 268
GLU A 491
ASP A 598
 None
 1.22A 1s3zA-2z83A:
undetectable
1s3zB-2z83A:
undetectable		 1s3zA-2z83A:
18.59
1s3zB-2z83A:
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.
3brq HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ASCG

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 TYR A  33
VAL A  24
ARG A 155
HIS A 121
 FRU  A 701 ( 4.0A)
None
FRU  A 701 ( 4.6A)
None
 1.16A 1s3zA-3brqA:
undetectable
1s3zB-3brqA:
undetectable		 1s3zA-3brqA:
19.67
1s3zB-3brqA:
19.67
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.
3c1o EUGENOL SYNTHASE

(Clarkia breweri) 		PF05368
(NmrA) 		4 TYR A 147
GLU A 139
ARG A 117
GLU A 115
 None
 1.23A 1s3zA-3c1oA:
undetectable
1s3zB-3c1oA:
undetectable		 1s3zA-3c1oA:
19.12
1s3zB-3c1oA:
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.
3e5b ISOCITRATE LYASE

(Brucella
abortus) 		PF00463
(ICL) 		4 GLU A 149
HIS A 199
GLU A 281
ASP A 101
 None
 1.20A 1s3zA-3e5bA:
undetectable
1s3zB-3e5bA:
undetectable		 1s3zA-3e5bA:
17.05
1s3zB-3e5bA:
17.05
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.
3efa PUTATIVE
ACETYLTRANSFERASE

(Lactobacillus
plantarum) 		PF13673
(Acetyltransf_10) 		4 GLU A 131
VAL A 136
ARG A  19
GLU A  62
 None
 1.25A 1s3zA-3efaA:
12.7
1s3zB-3efaA:
12.6		 1s3zA-3efaA:
19.16
1s3zB-3efaA:
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 TYR A 217
VAL A 237
HIS A 546
ASP A 801
 None
None
MD1  A1245 (-4.0A)
None
 1.18A 1s3zA-3egwA:
undetectable
1s3zB-3egwA:
undetectable		 1s3zA-3egwA:
8.52
1s3zB-3egwA:
8.52
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.
3flb RIFR

(Amycolatopsis
mediterranei) 		PF00975
(Thioesterase) 		4 GLU A 178
VAL A 134
GLU A 207
ASP A 132
 None
 1.12A 1s3zA-3flbA:
undetectable
1s3zB-3flbA:
undetectable		 1s3zA-3flbA:
19.85
1s3zB-3flbA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3flu DIHYDRODIPICOLINATE
SYNTHASE

(Neisseria
meningitidis) 		PF00701
(DHDPS) 		4 VAL A 256
ARG A  70
HIS A  66
GLU A  33
 None
 1.07A 1s3zA-3fluA:
undetectable
1s3zB-3fluA:
undetectable		 1s3zA-3fluA:
19.60
1s3zB-3fluA:
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.
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00750
(tRNA-synt_1d)
PF05746
(DALR_1) 		4 TYR A 149
ARG A 307
GLU A 109
ASP A 297
 None
None
None
GOL  A 539 (-3.4A)
 1.18A 1s3zA-3fnrA:
undetectable
1s3zB-3fnrA:
undetectable		 1s3zA-3fnrA:
14.81
1s3zB-3fnrA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		4 TYR A 281
GLU A 289
VAL A 286
HIS A 133
 None
 1.30A 1s3zA-3hdjA:
undetectable
1s3zB-3hdjA:
undetectable		 1s3zA-3hdjA:
18.65
1s3zB-3hdjA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 329
HIS A 279
GLU A 252
ASP A 200
 GLU  A 329 ( 0.6A)
HIS  A 279 ( 1.0A)
GLU  A 252 ( 0.6A)
ASP  A 200 ( 0.6A)
 1.22A 1s3zA-3i4kA:
1.9
1s3zB-3i4kA:
1.9		 1s3zA-3i4kA:
17.51
1s3zB-3i4kA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jur EXO-POLY-ALPHA-D-GAL
ACTURONOSIDASE

(Thermotoga
maritima) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 TYR A 362
GLU A 304
ARG A 324
HIS A 296
 None
 1.24A 1s3zA-3jurA:
undetectable
1s3zB-3jurA:
undetectable		 1s3zA-3jurA:
17.54
1s3zB-3jurA:
17.54
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.
3ky9 PROTO-ONCOGENE VAV

(Homo sapiens) 		PF00130
(C1_1)
PF00169
(PH)
PF00621
(RhoGEF)
PF11971
(CAMSAP_CH) 		4 VAL A 447
ARG A 417
GLU A 415
ASP A 445
 None
 1.24A 1s3zA-3ky9A:
undetectable
1s3zB-3ky9A:
undetectable		 1s3zA-3ky9A:
14.02
1s3zB-3ky9A:
14.02
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.
3owa ACYL-COA
DEHYDROGENASE

(Bacillus
anthracis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLU A  28
VAL A 594
HIS A  34
GLU A 100
 None
 1.27A 1s3zA-3owaA:
undetectable
1s3zB-3owaA:
undetectable		 1s3zA-3owaA:
14.43
1s3zB-3owaA:
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.
3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16

(Mycolicibacterium
smegmatis) 		PF00722
(Glyco_hydro_16) 		4 TYR A  81
VAL A 236
TRP A 138
GLU A  64
 None
None
GOL  A 278 (-3.7A)
PG4  A 270 (-3.4A)
 1.28A 1s3zA-3rq0A:
undetectable
1s3zB-3rq0A:
undetectable		 1s3zA-3rq0A:
19.55
1s3zB-3rq0A:
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.
3shm CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 TYR A 414
GLU A 417
VAL A 419
TRP A 619
 None
 1.25A 1s3zA-3shmA:
undetectable
1s3zB-3shmA:
undetectable		 1s3zA-3shmA:
14.26
1s3zB-3shmA:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		4 GLU A 181
ARG A  53
GLU A 192
ASP A 183
 None
 1.27A 1s3zA-3smtA:
undetectable
1s3zB-3smtA:
undetectable		 1s3zA-3smtA:
14.69
1s3zB-3smtA:
14.69
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 VAL A 221
ARG A 350
HIS A 348
GLU A 212
 None
 1.27A 1s3zA-3tm5A:
undetectable
1s3zB-3tm5A:
undetectable		 1s3zA-3tm5A:
16.49
1s3zB-3tm5A:
16.49
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.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		4 TYR A  91
GLU A  47
GLU A 101
ASP A 105
 None
 1.27A 1s3zA-3upnA:
undetectable
1s3zB-3upnA:
undetectable		 1s3zA-3upnA:
16.34
1s3zB-3upnA:
16.34
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		4 VAL A  79
ARG A 324
GLU A 431
ASP A  77
 None
GOL  A 509 (-3.1A)
GOL  A 505 ( 3.1A)
None
 1.01A 1s3zA-3wc3A:
undetectable
1s3zB-3wc3A:
undetectable		 1s3zA-3wc3A:
14.69
1s3zB-3wc3A:
14.69
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 GLU A 923
VAL A 914
ARG A 667
GLU A 629
 None
 1.27A 1s3zA-3zhrA:
undetectable
1s3zB-3zhrA:
undetectable		 1s3zA-3zhrA:
11.11
1s3zB-3zhrA:
11.11
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.
3zzi ACETYLGLUTAMATE
KINASE

(Saccharomyces
cerevisiae) 		PF00696
(AA_kinase)
PF04768
(NAT) 		4 TYR A 389
VAL A 425
GLU A 384
ASP A 376
 None
 1.22A 1s3zA-3zziA:
10.9
1s3zB-3zziA:
11.2		 1s3zA-3zziA:
16.78
1s3zB-3zziA:
16.78
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		4 VAL A 234
HIS A 103
GLU A 526
ASP A 221
 None
 1.17A 1s3zA-4bbwA:
undetectable
1s3zB-4bbwA:
undetectable		 1s3zA-4bbwA:
14.31
1s3zB-4bbwA:
14.31
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.
4d4z DEOXYHYPUSINE
HYDROXYLASE

(Homo sapiens) 		PF13646
(HEAT_2) 		4 TYR A 211
HIS A  56
GLU A 208
ASP A 148
 GOL  A 305 ( 3.6A)
FE  A 302 (-3.4A)
GOL  A 305 (-2.6A)
None
 1.27A 1s3zA-4d4zA:
undetectable
1s3zB-4d4zA:
undetectable		 1s3zA-4d4zA:
18.67
1s3zB-4d4zA:
18.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e8o AAC(6')-IH PROTEIN

(Acinetobacter
baumannii) 		PF00583
(Acetyltransf_1) 		4 ARG A  18
TRP A  22
GLU A  79
ASP A 115
 None
None
None
CL  A 201 ( 3.9A)
 0.51A 1s3zA-4e8oA:
23.0
1s3zB-4e8oA:
23.0		 1s3zA-4e8oA:
46.43
1s3zB-4e8oA:
46.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f0y AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1

(Acinetobacter
haemolyticus) 		PF00583
(Acetyltransf_1) 		4 ARG A  18
TRP A  22
GLU A  78
ASP A 114
 GOL  A 203 ( 4.4A)
GOL  A 203 (-3.4A)
GOL  A 203 (-3.8A)
MG  A 201 (-3.1A)
 0.69A 1s3zA-4f0yA:
23.0
1s3zB-4f0yA:
23.3		 1s3zA-4f0yA:
43.79
1s3zB-4f0yA:
43.79
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.
4gv1 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 GLU A 341
VAL A 338
ARG A 241
GLU A 234
 None
None
None
GOL  A 505 ( 2.9A)
 1.24A 1s3zA-4gv1A:
undetectable
1s3zB-4gv1A:
undetectable		 1s3zA-4gv1A:
18.37
1s3zB-4gv1A:
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.
4ilq CT771

(Chlamydia
trachomatis) 		PF00293
(NUDIX) 		4 GLU A   7
VAL A  90
HIS A  33
ASP A  84
 SO4  A 201 ( 4.3A)
None
None
None
 1.25A 1s3zA-4ilqA:
undetectable
1s3zB-4ilqA:
undetectable		 1s3zA-4ilqA:
22.56
1s3zB-4ilqA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4km3 METHIONINE
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF00557
(Peptidase_M24) 		4 VAL A 100
HIS A 252
GLU A 232
ASP A 136
 None
 1.17A 1s3zA-4km3A:
undetectable
1s3zB-4km3A:
undetectable		 1s3zA-4km3A:
19.79
1s3zB-4km3A:
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.
4p9k TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Verminephrobacter
eiseniae) 		PF03480
(DctP) 		4 GLU A 154
VAL A 281
ARG A 121
ASP A 282
 None
 1.04A 1s3zA-4p9kA:
undetectable
1s3zB-4p9kA:
undetectable		 1s3zA-4p9kA:
20.30
1s3zB-4p9kA:
20.30
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.
4p9k TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Verminephrobacter
eiseniae) 		PF03480
(DctP) 		4 GLU A 154
VAL A 281
HIS A 125
ASP A 282
 None
 1.14A 1s3zA-4p9kA:
undetectable
1s3zB-4p9kA:
undetectable		 1s3zA-4p9kA:
20.30
1s3zB-4p9kA:
20.30
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.
4pas GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1
GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 2

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 GLU A 789
VAL A 792
HIS B 797
ASP B 808
 GLU  A 789 ( 0.6A)
VAL  A 792 ( 0.6A)
HIS  B 797 ( 1.0A)
ASP  B 808 ( 0.6A)
 1.10A 1s3zA-4pasA:
undetectable
1s3zB-4pasA:
undetectable		 1s3zA-4pasA:
11.04
1s3zB-4pasA:
11.04
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.
4pdh TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		4 GLU A 154
VAL A 281
HIS A 125
ASP A 282
 None
 1.16A 1s3zA-4pdhA:
undetectable
1s3zB-4pdhA:
undetectable		 1s3zA-4pdhA:
19.80
1s3zB-4pdhA:
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		4 VAL A 250
HIS A 119
GLU A 542
ASP A 237
 None
EDO  A 606 ( 3.9A)
None
None
 1.15A 1s3zA-4q6kA:
undetectable
1s3zB-4q6kA:
undetectable		 1s3zA-4q6kA:
15.71
1s3zB-4q6kA:
15.71
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.
4s0u NKG2-D TYPE II
INTEGRAL MEMBRANE
PROTEIN
RETINOIC ACID EARLY
TRANSCRIPT 1L
PROTEIN

(Homo sapiens;
Homo sapiens) 		PF00059
(Lectin_C)
PF00129
(MHC_I) 		4 TYR A 152
GLU C  96
VAL C  93
ARG C 156
 None
 1.22A 1s3zA-4s0uA:
undetectable
1s3zB-4s0uA:
undetectable		 1s3zA-4s0uA:
19.05
1s3zB-4s0uA:
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.
4s0u NKG2-D TYPE II
INTEGRAL MEMBRANE
PROTEIN
RETINOIC ACID EARLY
TRANSCRIPT 1L
PROTEIN

(Homo sapiens;
Homo sapiens) 		PF00059
(Lectin_C)
PF00129
(MHC_I) 		4 TYR A 152
GLU C  96
VAL C  93
ASP C 189
 None
 1.22A 1s3zA-4s0uA:
undetectable
1s3zB-4s0uA:
undetectable		 1s3zA-4s0uA:
19.05
1s3zB-4s0uA:
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.
4xdq GLYCOSIDE HYDROLASE
FAMILY PROTEIN

(Mycolicibacterium
thermoresistibile) 		PF00722
(Glyco_hydro_16) 		4 TYR A  66
VAL A 229
TRP A 128
GLU A  49
 None
None
EDO  A 307 (-4.0A)
None
 1.24A 1s3zA-4xdqA:
undetectable
1s3zB-4xdqA:
undetectable		 1s3zA-4xdqA:
20.74
1s3zB-4xdqA:
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.
4xhp PARM HYBRID FUSION
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 GLU A 251
VAL A 203
HIS A 517
GLU A 164
 None
 1.30A 1s3zA-4xhpA:
undetectable
1s3zB-4xhpA:
undetectable		 1s3zA-4xhpA:
10.05
1s3zB-4xhpA:
10.05
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.
4xvs DONOR 45 01DG5 COREE
GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 GLU G  83
VAL G  85
HIS G 249
GLU G 267
 None
 1.30A 1s3zA-4xvsG:
undetectable
1s3zB-4xvsG:
undetectable		 1s3zA-4xvsG:
16.31
1s3zB-4xvsG:
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.
4y05 KINESIN-LIKE PROTEIN
KIF2C

(Homo sapiens) 		PF00225
(Kinesin) 		4 GLU A 272
ARG A 264
HIS A 356
GLU A 317
 None
ADP  A 702 (-3.9A)
ADP  A 702 (-3.5A)
None
 1.28A 1s3zA-4y05A:
undetectable
1s3zB-4y05A:
undetectable		 1s3zA-4y05A:
18.31
1s3zB-4y05A:
18.31
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.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris) 		PF00759
(Glyco_hydro_9) 		4 VAL A  66
ARG A 307
GLU A 414
ASP A  64
 None
None
BTB  A 505 (-3.2A)
None
 1.04A 1s3zA-4zg8A:
undetectable
1s3zB-4zg8A:
undetectable		 1s3zA-4zg8A:
16.90
1s3zB-4zg8A:
16.90
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.
5dm7 50S RIBOSOMAL
PROTEIN L15

(Deinococcus
radiodurans) 		PF00828
(Ribosomal_L27A) 		4 GLU I  94
VAL I 106
ARG I 139
ASP I 123
 None
 1.28A 1s3zA-5dm7I:
undetectable
1s3zB-5dm7I:
undetectable		 1s3zA-5dm7I:
23.03
1s3zB-5dm7I:
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		4 GLU A 426
TRP A 430
HIS A 296
ASP A 424
 None
 1.23A 1s3zA-5fnoA:
undetectable
1s3zB-5fnoA:
undetectable		 1s3zA-5fnoA:
15.77
1s3zB-5fnoA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h5j FERREDOXIN--NADP
REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1) 		4 TYR A 216
VAL A  58
GLU A 219
ASP A 103
 None
 1.15A 1s3zA-5h5jA:
undetectable
1s3zB-5h5jA:
undetectable		 1s3zA-5h5jA:
17.61
1s3zB-5h5jA:
17.61
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.
5i2x ADRENOCORTICAL
DYSPLASIA PROTEIN
HOMOLOG

(Homo sapiens) 		PF10341
(TPP1) 		4 GLU A 177
VAL A 120
GLU A 170
ASP A 123
 None
 1.04A 1s3zA-5i2xA:
undetectable
1s3zB-5i2xA:
undetectable		 1s3zA-5i2xA:
21.86
1s3zB-5i2xA:
21.86
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.
5ipy FLAVIN-CONTAINING
MONOOXYGENASE

(Roseovarius
nubinhibens) 		PF00743
(FMO-like) 		4 TYR A 207
VAL A 366
ARG A 413
GLU A 210
 NAP  A 501 (-3.7A)
None
NAP  A 501 (-4.0A)
None
 0.98A 1s3zA-5ipyA:
undetectable
1s3zB-5ipyA:
undetectable		 1s3zA-5ipyA:
14.35
1s3zB-5ipyA:
14.35
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 TYR A 184
ARG A 229
HIS A 230
ASP A 291
 None
 1.30A 1s3zA-5j6sA:
undetectable
1s3zB-5j6sA:
undetectable		 1s3zA-5j6sA:
10.26
1s3zB-5j6sA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		4 GLU A  94
VAL A 117
ARG A 189
ASP A 118
 None
 0.96A 1s3zA-5jp6A:
undetectable
1s3zB-5jp6A:
undetectable		 1s3zA-5jp6A:
18.39
1s3zB-5jp6A:
18.39
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.
5lpc VANADIUM-DEPENDENT
BROMOPEROXIDASE

(Acaryochloris
marina) 		no annotation 4 ARG A 436
HIS A 513
GLU A 508
ASP A 326
 PO4  A 901 (-3.2A)
PO4  A 901 (-4.3A)
None
None
 1.02A 1s3zA-5lpcA:
undetectable
1s3zB-5lpcA:
undetectable		 1s3zA-5lpcA:
15.38
1s3zB-5lpcA:
15.38
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.
5njf METALLOPROTEASE TLDD

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		4 VAL A 221
ARG A  53
GLU A 147
ASP A 224
 None
 1.13A 1s3zA-5njfA:
undetectable
1s3zB-5njfA:
undetectable		 1s3zA-5njfA:
19.87
1s3zB-5njfA:
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 4 GLU A 298
VAL A 297
ARG A 341
HIS A 267
 8BR  A 501 ( 4.6A)
8BR  A 502 ( 4.5A)
None
None
 1.29A 1s3zA-5o0jA:
undetectable
1s3zB-5o0jA:
undetectable		 1s3zA-5o0jA:
undetectable
1s3zB-5o0jA:
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 4 GLU A 604
VAL A 602
HIS A  32
ASP A 302
 None
 1.28A 1s3zA-5ta1A:
undetectable
1s3zB-5ta1A:
undetectable		 1s3zA-5ta1A:
14.66
1s3zB-5ta1A:
14.66
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.
5uz5 U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
COMPONENT PRP42
PRE-MRNA-PROCESSING
FACTOR 39

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		4 GLU E 589
ARG D 104
HIS D 296
GLU D 135
 None
 1.24A 1s3zA-5uz5E:
undetectable
1s3zB-5uz5E:
undetectable		 1s3zA-5uz5E:
13.04
1s3zB-5uz5E:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x6o SERINE/THREONINE-PRO
TEIN KINASE MEC1

(Saccharomyces
cerevisiae) 		no annotation 4 GLU C1354
ARG C2203
TRP C2199
GLU C1411
 None
 1.30A 1s3zA-5x6oC:
undetectable
1s3zB-5x6oC:
undetectable		 1s3zA-5x6oC:
undetectable
1s3zB-5x6oC:
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 4 TYR A 229
VAL A 290
HIS A 231
ASP A 250
 None
 1.22A 1s3zA-5y3jA:
undetectable
1s3zB-5y3jA:
undetectable		 1s3zA-5y3jA:
undetectable
1s3zB-5y3jA:
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.
5zkq PLATELET-ACTIVATING
FACTOR
RECEPTOR,ENDOLYSIN,E
NDOLYSIN,PLATELET-AC
TIVATING FACTOR
RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		no annotation 4 TYR A  15
VAL A 170
GLU A  12
ASP A 163
 None
 1.10A 1s3zA-5zkqA:
undetectable
1s3zB-5zkqA:
undetectable		 1s3zA-5zkqA:
undetectable
1s3zB-5zkqA:
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.
6bf6 INSULIN-DEGRADING
ENZYME

(Homo sapiens) 		no annotation 4 TYR A 500
GLU A 494
ARG A 477
HIS A 297
 None
 1.29A 1s3zA-6bf6A:
undetectable
1s3zB-6bf6A:
undetectable		 1s3zA-6bf6A:
undetectable
1s3zB-6bf6A:
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.
6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE

(Mycobacterium
tuberculosis) 		no annotation 4 GLU C 122
VAL C 121
ARG C 198
GLU C 205
 None
 1.09A 1s3zA-6eicC:
undetectable
1s3zB-6eicC:
undetectable		 1s3zA-6eicC:
undetectable
1s3zB-6eicC:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 4 GLU A 863
VAL A 869
ARG A 158
GLU A 153
 None
 1.17A 1s3zA-6eotA:
undetectable
1s3zB-6eotA:
1.8		 1s3zA-6eotA:
undetectable
1s3zB-6eotA:
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.
6f9g METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
MCPU

(Pseudomonas
putida) 		no annotation 4 TYR A 152
VAL A 211
TRP A 186
GLU A 164
 PUT  A 401 ( 3.5A)
None
PUT  A 401 (-3.5A)
None
 1.30A 1s3zA-6f9gA:
undetectable
1s3zB-6f9gA:
undetectable		 1s3zA-6f9gA:
undetectable
1s3zB-6f9gA:
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 4 TYR B  26
GLU B 303
VAL B 342
GLU B  37
 D5E  B 501 (-3.7A)
D5E  B 501 (-3.1A)
None
D5E  B 501 (-3.0A)
 1.22A 1s3zA-6fd2B:
undetectable
1s3zB-6fd2B:
undetectable		 1s3zA-6fd2B:
undetectable
1s3zB-6fd2B:
undetectable