SIMILAR PATTERNS OF AMINO ACIDS FOR 4F5Z_A_BEZA302_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.
1fn9 OUTER-CAPSID PROTEIN
SIGMA 3

(Reovirus sp.) 		PF00979
(Reovirus_cap) 		4 ASN A 353
PHE A 349
VAL A 243
TYR A 238
 None
 1.06A 4f5zA-1fn9A:
undetectable		 4f5zA-1fn9A:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 PHE A 232
VAL A 230
LEU A 435
TYR A 270
 None
 0.78A 4f5zA-1ig8A:
undetectable		 4f5zA-1ig8A:
21.05
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.
1kvz RC-RNASE4

(Rana
catesbeiana) 		PF00074
(RnaseA) 		4 ASN A  35
PHE A  37
VAL A  18
LEU A  28
 None
 1.15A 4f5zA-1kvzA:
undetectable		 4f5zA-1kvzA:
20.08
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.
1vlp NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF04095
(NAPRTase) 		4 PHE A  65
LEU A  95
HIS A  20
TYR A  84
 None
 1.01A 4f5zA-1vlpA:
undetectable		 4f5zA-1vlpA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASN A 704
ASP A 702
VAL A 650
HIS A 698
 None
 1.23A 4f5zA-1z68A:
12.7		 4f5zA-1z68A:
17.28
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.
2a4m TRYPTOPHANYL-TRNA
SYNTHETASE II

(Deinococcus
radiodurans) 		PF00579
(tRNA-synt_1b) 		4 PHE A 261
VAL A 260
LEU A 286
HIS A 294
 None
 1.17A 4f5zA-2a4mA:
undetectable		 4f5zA-2a4mA:
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASN A 710
ASP A 708
VAL A 656
HIS A 704
 008  A1767 (-3.0A)
None
None
None
 1.22A 4f5zA-2bucA:
12.7		 4f5zA-2bucA:
15.93
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.
2e3l TRANSCRIPTION FACTOR
GTF2IRD2 BETA

(Homo sapiens) 		PF02946
(GTF2I) 		4 PHE A  16
LEU A  66
HIS A  57
TYR A  34
 None
 1.12A 4f5zA-2e3lA:
undetectable		 4f5zA-2e3lA:
15.59
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		4 ASP A 358
PHE A 169
LEU A  72
HIS A  62
 ZN  A 601 ( 3.1A)
KCX  A 167 ( 4.2A)
URP  A 604 ( 4.9A)
ZN  A 601 (-3.2A)
 1.19A 4f5zA-2fvmA:
2.3		 4f5zA-2fvmA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASN A 710
ASP A 708
VAL A 656
HIS A 704
 ACF  A 800 (-3.3A)
None
None
None
 1.22A 4f5zA-2g5tA:
12.7		 4f5zA-2g5tA:
17.03
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.
2his CELLULOMONAS FIMI
FAMILY 10
BETA-1,4-GLYCANASE

(Cellulomonas
fimi) 		PF00331
(Glyco_hydro_10) 		4 ASP A  34
PHE A  17
VAL A  40
LEU A  24
 None
 1.11A 4f5zA-2hisA:
undetectable		 4f5zA-2hisA:
23.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htb PUTATIVE ENZYME
RELATED TO ALDOSE
1-EPIMERASE

(Salmonella
enterica) 		PF01263
(Aldose_epim) 		4 TRP A 242
PHE A 203
VAL A 177
TYR A 211
 None
 1.17A 4f5zA-2htbA:
undetectable		 4f5zA-2htbA:
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.
2m83 PROTEIN PHOSPHATASE
1 REGULATORY SUBUNIT
3A

(Oryctolagus
cuniculus) 		PF03370
(CBM_21) 		4 PHE A 192
VAL A 161
LEU A 231
TYR A 172
 None
 1.04A 4f5zA-2m83A:
undetectable		 4f5zA-2m83A:
14.29
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.
2nwb CONSERVED DOMAIN
PROTEIN

(Shewanella
oneidensis) 		PF08933
(DUF1864) 		4 ASN A 243
ASP A 246
LEU A 365
HIS A 317
 HEM  A 401 ( 4.5A)
None
HEM  A 401 (-3.7A)
None
 1.21A 4f5zA-2nwbA:
undetectable		 4f5zA-2nwbA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASN A 711
ASP A 709
VAL A 657
HIS A 705
 AIL  A 901 (-3.1A)
None
None
None
 1.22A 4f5zA-2oaeA:
13.4		 4f5zA-2oaeA:
17.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE

(Renilla
reniformis) 		PF00561
(Abhydrolase_1) 		5 ASN A  53
ASP A 120
TRP A 121
VAL A 185
HIS A 285
 None
 0.23A 4f5zA-2psfA:
39.6		 4f5zA-2psfA:
37.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE

(Renilla
reniformis) 		PF00561
(Abhydrolase_1) 		4 ASN A  53
TRP A 121
PHE A 181
VAL A 185
 None
 1.03A 4f5zA-2psfA:
39.6		 4f5zA-2psfA:
37.14
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.
2qul D-TAGATOSE
3-EPIMERASE

(Pseudomonas
cichorii) 		PF01261
(AP_endonuc_2) 		4 ASP A 185
PHE A 248
VAL A 259
HIS A 188
 MN  A 291 (-3.1A)
None
None
None
 1.21A 4f5zA-2qulA:
undetectable		 4f5zA-2qulA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qvb HALOALKANE
DEHALOGENASE 3

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		7 ASN A  39
ASP A 109
TRP A 110
PHE A 170
VAL A 174
LEU A 212
HIS A 273
 CL  A   2 (-4.4A)
CL  A   2 ( 4.8A)
CL  A   2 (-4.6A)
CL  A   2 ( 4.7A)
EDO  A   1 (-4.8A)
CL  A   2 ( 4.7A)
EDO  A   1 (-3.8A)
 0.25A 4f5zA-2qvbA:
44.9		 4f5zA-2qvbA:
43.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qvb HALOALKANE
DEHALOGENASE 3

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		4 ASP A 109
TRP A 110
PHE A 152
HIS A 273
 CL  A   2 ( 4.8A)
CL  A   2 (-4.6A)
EDO  A   1 ( 4.9A)
EDO  A   1 (-3.8A)
 1.08A 4f5zA-2qvbA:
44.9		 4f5zA-2qvbA:
43.93
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.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 ASP A 160
VAL A 203
LEU A 303
HIS A 161
 None
None
None
CO  A4113 ( 3.3A)
 0.97A 4f5zA-2r5vA:
undetectable		 4f5zA-2r5vA:
23.54
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.
2v73 PUTATIVE
EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF02973
(Sialidase) 		4 ASN A 104
PHE A  99
VAL A  97
LEU A  54
 None
 1.05A 4f5zA-2v73A:
undetectable		 4f5zA-2v73A:
17.74
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		4 PHE A 661
VAL A 671
LEU A 653
TYR A 688
 None
 1.18A 4f5zA-2w20A:
undetectable		 4f5zA-2w20A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		4 ASP A 547
PHE A 285
VAL A 517
LEU A 533
 None
 1.03A 4f5zA-2w8dA:
undetectable		 4f5zA-2w8dA:
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 ASN A 462
ASP A 443
VAL A 466
HIS A 445
 None
 1.17A 4f5zA-3a24A:
undetectable		 4f5zA-3a24A:
19.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		8 ASN A  38
ASP A 103
TRP A 104
PHE A 176
VAL A 180
LEU A 217
HIS A 280
TYR A 281
 CL  A 401 (-4.4A)
CL  A 401 ( 4.9A)
CL  A 401 (-4.6A)
CL  A 401 ( 4.8A)
None
CL  A 401 ( 4.8A)
None
None
 0.32A 4f5zA-3a2lA:
47.1		 4f5zA-3a2lA:
52.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		4 ASP A 103
TRP A 104
PHE A 157
HIS A 280
 CL  A 401 ( 4.9A)
CL  A 401 (-4.6A)
None
None
 1.10A 4f5zA-3a2lA:
47.1		 4f5zA-3a2lA:
52.23
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ASN B 286
PHE B 325
VAL B 421
LEU B 298
 None
 1.08A 4f5zA-3amjB:
undetectable		 4f5zA-3amjB:
24.03
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.
3b0p TRNA-DIHYDROURIDINE
SYNTHASE

(Thermus
thermophilus) 		PF01207
(Dus) 		4 ASP A 186
TRP A 187
VAL A 219
LEU A 135
 None
 1.09A 4f5zA-3b0pA:
undetectable		 4f5zA-3b0pA:
27.03
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 PHE X 232
VAL X 230
LEU X 435
TYR X 270
 None
 0.92A 4f5zA-3b8aX:
undetectable		 4f5zA-3b8aX:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3daq DIHYDRODIPICOLINATE
SYNTHASE

(Staphylococcus
aureus) 		PF00701
(DHDPS) 		4 ASN A 193
VAL A 205
LEU A 241
TYR A 198
 None
 1.18A 4f5zA-3daqA:
undetectable		 4f5zA-3daqA:
21.80
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.
3ebt UNCHARACTERIZED
NTF2-LIKE PROTEIN

(Burkholderia
pseudomallei) 		PF12680
(SnoaL_2) 		4 ASP A 118
VAL A  61
LEU A  70
HIS A  35
 UNL  A 133 (-3.6A)
None
UNL  A 133 (-4.9A)
UNL  A 133 (-4.0A)
 1.23A 4f5zA-3ebtA:
undetectable		 4f5zA-3ebtA:
18.53
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.
3fhl PUTATIVE
OXIDOREDUCTASE

(Bacteroides
fragilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASN A 122
ASP A 126
PHE A  18
VAL A  17
 None
 1.23A 4f5zA-3fhlA:
4.4		 4f5zA-3fhlA:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ASP A 478
LEU A 294
HIS A 518
TYR A 528
 None
 1.22A 4f5zA-3hjeA:
undetectable		 4f5zA-3hjeA:
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 ASN A1510
ASP A1511
LEU A1320
TYR A1513
 None
 1.12A 4f5zA-3hmjA:
3.4		 4f5zA-3hmjA:
9.72
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.
3itq PROLYL
4-HYDROXYLASE, ALPHA
SUBUNIT DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13640
(2OG-FeII_Oxy_3) 		4 ASP A 129
TRP A 209
VAL A 176
HIS A 193
 GOL  A 968 (-2.8A)
GOL  A 968 (-4.4A)
None
GOL  A 968 (-4.1A)
 1.17A 4f5zA-3itqA:
undetectable		 4f5zA-3itqA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kda CFTR INHIBITORY
FACTOR (CIF)

(Pseudomonas
aeruginosa) 		no annotation 4 ASP D 129
PHE D 178
VAL D 175
HIS D 297
 None
 0.95A 4f5zA-3kdaD:
27.8		 4f5zA-3kdaD:
27.44
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.
3kfu NON-DISCRIMINATING
AND ARCHAEAL-TYPE
ASPARTYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 VAL A 314
LEU A 279
HIS A 272
TYR A 317
 None
 1.07A 4f5zA-3kfuA:
undetectable		 4f5zA-3kfuA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfw UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF07848
(PaaX)
PF08223
(PaaX_C) 		4 ASN X 129
ASP X 128
TRP X  85
HIS X  90
 None
 1.23A 4f5zA-3kfwX:
undetectable		 4f5zA-3kfwX:
24.46
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.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		4 ASN A  49
ASP A  48
PHE A 259
VAL A 280
 None
 1.06A 4f5zA-3kgbA:
undetectable		 4f5zA-3kgbA:
23.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kmh D-LYXOSE ISOMERASE

(Escherichia
coli) 		PF07385
(Lyx_isomer) 		4 TRP A  53
PHE A  27
VAL A  46
TYR A 223
 None
 1.15A 4f5zA-3kmhA:
undetectable		 4f5zA-3kmhA:
21.75
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.
3ksy SON OF SEVENLESS
HOMOLOG 1

(Homo sapiens) 		PF00125
(Histone)
PF00169
(PH)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF00621
(RhoGEF) 		4 ASP A 369
VAL A 205
HIS A 276
TYR A 201
 None
 1.09A 4f5zA-3ksyA:
undetectable		 4f5zA-3ksyA:
14.11
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.
3nie MAP2 KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 ASP A  70
VAL A 218
HIS A 216
TYR A  41
 None
None
None
ANP  A 430 (-4.9A)
 1.20A 4f5zA-3nieA:
undetectable		 4f5zA-3nieA:
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.
3oa4 GLYOXALASE

(Bacillus
halodurans) 		PF13669
(Glyoxalase_4) 		4 PHE A 120
VAL A 118
LEU A  60
HIS A  11
 None
None
GOL  A 302 ( 4.9A)
ZN  A 300 (-3.2A)
 1.19A 4f5zA-3oa4A:
undetectable		 4f5zA-3oa4A:
21.93
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.
3thz DNA MISMATCH REPAIR
PROTEIN MSH2

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 PHE A  42
VAL A  79
LEU A  11
HIS A  46
 None
 1.21A 4f5zA-3thzA:
undetectable		 4f5zA-3thzA:
13.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u1t DMMA HALOALKANE
DEHALOGENASE

(unidentified) 		PF00561
(Abhydrolase_1) 		5 ASN A  78
ASP A 144
TRP A 145
PHE A 210
HIS A 315
 CL  A 350 (-4.4A)
CL  A 350 ( 4.6A)
CL  A 350 (-4.7A)
CL  A 350 (-4.7A)
MLI  A 351 (-3.3A)
 0.21A 4f5zA-3u1tA:
46.6		 4f5zA-3u1tA:
50.16
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ASN A3661
PHE A3786
VAL A3674
LEU A3652
 None
 1.09A 4f5zA-3vkgA:
undetectable		 4f5zA-3vkgA:
6.38
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.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		4 PHE A 422
VAL A  96
LEU A 433
TYR A  92
 None
 1.13A 4f5zA-3vohA:
undetectable		 4f5zA-3vohA:
23.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		5 ASN A  43
ASP A 108
TRP A 109
LEU A 211
HIS A 274
 NHE  A 401 (-3.8A)
NHE  A 401 (-3.2A)
NHE  A 401 (-4.1A)
NHE  A 401 ( 4.2A)
NHE  A 401 (-3.4A)
 0.48A 4f5zA-3wibA:
40.0		 4f5zA-3wibA:
37.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		4 ASN A 425
ASP A 427
VAL A  56
LEU A 359
 None
 1.04A 4f5zA-3zbmA:
undetectable		 4f5zA-3zbmA:
22.25
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASN A1017
ASP A1019
HIS A1056
TYR A1045
 None
 1.22A 4f5zA-4amcA:
undetectable		 4f5zA-4amcA:
14.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4brz HALOALKANE
DEHALOGENASE

(Rhodobacteraceae) 		PF00561
(Abhydrolase_1) 		5 ASN A  36
ASP A 106
TRP A 107
PHE A 168
HIS A 271
 CL  A1293 (-4.4A)
CL  A1293 ( 4.7A)
CL  A1293 (-4.7A)
CL  A1293 (-4.7A)
None
 0.29A 4f5zA-4brzA:
43.7		 4f5zA-4brzA:
47.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4brz HALOALKANE
DEHALOGENASE

(Rhodobacteraceae) 		PF00561
(Abhydrolase_1) 		4 ASP A 106
TRP A 107
PHE A 150
HIS A 271
 CL  A1293 ( 4.7A)
CL  A1293 (-4.7A)
CL  A1293 (-4.8A)
None
 1.12A 4f5zA-4brzA:
43.7		 4f5zA-4brzA:
47.00
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.
4da5 CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		4 ASP A 342
PHE A 378
LEU A 328
HIS A 236
 None
 1.18A 4f5zA-4da5A:
undetectable		 4f5zA-4da5A:
19.14
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.
4dh2 DOCKERIN TYPE 1

(Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1) 		4 ASP B  20
PHE B  71
VAL B  46
LEU B  64
 CA  B 101 (-2.1A)
None
None
None
 1.19A 4f5zA-4dh2B:
undetectable		 4f5zA-4dh2B:
15.09
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		4 ASN A1261
PHE A1266
VAL A1246
HIS A1225
 None
 1.14A 4f5zA-4fbqA:
undetectable		 4f5zA-4fbqA:
19.83
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.
4fcx DNA REPAIR PROTEIN
RAD32

(Schizosaccharomyces
pombe) 		no annotation 4 ASN B 261
PHE B 266
VAL B 246
HIS B 225
 None
 1.02A 4f5zA-4fcxB:
undetectable		 4f5zA-4fcxB:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fwb HALOALKANE
DEHALOGENASE

(Rhodococcus
rhodochrous) 		PF00561
(Abhydrolase_1) 		6 ASN A  41
ASP A 106
TRP A 107
PHE A 168
LEU A 209
HIS A 272
 CL  A2002 (-4.3A)
3KP  A2001 ( 2.3A)
CL  A2002 (-4.7A)
CL  A2005 ( 4.6A)
CL  A2002 ( 4.7A)
CL  A2003 ( 3.7A)
 0.18A 4f5zA-4fwbA:
54.2		 4f5zA-4fwbA:
97.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fwb HALOALKANE
DEHALOGENASE

(Rhodococcus
rhodochrous) 		PF00561
(Abhydrolase_1) 		4 ASP A 106
TRP A 107
PHE A 149
HIS A 272
 3KP  A2001 ( 2.3A)
CL  A2002 (-4.7A)
3KP  A2001 (-4.7A)
CL  A2003 ( 3.7A)
 1.17A 4f5zA-4fwbA:
54.2		 4f5zA-4fwbA:
97.60
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		4 ASN A 223
PHE A 398
VAL A 407
HIS A 393
 None
 1.11A 4f5zA-4ia5A:
undetectable		 4f5zA-4ia5A:
18.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k2a HALOALKANE
DEHALOGENASE

(Bradyrhizobium
elkanii) 		PF00561
(Abhydrolase_1) 		8 ASN A  38
ASP A 103
TRP A 104
PHE A 167
VAL A 171
LEU A 208
HIS A 271
TYR A 272
 CL  A 501 (-4.3A)
CL  A 501 ( 4.7A)
CL  A 501 (-4.4A)
CL  A 501 (-4.7A)
None
None
None
None
 0.35A 4f5zA-4k2aA:
46.5		 4f5zA-4k2aA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k2a HALOALKANE
DEHALOGENASE

(Bradyrhizobium
elkanii) 		PF00561
(Abhydrolase_1) 		4 ASP A 103
TRP A 104
PHE A 148
HIS A 271
 CL  A 501 ( 4.7A)
CL  A 501 (-4.4A)
None
None
 1.11A 4f5zA-4k2aA:
46.5		 4f5zA-4k2aA:
48.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kbx UNCHARACTERIZED
PROTEIN YHFX

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		4 PHE A 355
VAL A 356
LEU A 105
TYR A 299
 LLP  A  61 ( 4.0A)
None
LLP  A  61 ( 3.8A)
SO4  A 401 (-4.7A)
 1.19A 4f5zA-4kbxA:
undetectable		 4f5zA-4kbxA:
21.11
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.
4lmv GLUTATHIONE
TRANSFERASE

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		4 ASP A 207
PHE A 117
VAL A 121
LEU A 185
 None
 1.07A 4f5zA-4lmvA:
undetectable		 4f5zA-4lmvA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		4 ASP A 205
PHE A 282
VAL A 285
HIS A 248
 None
 1.15A 4f5zA-4rl3A:
2.9		 4f5zA-4rl3A:
19.68
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.
4uxa CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		4 PHE A  29
VAL A  37
LEU A 107
HIS A 110
 None
 1.15A 4f5zA-4uxaA:
undetectable		 4f5zA-4uxaA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wdr HALOALKANE
DEHALOGENASE

(Sphingobium
japonicum) 		PF00561
(Abhydrolase_1) 		7 ASN A  38
ASP A 108
TRP A 109
PHE A 169
VAL A 173
LEU A 211
HIS A 272
 CL  A 301 (-4.2A)
CL  A 301 ( 4.6A)
CL  A 301 (-4.7A)
CL  A 301 ( 4.8A)
None
None
None
 0.30A 4f5zA-4wdrA:
44.5		 4f5zA-4wdrA:
48.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wdr HALOALKANE
DEHALOGENASE

(Sphingobium
japonicum) 		PF00561
(Abhydrolase_1) 		4 ASP A 108
TRP A 109
PHE A 151
HIS A 272
 CL  A 301 ( 4.6A)
CL  A 301 (-4.7A)
None
None
 1.17A 4f5zA-4wdrA:
44.5		 4f5zA-4wdrA:
48.84
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.
4xae FERULOYL COA
ORTHO-HYDROXYLASE 1

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 ASN A 275
ASP A 237
PHE A  88
VAL A 254
HIS A 235
 None
NA  A 400 (-2.3A)
None
None
NA  A 400 (-3.7A)
 1.45A 4f5zA-4xaeA:
undetectable		 4f5zA-4xaeA:
21.05
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.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		4 ASP A 122
PHE A  59
VAL A  55
HIS A  22
 FE2  A 202 ( 2.6A)
None
None
FE2  A 202 (-3.3A)
 0.86A 4f5zA-4xpxA:
undetectable		 4f5zA-4xpxA:
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.
4yke MRE11

(Chaetomium
thermophilum) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		4 ASN A 147
PHE A  98
VAL A  97
LEU A 165
 None
 1.14A 4f5zA-4ykeA:
undetectable		 4f5zA-4ykeA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens;
Homo sapiens) 		PF12859
(ANAPC1)
PF12862
(ANAPC5) 		4 ASN O 261
ASP O 266
LEU A  35
HIS A  31
 None
 1.14A 4f5zA-5a31O:
undetectable		 4f5zA-5a31O:
15.35
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.
5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		4 PHE A 283
VAL A 305
HIS A 247
TYR A 248
 None
None
BG6  A 550 (-3.8A)
BG6  A 550 (-4.4A)
 1.17A 4f5zA-5aq1A:
undetectable		 4f5zA-5aq1A:
21.31
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.
5axh DEXTRANASE

(Thermoanaerobacter
pseudethanolicus) 		PF13199
(Glyco_hydro_66) 		4 ASN A 573
ASP A 574
PHE A  29
VAL A  36
 None
GOL  A 708 (-3.4A)
None
None
 1.21A 4f5zA-5axhA:
2.2		 4f5zA-5axhA:
20.45
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.
5ay9 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		4 ASP A  91
PHE A  95
VAL A  87
LEU A  64
 None
 1.13A 4f5zA-5ay9A:
undetectable		 4f5zA-5ay9A:
21.07
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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		4 ASP A 123
VAL A   5
HIS A 122
TYR A  96
 None
 1.23A 4f5zA-5bxyA:
undetectable		 4f5zA-5bxyA:
23.02
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.
5c3o THYMINE DIOXYGENASE

(Neurospora
crassa) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 ASP A 216
PHE A  45
VAL A 233
HIS A 214
 CA  A 407 (-2.5A)
None
None
CA  A 407 (-3.4A)
 1.20A 4f5zA-5c3oA:
undetectable		 4f5zA-5c3oA:
22.64
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.
5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Homo sapiens) 		PF00903
(Glyoxalase)
PF13669
(Glyoxalase_4) 		4 ASP A 182
VAL A 228
LEU A 332
HIS A 183
 ASP  A 182 ( 0.6A)
VAL  A 228 ( 0.6A)
LEU  A 332 ( 0.6A)
HIS  A 183 (-1.0A)
 1.18A 4f5zA-5ec3A:
undetectable		 4f5zA-5ec3A:
20.44
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.
5fku DNA POLYMERASE III
SUBUNIT TAU

(Escherichia
coli) 		PF12170
(DNA_pol3_tau_5) 		4 ASN E 593
ASP E 591
VAL E 596
HIS E 555
 None
 1.17A 4f5zA-5fkuE:
undetectable		 4f5zA-5fkuE:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fx8 LINOLEATE
11-LIPOXYGENASE

(Gaeumannomyces
avenae) 		PF00305
(Lipoxygenase) 		4 PHE A 415
VAL A 317
LEU A 463
HIS A 312
 None
 1.23A 4f5zA-5fx8A:
undetectable		 4f5zA-5fx8A:
19.52
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.
5jnf LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		no annotation 4 ASN C 453
PHE C 456
VAL C 459
LEU C 426
 None
 1.17A 4f5zA-5jnfC:
undetectable		 4f5zA-5jnfC:
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.
5lkd GLUTATHIONE
S-TRANSFERASE
OMEGA-LIKE 2

(Saccharomyces
cerevisiae) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ASP A 287
PHE A 211
VAL A 215
LEU A 253
 None
 0.93A 4f5zA-5lkdA:
undetectable		 4f5zA-5lkdA:
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		4 PHE A 649
VAL A 555
HIS A 517
TYR A 640
 None
 1.18A 4f5zA-5mq6A:
undetectable		 4f5zA-5mq6A:
16.87
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.
5mxp -

(-) 		no annotation 6 ASP A 105
TRP A 106
PHE A 169
LEU A 210
HIS A 273
TYR A 274
 ACT  A 401 (-2.5A)
ACT  A 401 ( 4.9A)
ACT  A 401 (-4.5A)
ACT  A 401 ( 4.9A)
ACT  A 401 ( 4.3A)
None
 0.46A 4f5zA-5mxpA:
45.3		 4f5zA-5mxpA:
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.
5tgf UNCHARACTERIZED
PROTEIN

(Bacteroides
dorei) 		PF00144
(Beta-lactamase) 		4 ASN A  36
ASP A  37
HIS A 219
TYR A 218
 None
 1.07A 4f5zA-5tgfA:
undetectable		 4f5zA-5tgfA:
22.16
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.
5u5g 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Pseudomonas
syringae) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ASN A 177
VAL A 234
LEU A 243
TYR A 217
 7VD  A 302 (-3.3A)
NAP  A 301 (-4.1A)
None
7VD  A 302 (-4.4A)
 1.09A 4f5zA-5u5gA:
undetectable		 4f5zA-5u5gA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ufl PROTEIN CIP2A

(Homo sapiens) 		no annotation 4 ASP A 114
PHE A 146
VAL A 107
LEU A 158
 None
 1.07A 4f5zA-5uflA:
undetectable		 4f5zA-5uflA:
18.26
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.
5v4l ADENYLOSUCCINATE
LYASE

(Cryptococcus
neoformans) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 ASN A  36
PHE A 223
LEU A  60
TYR A 107
 None
 0.95A 4f5zA-5v4lA:
undetectable		 4f5zA-5v4lA:
19.52
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.
5wtq PROTEASOME ASSEMBLY
CHAPERONE 4

(Homo sapiens) 		PF16093
(PAC4) 		4 ASN A  99
PHE A 104
VAL A 108
TYR A  95
 None
 0.98A 4f5zA-5wtqA:
undetectable		 4f5zA-5wtqA:
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 ASN A 552
PHE A 548
VAL A 866
LEU A 590
TYR A 880
 None
 1.42A 4f5zA-5wvgA:
undetectable		 4f5zA-5wvgA:
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.
5xcy GLUCANASE

(Phanerochaete
chrysosporium) 		PF01341
(Glyco_hydro_6) 		4 PHE A 428
VAL A 102
LEU A 439
TYR A  98
 None
 1.14A 4f5zA-5xcyA:
undetectable		 4f5zA-5xcyA:
20.68
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.
5ybp PRHA

(Penicillium
brasilianum) 		no annotation 4 ASN A 152
ASP A 132
PHE A 154
HIS A 214
 None
FE  A 301 ( 2.5A)
AKG  A 302 (-4.4A)
FE  A 301 ( 3.2A)
 1.16A 4f5zA-5ybpA:
undetectable		 4f5zA-5ybpA:
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.
5z8o CYCLASE/DEHYDRASE

(Mycolicibacterium
smegmatis) 		no annotation 4 PHE A  90
VAL A  18
LEU A 127
TYR A  24
 None
 1.20A 4f5zA-5z8oA:
undetectable		 4f5zA-5z8oA:
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.
6cn7 AEROBACTIN SYNTHASE
IUCC

(Klebsiella
pneumoniae) 		no annotation 4 TRP A  46
PHE A  27
VAL A  26
LEU A  77
 None
 1.21A 4f5zA-6cn7A:
undetectable		 4f5zA-6cn7A:
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.
6d34 TERC

(Streptomyces) 		no annotation 4 ASP A 173
VAL A 116
LEU A 125
HIS A  90
 IPA  A 202 ( 3.6A)
IPA  A 201 ( 4.4A)
IPA  A 202 ( 4.4A)
IPA  A 201 (-3.5A)
 1.21A 4f5zA-6d34A:
undetectable		 4f5zA-6d34A:
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.
6d3i -

(-) 		no annotation 4 ASP A 113
VAL A 170
LEU A  83
TYR A 221
 CO  A 301 ( 2.5A)
None
None
None
 1.15A 4f5zA-6d3iA:
undetectable		 4f5zA-6d3iA:
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.
6ejm SINGLE CHAIN FV
FRAGMENT

(Mus musculus) 		no annotation 4 ASP H 142
TRP H 144
VAL H 237
LEU H 215
 None
 1.09A 4f5zA-6ejmH:
undetectable		 4f5zA-6ejmH:
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 4 ASN X 255
ASP X 325
VAL X 394
HIS X 346
 None
 0.92A 4f5zA-6elqX:
undetectable		 4f5zA-6elqX:
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 ASN A 835
ASP A 833
VAL A 781
HIS A 829
 None
 1.21A 4f5zA-6eotA:
11.9		 4f5zA-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.
6fea NITROGENASE PROTEIN
ALPHA CHAIN

(Azotobacter
vinelandii) 		no annotation 4 PHE A 403
VAL A 420
LEU A 326
TYR A 430
 None
 1.17A 4f5zA-6feaA:
undetectable		 4f5zA-6feaA:
undetectable