SIMILAR PATTERNS OF AMINO ACIDS FOR 3N2O_C_AG2C1002_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b3j MHC CLASS I HOMOLOG
MIC-A

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 SER A  13
ASP A  82
LEU A 138
ASP A 113
 None
 1.08A 3n2oC-1b3jA:
undetectable
3n2oD-1b3jA:
undetectable		 3n2oC-1b3jA:
17.57
3n2oD-1b3jA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b3j MHC CLASS I HOMOLOG
MIC-A

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 SER A  13
ASP A  82
LEU A 138
ASP A 113
 None
 1.24A 3n2oC-1b3jA:
undetectable
3n2oD-1b3jA:
undetectable		 3n2oC-1b3jA:
17.57
3n2oD-1b3jA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bf5 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 LYS A 286
LEU A 206
ASP A 168
ASP A 165
 None
 1.16A 3n2oC-1bf5A:
5.5
3n2oD-1bf5A:
5.9		 3n2oC-1bf5A:
22.35
3n2oD-1bf5A:
22.35
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 SER A 697
ASP A 204
LEU A 205
ASP A 691
 None
 1.24A 3n2oC-1c7tA:
7.6
3n2oD-1c7tA:
6.2		 3n2oC-1c7tA:
22.90
3n2oD-1c7tA:
22.90
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.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		4 ASP A 177
LEU A  70
ASP A  40
ASP A  80
 545  A 421 (-3.3A)
545  A 421 (-4.3A)
545  A 421 (-3.7A)
545  A 421 (-3.4A)
 1.26A 3n2oC-1jikA:
undetectable
3n2oD-1jikA:
undetectable		 3n2oC-1jikA:
22.88
3n2oD-1jikA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jn0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A

(Spinacia
oleracea) 		no annotation 4 HIS O 176
LEU O  50
TRP O 315
ASP O 312
 None
 1.02A 3n2oC-1jn0O:
undetectable
3n2oD-1jn0O:
undetectable		 3n2oC-1jn0O:
19.37
3n2oD-1jn0O:
19.37
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 LYS A 358
ASP A 354
ASP A 172
ASP A 169
 None
 1.13A 3n2oC-1lnlA:
undetectable
3n2oD-1lnlA:
undetectable		 3n2oC-1lnlA:
20.88
3n2oD-1lnlA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		4 LYS A 214
LEU A 245
ASP A   7
ASP A 237
 PO4  A 900 (-2.8A)
None
PO4  A 900 ( 2.6A)
CA  A 903 (-2.9A)
 1.20A 3n2oC-1nrwA:
undetectable
3n2oD-1nrwA:
undetectable		 3n2oC-1nrwA:
19.67
3n2oD-1nrwA:
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.
1nt4 GLUCOSE-1-PHOSPHATAS
E

(Escherichia
coli) 		PF00328
(His_Phos_2) 		4 ASP A 327
LEU A 334
ASP A 372
ASP A 374
 None
 1.26A 3n2oC-1nt4A:
undetectable
3n2oD-1nt4A:
undetectable		 3n2oC-1nt4A:
21.61
3n2oD-1nt4A:
21.61
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		4 HIS A 224
SER A 196
LEU A 148
ASP A 198
 None
 1.23A 3n2oC-1o9bA:
undetectable
3n2oD-1o9bA:
undetectable		 3n2oC-1o9bA:
19.14
3n2oD-1o9bA:
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.
1q0z ACLACINOMYCIN
METHYLESTERASE

(Streptomyces
purpurascens) 		PF00561
(Abhydrolase_1) 		4 SER A  65
ASP A  83
LEU A  80
ASP A  61
 None
 1.10A 3n2oC-1q0zA:
undetectable
3n2oD-1q0zA:
2.2		 3n2oC-1q0zA:
17.82
3n2oD-1q0zA:
17.82
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		4 HIS A  30
SER A  47
ASP A 386
LEU A 389
 None
 1.12A 3n2oC-1qguA:
undetectable
3n2oD-1qguA:
undetectable		 3n2oC-1qguA:
20.33
3n2oD-1qguA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w07 ACYL-COA OXIDASE

(Arabidopsis
thaliana) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 LYS A  68
SER A 236
ASP A 100
ASP A  94
 None
 1.26A 3n2oC-1w07A:
undetectable
3n2oD-1w07A:
undetectable		 3n2oC-1w07A:
22.95
3n2oD-1w07A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9y CYSTEINE PROTEINASE

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47)
PF14731
(Staphopain_pro) 		4 SER A 374
ASP A 124
ASP A 372
ASP A 370
 None
 1.27A 3n2oC-1x9yA:
undetectable
3n2oD-1x9yA:
undetectable		 3n2oC-1x9yA:
22.08
3n2oD-1x9yA:
22.08
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.
1xmx HYPOTHETICAL PROTEIN
VC1899

(Vibrio cholerae) 		PF09002
(DUF1887) 		4 SER A  92
LEU A  44
ASP A   9
ASP A  11
 None
 0.92A 3n2oC-1xmxA:
undetectable
3n2oD-1xmxA:
undetectable		 3n2oC-1xmxA:
20.57
3n2oD-1xmxA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		4 LYS A 286
LEU A 206
ASP A 168
ASP A 165
 None
 0.98A 3n2oC-1yvlA:
5.6
3n2oD-1yvlA:
5.4		 3n2oC-1yvlA:
22.99
3n2oD-1yvlA:
22.99
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		4 HIS A 242
ASP A 127
LEU A 131
ASP A  70
 ZN  A 802 (-3.2A)
None
None
None
 1.10A 3n2oC-2gmnA:
undetectable
3n2oD-2gmnA:
undetectable		 3n2oC-2gmnA:
19.56
3n2oD-2gmnA:
19.56
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 HIS A 274
SER A 246
ASP A 198
ASP A 243
 None
 1.21A 3n2oC-2htvA:
undetectable
3n2oD-2htvA:
undetectable		 3n2oC-2htvA:
19.75
3n2oD-2htvA:
19.75
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.
2i6u ORNITHINE
CARBAMOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 HIS A 163
ASP A 234
LEU A 236
ASP A 156
 None
 1.15A 3n2oC-2i6uA:
undetectable
3n2oD-2i6uA:
undetectable		 3n2oC-2i6uA:
19.87
3n2oD-2i6uA:
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.
2ija ARYLAMINE
N-ACETYLTRANSFERASE
1

(Homo sapiens) 		PF00797
(Acetyltransf_2) 		4 HIS A  43
SER A 219
ASP A 179
LEU A 180
 None
 1.05A 3n2oC-2ijaA:
undetectable
3n2oD-2ijaA:
undetectable		 3n2oC-2ijaA:
19.44
3n2oD-2ijaA:
19.44
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 HIS A  86
SER A  85
LEU A  47
ASP A  35
 None
 1.19A 3n2oC-2ip2A:
undetectable
3n2oD-2ip2A:
undetectable		 3n2oC-2ip2A:
20.15
3n2oD-2ip2A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixb ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Elizabethkingia
meningoseptica) 		PF01408
(GFO_IDH_MocA) 		4 HIS A 104
SER A  98
ASP A 380
LEU A 379
 NAD  A1445 (-4.0A)
None
None
None
 1.09A 3n2oC-2ixbA:
undetectable
3n2oD-2ixbA:
undetectable		 3n2oC-2ixbA:
21.25
3n2oD-2ixbA:
21.25
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.
2nv9 A207R PROTEIN,
ARGININE
DECARBOXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 LYS A  48
HIS A 176
SER A 179
LEU A 357
 PLP  A2001 (-2.1A)
PLP  A2001 (-4.1A)
PLP  A2001 (-2.6A)
None
 0.73A 3n2oC-2nv9A:
12.3
3n2oD-2nv9A:
13.1		 3n2oC-2nv9A:
21.99
3n2oD-2nv9A:
21.99
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.
2p7n PATHOGENICITY ISLAND
1 EFFECTOR PROTEIN

(Chromobacterium
violaceum) 		PF06511
(IpaD) 		4 SER A 135
LEU A  49
TRP A 182
ASP A 178
 None
 1.17A 3n2oC-2p7nA:
undetectable
3n2oD-2p7nA:
undetectable		 3n2oC-2p7nA:
21.87
3n2oD-2p7nA:
21.87
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 HIS A 371
SER A 373
ASP A 243
ASP A 318
 None
PAH  A 600 (-2.4A)
ZN  A 500 ( 2.4A)
ZN  A 500 ( 3.0A)
 1.27A 3n2oC-2ptzA:
6.8
3n2oD-2ptzA:
3.3		 3n2oC-2ptzA:
21.04
3n2oD-2ptzA:
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		4 HIS A  61
SER A  65
ASP A  68
ASP A 136
 None
UTP  A 501 (-2.6A)
MG  A 401 (-2.6A)
U5P  A 502 (-4.0A)
 1.01A 3n2oC-2q0fA:
undetectable
3n2oD-2q0fA:
undetectable		 3n2oC-2q0fA:
21.08
3n2oD-2q0fA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rch CYTOCHROME P450 74A

(Arabidopsis
thaliana) 		PF00067
(p450) 		4 HIS A 452
ASP A 405
ASP A 426
ASP A 118
 None
 1.03A 3n2oC-2rchA:
undetectable
3n2oD-2rchA:
undetectable		 3n2oC-2rchA:
22.40
3n2oD-2rchA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2was 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01648
(ACPS) 		4 LYS B1821
LEU B1834
TRP B1813
ASP B1772
 None
 0.79A 3n2oC-2wasB:
undetectable
3n2oD-2wasB:
undetectable		 3n2oC-2wasB:
14.70
3n2oD-2wasB:
14.70
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.
2wu0 PHYTASE

(Klebsiella
pneumoniae) 		PF00328
(His_Phos_2) 		4 HIS A  59
SER A 219
LEU A 361
ASP A 346
 None
 1.07A 3n2oC-2wu0A:
undetectable
3n2oD-2wu0A:
undetectable		 3n2oC-2wu0A:
21.11
3n2oD-2wu0A:
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		4 SER A 153
ASP A 177
ASP A 116
ASP A 118
 None
 1.21A 3n2oC-2xioA:
7.5
3n2oD-2xioA:
5.2		 3n2oC-2xioA:
20.00
3n2oD-2xioA:
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH) 		4 HIS A 231
SER A 211
LEU A 293
ASP A 215
 None
EPE  A1297 (-4.3A)
None
None
 1.23A 3n2oC-2ynmA:
undetectable
3n2oD-2ynmA:
undetectable		 3n2oC-2ynmA:
19.41
3n2oD-2ynmA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		4 SER A  60
LEU A  50
ASP A  22
ASP A 253
 None
None
GD3  A 502 ( 4.9A)
GD3  A 501 ( 2.8A)
 1.19A 3n2oC-2yzwA:
undetectable
3n2oD-2yzwA:
undetectable		 3n2oC-2yzwA:
19.25
3n2oD-2yzwA:
19.25
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.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		4 SER A 266
ASP A 241
LEU A 169
ASP A 390
 None
 1.17A 3n2oC-3b40A:
5.8
3n2oD-3b40A:
7.0		 3n2oC-3b40A:
21.46
3n2oD-3b40A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Cytophaga
hutchinsonii) 		PF03009
(GDPD) 		4 SER A 105
ASP A 266
LEU A 267
ASP A 263
 EDO  A 286 (-3.9A)
None
None
EDO  A 279 (-4.4A)
 1.08A 3n2oC-3ch0A:
7.2
3n2oD-3ch0A:
9.6		 3n2oC-3ch0A:
17.57
3n2oD-3ch0A:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ASP A  40
LEU A 180
ASP A 107
ASP A 176
 None
 0.91A 3n2oC-3cmgA:
6.6
3n2oD-3cmgA:
6.2		 3n2oC-3cmgA:
22.27
3n2oD-3cmgA:
22.27
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 HIS A 418
ASP A  40
LEU A 180
ASP A 107
 None
 1.05A 3n2oC-3cmgA:
6.6
3n2oD-3cmgA:
6.2		 3n2oC-3cmgA:
22.27
3n2oD-3cmgA:
22.27
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		4 LYS A3072
LEU A3077
ASP A3144
ASP A3094
 ANP  A3400 (-2.6A)
None
MG  A3701 (-2.9A)
None
 1.09A 3n2oC-3cmvA:
undetectable
3n2oD-3cmvA:
undetectable		 3n2oC-3cmvA:
19.28
3n2oD-3cmvA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		4 ASP A 227
LEU A 230
TRP A   3
ASP A   1
 None
 1.11A 3n2oC-3fxbA:
undetectable
3n2oD-3fxbA:
undetectable		 3n2oC-3fxbA:
18.51
3n2oD-3fxbA:
18.51
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.
3gyg NTD BIOSYNTHESIS
OPERON PUTATIVE
HYDROLASE NTDB

(Bacillus
subtilis) 		PF05116
(S6PP) 		4 LYS A 209
LEU A 240
ASP A  25
ASP A 232
 None
None
MG  A 301 (-2.6A)
MG  A 301 (-2.7A)
 1.27A 3n2oC-3gygA:
undetectable
3n2oD-3gygA:
undetectable		 3n2oC-3gygA:
18.36
3n2oD-3gygA:
18.36
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.
3h5c PROTEIN Z-DEPENDENT
PROTEASE INHIBITOR
VITAMIN K-DEPENDENT
PROTEIN Z

(Homo sapiens) 		PF00008
(EGF)
PF00079
(Serpin)
PF00089
(Trypsin)
PF14670
(FXa_inhibition) 		4 ASP A  74
LEU A 289
ASP B 246
ASP A 238
 None
 1.18A 3n2oC-3h5cA:
undetectable
3n2oD-3h5cA:
undetectable		 3n2oC-3h5cA:
22.19
3n2oD-3h5cA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 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 LYS A1821
LEU A1834
TRP A1813
ASP A1772
 None
 0.83A 3n2oC-3hmjA:
4.5
3n2oD-3hmjA:
3.6		 3n2oC-3hmjA:
16.15
3n2oD-3hmjA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hr8 PROTEIN RECA

(Thermotoga
maritima) 		PF00154
(RecA) 		4 LYS A  74
LEU A  79
ASP A 146
ASP A  96
 None
 1.13A 3n2oC-3hr8A:
undetectable
3n2oD-3hr8A:
undetectable		 3n2oC-3hr8A:
21.95
3n2oD-3hr8A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5w CARBOHYDRATE KINASE

(Helicobacter
pylori) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		4 SER A 125
ASP A  12
LEU A 199
ASP A  56
 None
 1.18A 3n2oC-3k5wA:
2.5
3n2oD-3k5wA:
3.8		 3n2oC-3k5wA:
22.53
3n2oD-3k5wA:
22.53
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.
3kyd SUMO-ACTIVATING
ENZYME SUBUNIT 2

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL) 		4 SER B  55
LEU B 258
TRP B 188
ASP B  53
 None
 1.17A 3n2oC-3kydB:
undetectable
3n2oD-3kydB:
undetectable		 3n2oC-3kydB:
20.24
3n2oD-3kydB:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m9s NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT B

(Thermus
thermophilus) 		PF01058
(Oxidored_q6) 		4 ASP 6  76
LEU 6  36
TRP 6 104
ASP 6 134
 None
 1.11A 3n2oC-3m9s6:
undetectable
3n2oD-3m9s6:
undetectable		 3n2oC-3m9s6:
14.76
3n2oD-3m9s6:
14.76
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 SER A 473
ASP A 433
LEU A 434
ASP A 561
 None
 1.11A 3n2oC-3mosA:
3.5
3n2oD-3mosA:
undetectable		 3n2oC-3mosA:
22.36
3n2oD-3mosA:
22.36
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.
3nnm CURA

(Lyngbya
majuscula) 		PF05721
(PhyH) 		4 LYS A  54
HIS A  99
ASP A 166
LEU A 169
 FMT  A 750 ( 4.8A)
FMT  A 750 (-4.3A)
None
None
 1.07A 3n2oC-3nnmA:
undetectable
3n2oD-3nnmA:
undetectable		 3n2oC-3nnmA:
20.00
3n2oD-3nnmA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 LYS A  86
HIS A 233
SER A 236
ASP A 452
LEU A 523
 PLP  A 701 (-3.1A)
PLP  A 701 (-3.6A)
PLP  A 701 (-2.9A)
None
None
 0.67A 3n2oC-3nzpA:
38.2
3n2oD-3nzpA:
38.2		 3n2oC-3nzpA:
35.82
3n2oD-3nzpA:
35.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		4 LYS A 127
HIS A 272
SER A 275
ASP A 497
 None
None
SO4  A 701 (-2.6A)
None
 0.78A 3n2oC-3nzqA:
43.3
3n2oD-3nzqA:
43.3		 3n2oC-3nzqA:
53.68
3n2oD-3nzqA:
53.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		4 LYS A 127
HIS A 272
SER A 275
LEU A 572
 None
None
SO4  A 701 (-2.6A)
None
 0.98A 3n2oC-3nzqA:
43.3
3n2oD-3nzqA:
43.3		 3n2oC-3nzqA:
53.68
3n2oD-3nzqA:
53.68
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.
3pb9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE-LIK
E PROTEIN

(Homo sapiens) 		PF04389
(Peptidase_M28) 		4 ASP X 186
LEU X 270
ASP X 326
ASP X 327
 ZN  X 400 ( 2.1A)
1BN  X 390 ( 4.7A)
1BN  X 390 ( 4.2A)
None
 1.21A 3n2oC-3pb9X:
undetectable
3n2oD-3pb9X:
undetectable		 3n2oC-3pb9X:
20.57
3n2oD-3pb9X:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qqv GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		4 HIS A 124
SER A 114
ASP A 276
ASP A 108
 None
MG  A 382 ( 4.6A)
DMA  A 384 ( 4.8A)
MG  A 381 (-2.4A)
 1.22A 3n2oC-3qqvA:
4.9
3n2oD-3qqvA:
4.7		 3n2oC-3qqvA:
22.78
3n2oD-3qqvA:
22.78
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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		4 HIS A 100
SER A  64
ASP A 167
ASP A   7
 None
 1.21A 3n2oC-3t8iA:
undetectable
3n2oD-3t8iA:
undetectable		 3n2oC-3t8iA:
20.03
3n2oD-3t8iA:
20.03
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		4 LYS A 559
HIS A 263
ASP A 478
ASP A 290
 None
None
UNX  A 607 ( 2.6A)
None
 0.96A 3n2oC-3t8lA:
8.6
3n2oD-3t8lA:
7.7		 3n2oC-3t8lA:
23.33
3n2oD-3t8lA:
23.33
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.
3ubh NEURAL-CADHERIN

(Drosophila
melanogaster) 		PF00028
(Cadherin) 		4 SER A 786
ASP A 751
ASP A 783
ASP A 832
 None
CA  A 855 ( 2.5A)
CA  A 857 (-2.2A)
CA  A 857 (-3.5A)
 1.23A 3n2oC-3ubhA:
undetectable
3n2oD-3ubhA:
undetectable		 3n2oC-3ubhA:
19.97
3n2oD-3ubhA:
19.97
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 HIS A 103
LEU A  84
TRP A 190
ASP A 194
 None
 1.26A 3n2oC-3wn6A:
5.9
3n2oD-3wn6A:
2.4		 3n2oC-3wn6A:
20.28
3n2oD-3wn6A:
20.28
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.
3zu7 DESIGNED ANKYRIN
REPEAT PROTEIN

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2) 		4 LEU B  86
TRP B  81
ASP B  77
ASP B  79
 None
 0.90A 3n2oC-3zu7B:
undetectable
3n2oD-3zu7B:
undetectable		 3n2oC-3zu7B:
14.24
3n2oD-3zu7B:
14.24
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 HIS A 716
ASP A 507
ASP A 723
ASP A 691
 None
MG  A1768 (-2.5A)
MG  A1769 ( 3.9A)
MG  A1771 ( 2.7A)
 1.12A 3n2oC-4a01A:
undetectable
3n2oD-4a01A:
undetectable		 3n2oC-4a01A:
21.41
3n2oD-4a01A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 4 SER A  36
ASP A 267
LEU A 271
TRP A 283
 None
CL  A1329 ( 4.0A)
None
None
 1.18A 3n2oC-4as3A:
2.1
3n2oD-4as3A:
undetectable		 3n2oC-4as3A:
19.49
3n2oD-4as3A:
19.49
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 HIS A 681
ASP A 228
ASP A 688
ASP A 660
 None
MG  A1729 (-3.6A)
MG  A1731 (-3.3A)
PO4  A1727 (-2.9A)
 0.97A 3n2oC-4av6A:
undetectable
3n2oD-4av6A:
undetectable		 3n2oC-4av6A:
23.03
3n2oD-4av6A:
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 HIS A 681
ASP A 232
ASP A 688
ASP A 660
 None
MG  A1732 (-1.9A)
MG  A1731 (-3.3A)
PO4  A1727 (-2.9A)
 1.06A 3n2oC-4av6A:
undetectable
3n2oD-4av6A:
undetectable		 3n2oC-4av6A:
23.03
3n2oD-4av6A:
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.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 HIS A 275
SER A 247
ASP A 199
ASP A 244
 None
G39  A1470 ( 4.3A)
None
None
 1.19A 3n2oC-4b7jA:
undetectable
3n2oD-4b7jA:
undetectable		 3n2oC-4b7jA:
19.85
3n2oD-4b7jA:
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.
4c7q RNA-BINDING
GLYCINE-RICH PROTEIN

(Nicotiana
tabacum) 		PF00076
(RRM_1) 		4 SER A  46
ASP A  73
LEU A  72
ASP A  19
 None
 1.17A 3n2oC-4c7qA:
undetectable
3n2oD-4c7qA:
undetectable		 3n2oC-4c7qA:
9.33
3n2oD-4c7qA:
9.33
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		4 SER C  65
ASP C  16
LEU C 238
ASP C  38
 None
 0.99A 3n2oC-4ci0C:
undetectable
3n2oD-4ci0C:
undetectable		 3n2oC-4ci0C:
19.17
3n2oD-4ci0C:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci7 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		4 SER A  45
LEU A 260
ASP A 318
ASP A 320
 None
 1.22A 3n2oC-4ci7A:
undetectable
3n2oD-4ci7A:
undetectable		 3n2oC-4ci7A:
21.72
3n2oD-4ci7A:
21.72
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.
4czx PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		no annotation 4 LYS A 299
HIS A 249
LEU A   9
ASP A   5
 None
 1.11A 3n2oC-4czxA:
undetectable
3n2oD-4czxA:
undetectable		 3n2oC-4czxA:
18.24
3n2oD-4czxA:
18.24
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.
4dlq LATROPHILIN-1

(Rattus
norvegicus) 		PF01825
(GPS)
PF02793
(HRM)
PF16489
(GAIN) 		4 HIS A 646
ASP A 582
LEU A 581
ASP A 653
 None
 1.19A 3n2oC-4dlqA:
6.2
3n2oD-4dlqA:
7.1		 3n2oC-4dlqA:
21.90
3n2oD-4dlqA:
21.90
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.
4ee8 PRENYLTRANSFERASE

(Streptomyces
cinnamonensis) 		PF11468
(PTase_Orf2) 		4 SER A  44
ASP A   6
LEU A   7
ASP A  39
 None
 1.25A 3n2oC-4ee8A:
undetectable
3n2oD-4ee8A:
undetectable		 3n2oC-4ee8A:
19.50
3n2oD-4ee8A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eme M18 ASPARTYL
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF02127
(Peptidase_M18) 		4 SER A 330
ASP A  89
ASP A 435
ASP A 325
 None
None
ZN  A1001 (-2.0A)
ZN  A1002 ( 2.6A)
 1.26A 3n2oC-4emeA:
undetectable
3n2oD-4emeA:
undetectable		 3n2oC-4emeA:
19.97
3n2oD-4emeA:
19.97
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.
4f9u CG32412

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		4 ASP A 131
LEU A 219
ASP A 272
ASP A 273
 ZN  A 401 ( 2.3A)
None
PBD  A 402 ( 4.3A)
None
 1.22A 3n2oC-4f9uA:
undetectable
3n2oD-4f9uA:
undetectable		 3n2oC-4f9uA:
18.41
3n2oD-4f9uA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		4 ASP A 153
LEU A 229
ASP A 293
ASP A 294
 ZN  A 401 ( 2.1A)
PBD  A 402 (-4.8A)
PBD  A 402 ( 4.1A)
None
 1.21A 3n2oC-4faiA:
undetectable
3n2oD-4faiA:
undetectable		 3n2oC-4faiA:
19.66
3n2oD-4faiA:
19.66
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.
4fe4 XYLOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF12833
(HTH_18)
PF13377
(Peripla_BP_3) 		4 ASP A 219
TRP A 135
ASP A  63
ASP A  65
 None
 1.15A 3n2oC-4fe4A:
undetectable
3n2oD-4fe4A:
3.1		 3n2oC-4fe4A:
19.40
3n2oD-4fe4A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fva 5'-TYROSYL-DNA
PHOSPHODIESTERASE

(Caenorhabditis
elegans) 		PF03372
(Exo_endo_phos) 		4 HIS A 200
SER A 179
ASP A 161
LEU A 164
 None
 1.26A 3n2oC-4fvaA:
undetectable
3n2oD-4fvaA:
undetectable		 3n2oC-4fvaA:
17.39
3n2oD-4fvaA:
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.
4g2n D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE,
NAD-BINDING

(Polaromonas sp.
JS666) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASP A 201
LEU A 204
ASP A 225
ASP A 227
 None
 0.89A 3n2oC-4g2nA:
undetectable
3n2oD-4g2nA:
undetectable		 3n2oC-4g2nA:
21.59
3n2oD-4g2nA:
21.59
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.
4jjn REGULATORY PROTEIN
SIR3

(Saccharomyces
cerevisiae) 		PF01426
(BAH) 		4 LEU K  41
TRP K  11
ASP K   7
ASP K   9
 None
 1.20A 3n2oC-4jjnK:
undetectable
3n2oD-4jjnK:
undetectable		 3n2oC-4jjnK:
21.74
3n2oD-4jjnK:
21.74
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.
4lhu 9C2 TCR DELTA CHAIN
9C2 TCR GAMMA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 HIS G  37
TRP D  32
ASP D 105
ASP D  98
 None
 1.26A 3n2oC-4lhuG:
undetectable
3n2oD-4lhuG:
undetectable		 3n2oC-4lhuG:
17.67
3n2oD-4lhuG:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mhp GLUTAMINYL CYCLASE,
PUTATIVE

(Ixodes
scapularis) 		PF04389
(Peptidase_M28) 		4 ASP A 144
LEU A 239
ASP A 297
ASP A 298
 None
 1.21A 3n2oC-4mhpA:
undetectable
3n2oD-4mhpA:
undetectable		 3n2oC-4mhpA:
19.79
3n2oD-4mhpA:
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.
4nav HYPOTHETICAL PROTEIN
XCC279

(Xanthomonas
campestris) 		no annotation 4 LYS D  95
LEU D 126
ASP D  26
ASP D 118
 None
 1.23A 3n2oC-4navD:
undetectable
3n2oD-4navD:
undetectable		 3n2oC-4navD:
14.49
3n2oD-4navD:
14.49
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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		4 LYS A 148
SER A 211
ASP A 243
ASP A 235
 SO4  A 411 (-4.9A)
None
None
CA  A 401 (-2.2A)
 1.23A 3n2oC-4o6mA:
3.0
3n2oD-4o6mA:
3.2		 3n2oC-4o6mA:
21.32
3n2oD-4o6mA:
21.32
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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		4 HIS A 474
SER A 473
LEU A 581
ASP A 546
 None
 1.28A 3n2oC-4ojzA:
undetectable
3n2oD-4ojzA:
undetectable		 3n2oC-4ojzA:
22.38
3n2oD-4ojzA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppm AMINOTRANSFERASE

(Serratia sp.
FS14) 		PF00202
(Aminotran_3) 		4 ASP A 416
LEU A 395
ASP A 430
ASP A 429
 None
 1.22A 3n2oC-4ppmA:
undetectable
3n2oD-4ppmA:
undetectable		 3n2oC-4ppmA:
23.39
3n2oD-4ppmA:
23.39
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		4 SER A 285
LEU A  88
ASP A 149
ASP A 217
 None
 1.22A 3n2oC-4q0cA:
undetectable
3n2oD-4q0cA:
undetectable		 3n2oC-4q0cA:
23.57
3n2oD-4q0cA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 SER A 285
ASP A 559
ASP A 628
ASP A 436
 None
None
MG  A1731 ( 1.1A)
BEF  A1732 ( 2.0A)
 0.91A 3n2oC-4umvA:
undetectable
3n2oD-4umvA:
undetectable		 3n2oC-4umvA:
21.35
3n2oD-4umvA:
21.35
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.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 HIS A 383
ASP A  27
ASP A 402
ASP A 403
 None
 1.26A 3n2oC-4wzbA:
undetectable
3n2oD-4wzbA:
undetectable		 3n2oC-4wzbA:
20.88
3n2oD-4wzbA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypj BETA GALACTOSIDASE

(Bacillus
circulans) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 HIS A 346
SER A 188
LEU A  89
ASP A  84
 None
 1.23A 3n2oC-4ypjA:
8.5
3n2oD-4ypjA:
8.4		 3n2oC-4ypjA:
21.66
3n2oD-4ypjA:
21.66
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.
4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE

(Homo sapiens) 		PF04389
(Peptidase_M28) 		4 ASP A 159
LEU A 249
ASP A 305
ASP A 306
 ZN  A 401 (-2.1A)
None
None
None
 1.21A 3n2oC-4yu9A:
undetectable
3n2oD-4yu9A:
undetectable		 3n2oC-4yu9A:
20.06
3n2oD-4yu9A:
20.06
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.
5b01 MOEN5

(Streptomyces
viridosporus) 		no annotation 4 HIS A  28
ASP A 189
ASP A  76
ASP A  74
 None
 1.17A 3n2oC-5b01A:
4.8
3n2oD-5b01A:
4.7		 3n2oC-5b01A:
17.72
3n2oD-5b01A:
17.72
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		4 ASP A 670
LEU A 713
ASP A 230
ASP A 535
 MTT  A2001 (-3.3A)
MTT  A2001 ( 4.9A)
None
MTT  A2001 (-3.0A)
 1.22A 3n2oC-5d0fA:
4.0
3n2oD-5d0fA:
3.1		 3n2oC-5d0fA:
18.09
3n2oD-5d0fA:
18.09
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.
5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005

(uncultured
bacterium) 		PF02522
(Antibiotic_NAT) 		4 HIS A 168
SER A 205
ASP A  69
LEU A  67
 None
 1.04A 3n2oC-5ht0A:
undetectable
3n2oD-5ht0A:
undetectable		 3n2oC-5ht0A:
17.16
3n2oD-5ht0A:
17.16
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.
5kh1 INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 SER A 332
ASP A 294
LEU A 292
ASP A 282
 None
 1.22A 3n2oC-5kh1A:
undetectable
3n2oD-5kh1A:
undetectable		 3n2oC-5kh1A:
22.21
3n2oD-5kh1A:
22.21
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.
5kh1 INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 SER A 332
ASP A 294
LEU A 292
ASP A 282
 None
 1.23A 3n2oC-5kh1A:
undetectable
3n2oD-5kh1A:
undetectable		 3n2oC-5kh1A:
22.21
3n2oD-5kh1A:
22.21
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.
5kh1 INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 SER A 336
ASP A 294
LEU A 292
ASP A 282
 None
 1.02A 3n2oC-5kh1A:
undetectable
3n2oD-5kh1A:
undetectable		 3n2oC-5kh1A:
22.21
3n2oD-5kh1A:
22.21
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.
5m2o GROUP I DOCKERIN
PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		4 HIS A 121
LEU B  92
ASP B  41
ASP B  30
 None
None
CA  B 201 (-2.2A)
CA  B 201 (-3.2A)
 0.97A 3n2oC-5m2oA:
undetectable
3n2oD-5m2oA:
undetectable		 3n2oC-5m2oA:
12.15
3n2oD-5m2oA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2s DOC8: TYPE I
DOCKERIN REPEAT
DOMAIN FROM FAMILY 9
GLYCOSIDE HYDROLASE
WP_009982745[RUMINOC
OCCUS FLAVEFACIENS]
PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		no annotation 4 HIS A 121
LEU B 101
ASP B  41
ASP B  30
 None
None
CA  B 202 (-2.1A)
CA  B 202 (-3.2A)
 1.05A 3n2oC-5m2sA:
undetectable
3n2oD-5m2sA:
undetectable		 3n2oC-5m2sA:
12.46
3n2oD-5m2sA:
12.46
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.
5ndx GLYCOSYL HYDROLASE

(Rhizobium
leguminosarum) 		no annotation 4 HIS A 279
LEU A 310
ASP A 267
ASP A 313
 None
None
8U8  A 712 ( 4.8A)
8U8  A 712 (-3.6A)
 1.25A 3n2oC-5ndxA:
8.3
3n2oD-5ndxA:
2.3		 3n2oC-5ndxA:
8.25
3n2oD-5ndxA:
8.25
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.
5nx7 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus) 		no annotation 4 HIS A 152
LEU A  36
TRP A 330
ASP A  82
 None
 1.10A 3n2oC-5nx7A:
2.8
3n2oD-5nx7A:
3.2		 3n2oC-5nx7A:
17.86
3n2oD-5nx7A:
17.86
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.
5t95 PREPHENATE
DEHYDROGENASE 1

(Glycine max) 		PF02153
(PDH) 		4 HIS A 176
SER A 101
LEU A  24
ASP A  98
 None
NAP  A 301 ( 2.5A)
None
None
 1.19A 3n2oC-5t95A:
undetectable
3n2oD-5t95A:
3.0		 3n2oC-5t95A:
18.47
3n2oD-5t95A:
18.47
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.
6b7j 3-HYDROXYDECANOYL-[A
CYL-CARRIER-PROTEIN]
DEHYDRATASE

(Vibrio cholerae) 		no annotation 4 ASP A  64
LEU A  65
ASP A  38
ASP A  60
 None
 1.24A 3n2oC-6b7jA:
undetectable
3n2oD-6b7jA:
undetectable		 3n2oC-6b7jA:
14.83
3n2oD-6b7jA:
14.83
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.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens) 		no annotation 4 LYS A 385
LEU A 404
ASP A 327
ASP A 324
 None
 0.92A 3n2oC-6dd6A:
undetectable
3n2oD-6dd6A:
undetectable		 3n2oC-6dd6A:
undetectable
3n2oD-6dd6A:
undetectable