SIMILAR PATTERNS OF AMINO ACIDS FOR 2H4J_A_NCAA1002_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.
1dof ADENYLOSUCCINATE
LYASE

(Pyrobaculum
aerophilum) 		PF00206
(Lyase_1) 		4 ALA A 179
ILE A 181
ILE A  99
ASP A  98
 None
 1.09A 2h4jA-1dofA:
undetectable		 2h4jA-1dofA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ezr NUCLEOSIDE HYDROLASE

(Leishmania
major) 		PF01156
(IU_nuc_hydro) 		4 ALA A 105
ASN A 131
ILE A 132
ASP A   8
 None
 1.03A 2h4jA-1ezrA:
4.6		 2h4jA-1ezrA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 ALA A  91
ILE A  88
ILE A  39
ASP A  38
 None
 1.10A 2h4jA-1i0aA:
undetectable		 2h4jA-1i0aA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m5h FORMYLMETHANOFURAN--
TETRAHYDROMETHANOPTE
RIN
FORMYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01913
(FTR)
PF02741
(FTR_C) 		4 ALA A 279
ILE A 291
ASN A 165
ILE A 249
 None
 1.00A 2h4jA-1m5hA:
undetectable		 2h4jA-1m5hA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q14 HST2 PROTEIN

(Saccharomyces
cerevisiae) 		PF02146
(SIR2) 		4 ALA A  33
ASN A 116
ILE A 117
ASP A 118
 None
 0.28A 2h4jA-1q14A:
19.5		 2h4jA-1q14A:
34.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q1a HST2 PROTEIN

(Saccharomyces
cerevisiae) 		PF02146
(SIR2) 		5 ALA A  33
ILE A  41
ASN A 116
ILE A 117
ASP A 118
 OAD  A1001 (-3.9A)
None
None
OAD  A1001 ( 4.4A)
None
 0.23A 2h4jA-1q1aA:
20.9		 2h4jA-1q1aA:
37.41
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		4 ALA A 104
ASN A 129
ILE A 130
ASP A   9
 None
 1.09A 2h4jA-1q8fA:
4.0		 2h4jA-1q8fA:
21.85
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.
1rxw FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Archaeoglobus
fulgidus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 ALA A 261
ILE A 252
ILE A 230
ASP A 227
 None
 1.06A 2h4jA-1rxwA:
2.1		 2h4jA-1rxwA:
24.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		5 ALA A  49
ILE A  57
ASN A 130
ILE A 131
ASP A 132
 None
 0.37A 2h4jA-1s5pA:
19.9		 2h4jA-1s5pA:
33.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s7g NAD-DEPENDENT
DEACETYLASE 2

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ALA A  24
ILE A  32
ASN A 101
ILE A 102
ASP A 103
 NAD  A 703 (-3.8A)
1PE  A 504 ( 4.7A)
None
None
None
 0.34A 2h4jA-1s7gA:
27.1		 2h4jA-1s7gA:
42.86
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.
1shm ANTIBODY RIG

(Lama glama) 		PF07686
(V-set) 		4 ILE A  97
ASN A  52
ILE A  51
ASP A  33
 None
 1.07A 2h4jA-1shmA:
undetectable		 2h4jA-1shmA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tba TRANSCRIPTION
INITIATION FACTOR
IID 230K CHAIN
TRANSCRIPTION
INITIATION FACTOR
TFIID

(Drosophila
melanogaster;
Saccharomyces
cerevisiae) 		PF09247
(TBP-binding)
PF00352
(TBP) 		4 ALA B 113
ILE B 103
ILE A  28
ASP A  29
 None
 0.99A 2h4jA-1tbaB:
undetectable		 2h4jA-1tbaB:
23.26
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.
1tve HOMOSERINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		4 ALA A  96
ILE A  98
ASN A 116
ASP A  91
 None
 1.09A 2h4jA-1tveA:
2.6		 2h4jA-1tveA:
23.60
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.
1wcj HYPOTHETICAL PROTEIN
TM0487

(Thermotoga
maritima) 		PF01883
(FeS_assembly_P) 		4 ALA A  65
ILE A  61
ILE A  19
ASP A  20
 None
 1.08A 2h4jA-1wcjA:
undetectable		 2h4jA-1wcjA:
19.84
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.
2akk PHNA-LIKE PROTEIN

(Rhodopseudomonas
palustris) 		PF03831
(PhnA) 		4 ALA A  72
ASN A  18
ILE A  43
ASP A  17
 None
 1.09A 2h4jA-2akkA:
undetectable		 2h4jA-2akkA:
15.04
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.
2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		4 ALA A  58
ILE A  61
ASN A 271
ILE A 270
 None
 0.97A 2h4jA-2fncA:
undetectable		 2h4jA-2fncA:
21.15
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.
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae) 		PF02146
(SIR2)
PF04574
(DUF592) 		5 ALA A 263
ILE A 271
ASN A 345
ILE A 346
ASP A 347
 XYQ  A1222 (-3.4A)
NCA  A 900 (-4.6A)
None
NCA  A 900 (-4.6A)
None
 0.53A 2h4jA-2hjhA:
20.2		 2h4jA-2hjhA:
27.07
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.
2jbr P-HYDROXYPHENYLACETA
TE HYDROXYLASE C2
OXYGENASE COMPONENT

(Acinetobacter
baumannii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 ALA A 104
ILE A 277
ILE A 215
ASP A 389
 None
 0.99A 2h4jA-2jbrA:
undetectable		 2h4jA-2jbrA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lxn GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG] SUBUNIT A

(Methanocaldococcus
jannaschii) 		PF00117
(GATase) 		4 ILE A  38
ASN A  67
ILE A  64
ASP A  63
 None
 1.05A 2h4jA-2lxnA:
4.1		 2h4jA-2lxnA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ALA A  45
ILE A  47
ASN A  43
ASP A  41
 None
 1.05A 2h4jA-2o3jA:
4.1		 2h4jA-2o3jA:
21.55
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.
2pcu CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ALA A  66
ASN A  65
ILE A 193
ASP A 194
 None
 0.99A 2h4jA-2pcuA:
undetectable		 2h4jA-2pcuA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ALA A 500
ASN A 473
ILE A 471
ASP A 447
 None
None
None
MG  A1001 ( 2.8A)
 0.89A 2h4jA-2q27A:
12.5		 2h4jA-2q27A:
18.64
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.
2qe7 ATP SYNTHASE SUBUNIT
BETA

(Bacillus sp.
TA2.A1) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 ALA D  75
ASN D  28
ILE D  30
ASP D  72
 None
 1.04A 2h4jA-2qe7D:
undetectable		 2h4jA-2qe7D:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpq PROTEIN BUG27

(Bordetella
pertussis) 		PF03401
(TctC) 		4 ALA A 100
ASN A  98
ILE A  97
ASP A 273
 None
 1.09A 2h4jA-2qpqA:
undetectable		 2h4jA-2qpqA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v6j RNA HELICASE

(Kokobera virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 ALA A 235
ILE A 274
ILE A 284
ASP A 283
 None
 1.10A 2h4jA-2v6jA:
3.9		 2h4jA-2v6jA:
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.
2vt8 PROTEASOME INHIBITOR
PI31 SUBUNIT

(Homo sapiens) 		PF11566
(PI31_Prot_N) 		4 ALA A  14
ILE A  15
ASN A  59
ASP A  20
 None
None
None
CSO  A  17 ( 3.6A)
 0.96A 2h4jA-2vt8A:
undetectable		 2h4jA-2vt8A:
20.97
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.
2wsi FAD SYNTHETASE

(Saccharomyces
cerevisiae) 		PF01507
(PAPS_reduct) 		4 ALA A  33
ASN A 201
ILE A 202
ASP A 198
 None
 1.08A 2h4jA-2wsiA:
2.2		 2h4jA-2wsiA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyr COBALT-ACTIVATED
PEPTIDASE TET1

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		4 ALA A 211
ASN A  44
ILE A  46
ASP A  40
 None
 1.09A 2h4jA-2wyrA:
undetectable		 2h4jA-2wyrA:
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.
2x7q POSSIBLE THIAMINE
BIOSYNTHESIS ENZYME

(Candida
albicans) 		PF09084
(NMT1) 		4 ILE A  46
ASN A  72
ILE A  68
ASP A  67
 None
 0.76A 2h4jA-2x7qA:
undetectable		 2h4jA-2x7qA:
22.26
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.
2zwk PUTATIVE
TRANSLOCATED INTIMIN
RECEPTOR PROTEIN
(TRANSLOCATED
INTIMIN RECEPTOR
TIR)

(Escherichia
coli) 		PF03549
(Tir_receptor_M) 		4 ILE B  37
ASN B  35
ILE B  30
ASP B  31
 None
 1.02A 2h4jA-2zwkB:
undetectable		 2h4jA-2zwkB:
13.82
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.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		4 ILE A 229
ASN A 225
ILE A 224
ASP A 223
 None
ADN  A 401 (-4.9A)
ADN  A 401 (-3.7A)
ADN  A 401 (-2.6A)
 0.96A 2h4jA-3ay0A:
2.8		 2h4jA-3ay0A:
21.94
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.
3cai POSSIBLE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		4 ALA A 162
ASN A 118
ILE A 119
ASP A 114
 None
 1.06A 2h4jA-3caiA:
2.2		 2h4jA-3caiA:
22.03
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.
3dhv D-ALANINE-POLY(PHOSP
HORIBITOL) LIGASE

(Bacillus cereus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ALA A 192
ASN A 190
ILE A 203
ASP A 202
 None
 1.08A 2h4jA-3dhvA:
3.0		 2h4jA-3dhvA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ALA A 580
ASN A 579
ILE A 591
ASP A 588
 None
CA  A2000 (-2.8A)
None
CA  A2000 (-2.3A)
 1.04A 2h4jA-3ecqA:
undetectable		 2h4jA-3ecqA:
10.14
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.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ILE A 201
ASN A 157
ILE A 158
ASP A 159
 None
 0.91A 2h4jA-3gwjA:
undetectable		 2h4jA-3gwjA:
16.64
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.
3hvs THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		4 ILE A 145
ASN A 143
ILE A 138
ASP A 139
 None
 1.03A 2h4jA-3hvsA:
2.0		 2h4jA-3hvsA:
23.97
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.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		4 ALA A  50
ILE A  48
ASN A 201
ILE A 203
 None
 0.98A 2h4jA-3i44A:
3.6		 2h4jA-3i44A:
20.87
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.
3jd5 28S RIBOSOMAL
PROTEIN S22,
MITOCHONDRIAL

(Bos taurus) 		no annotation 4 ALA a 331
ILE a 341
ILE a 280
ASP a 281
 None
 1.00A 2h4jA-3jd5a:
undetectable		 2h4jA-3jd5a:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jr3 NAD-DEPENDENT
DEACETYLASE

(Thermotoga
maritima) 		PF02146
(SIR2) 		5 ALA A  22
ILE A  30
ASN A  99
ILE A 100
ASP A 101
 None
 0.29A 2h4jA-3jr3A:
40.5		 2h4jA-3jr3A:
99.59
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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		4 ALA A 135
ILE A 133
ASN A 137
ILE A 139
 None
 1.06A 2h4jA-3k9dA:
3.4		 2h4jA-3k9dA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll9 ISOPENTENYL
PHOSPHATE KINASE

(Methanothermobacter
thermautotrophicus) 		PF00696
(AA_kinase) 		4 ALA A 243
ASN A  25
ILE A  11
ASP A  22
 None
 0.82A 2h4jA-3ll9A:
3.4		 2h4jA-3ll9A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m8n POSSIBLE GLUTATHIONE
S-TRANSFERASE

(Rhodopseudomonas
palustris) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ALA A 162
ILE A 158
ASN A  68
ILE A  70
 None
 1.06A 2h4jA-3m8nA:
undetectable		 2h4jA-3m8nA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3npg UNCHARACTERIZED
DUF364 FAMILY
PROTEIN

(Pyrococcus
horikoshii) 		PF04016
(DUF364)
PF13938
(DUF4213) 		4 ALA A  47
ILE A 174
ASN A  89
ILE A  88
 None
 1.03A 2h4jA-3npgA:
7.0		 2h4jA-3npgA:
23.79
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.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		4 ALA A 126
ILE A  88
ILE A  93
ASP A  92
 None
 1.09A 2h4jA-3p09A:
undetectable		 2h4jA-3p09A:
22.55
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.
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A  87
ILE A 262
ILE A 213
ASP A 365
 None
 1.07A 2h4jA-3pfdA:
undetectable		 2h4jA-3pfdA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pkj NAD-DEPENDENT
DEACETYLASE
SIRTUIN-6

(Homo sapiens) 		PF02146
(SIR2) 		4 ALA A  51
ILE A  59
ASN A 112
ASP A 114
 A2N  A1000 (-3.5A)
None
None
None
 0.40A 2h4jA-3pkjA:
24.6		 2h4jA-3pkjA:
27.54
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.
3q71 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		4 ALA A1131
ASN A1178
ILE A1179
ASP A1175
 AR6  A 800 (-4.2A)
AR6  A 800 (-4.2A)
None
AR6  A 800 (-3.4A)
 1.00A 2h4jA-3q71A:
undetectable		 2h4jA-3q71A:
22.26
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.
3rb5 NA/CA EXCHANGE
PROTEIN

(Drosophila
melanogaster) 		PF03160
(Calx-beta) 		4 ALA A 474
ILE A 442
ILE A 470
ASP A 469
 None
 0.94A 2h4jA-3rb5A:
undetectable		 2h4jA-3rb5A:
21.50
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.
3s6h N-ACETYLGLUTAMATE
KINASE /
N-ACETYLGLUTAMATE
SYNTHASE

(Maricaulis
maris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		4 ALA A 230
ASN A 228
ILE A 227
ASP A 232
 None
 0.99A 2h4jA-3s6hA:
undetectable		 2h4jA-3s6hA:
20.09
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.
3s9j MEMBER OF DUF4221
FAMILY

(Bacteroides
vulgatus) 		PF13970
(DUF4221) 		4 ALA A 161
ASN A 160
ILE A 295
ASP A 229
 None
 1.02A 2h4jA-3s9jA:
undetectable		 2h4jA-3s9jA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgz HYDROXYACID OXIDASE
2

(Rattus
norvegicus) 		PF01070
(FMN_dh) 		4 ALA A 257
ILE A 259
ASN A  37
ILE A  38
 None
 1.09A 2h4jA-3sgzA:
undetectable		 2h4jA-3sgzA:
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.
3thz DNA MISMATCH REPAIR
PROTEIN MSH2

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 ALA A 573
ILE A 577
ASN A 477
ASP A 475
 None
 1.05A 2h4jA-3thzA:
undetectable		 2h4jA-3thzA:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upg OUTER MEMBRANE
PROTEIN C

(Salmonella
enterica) 		PF00267
(Porin_1) 		4 ILE A 310
ASN A 311
ILE A 329
ASP A 328
 None
None
None
CA  A 402 (-4.2A)
 1.07A 2h4jA-3upgA:
undetectable		 2h4jA-3upgA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x37 ZYRO0C14696P

(Zygosaccharomyces
rouxii) 		no annotation 4 ALA A  95
ILE A  97
ASN A  93
ILE A  92
 None
 1.06A 2h4jA-3x37A:
undetectable		 2h4jA-3x37A:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6

(Homo sapiens) 		PF02146
(SIR2) 		4 ALA A  51
ILE A  59
ASN A 112
ASP A 114
 APR  A1296 (-3.7A)
None
None
None
 0.33A 2h4jA-3zg6A:
23.9		 2h4jA-3zg6A:
34.47
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.
4bgf ARYLAMINE
N-ACETYLTRANSFERASE
NAT

(Mycobacterium
tuberculosis) 		PF00797
(Acetyltransf_2) 		4 ALA A 258
ILE A 260
ASN A 256
ILE A 255
 None
 1.09A 2h4jA-4bgfA:
undetectable		 2h4jA-4bgfA:
20.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bn5 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		5 ALA A 146
ILE A 154
ASN A 229
ILE A 230
ASP A 231
 CNA  A1395 (-3.1A)
CNA  A1395 (-3.8A)
CNA  A1395 (-3.7A)
SR7  A1396 (-4.8A)
CNA  A1395 (-3.5A)
 0.55A 2h4jA-4bn5A:
24.8		 2h4jA-4bn5A:
36.04
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.
4d86 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		4 ALA A1131
ASN A1178
ILE A1179
ASP A1175
 ADP  A1202 (-4.4A)
ADP  A1202 (-4.1A)
None
ADP  A1202 (-3.7A)
 1.03A 2h4jA-4d86A:
undetectable		 2h4jA-4d86A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dk0 PUTATIVE MACA

(Aggregatibacter
actinomycetemcomitans) 		PF16576
(HlyD_D23) 		4 ALA A 293
ILE A 221
ASN A 294
ILE A 296
 None
 1.06A 2h4jA-4dk0A:
undetectable		 2h4jA-4dk0A:
20.90
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		4 ALA A 399
ILE A  61
ILE A 421
ASP A 322
 None
 1.06A 2h4jA-4e4jA:
undetectable		 2h4jA-4e4jA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e9l ATTACHING AND
EFFACING PROTEIN,
PATHOGENESIS FACTOR

(Escherichia
coli) 		PF09134
(Invasin_D3) 		4 ALA A 758
ASN A 818
ILE A 820
ASP A 814
 None
 1.08A 2h4jA-4e9lA:
undetectable		 2h4jA-4e9lA:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		4 ALA A  59
ASN A 141
ILE A 142
ASP A 143
 CNA  A 402 (-3.0A)
CNA  A 402 (-4.1A)
CNA  A 402 (-4.7A)
CNA  A 402 (-3.7A)
 0.20A 2h4jA-4g1cA:
24.4		 2h4jA-4g1cA:
30.29
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.
4gk9 AGGLUTININ (BOA)

(Burkholderia
oklahomensis) 		no annotation 4 ALA A  43
ILE A 113
ASN A  45
ILE A  46
 None
 0.91A 2h4jA-4gk9A:
undetectable		 2h4jA-4gk9A:
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.
4h18 CMT1

(Corynebacterium
glutamicum) 		PF00756
(Esterase) 		4 ALA A  92
ILE A  90
ASN A 133
ILE A 102
 None
 1.07A 2h4jA-4h18A:
undetectable		 2h4jA-4h18A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Aneurinibacillus
thermoaerophilus) 		PF00483
(NTP_transferase) 		4 ALA A 203
ILE A 187
ILE A 197
ASP A 199
 None
 1.05A 2h4jA-4ho4A:
undetectable		 2h4jA-4ho4A:
23.95
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.
4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae) 		PF02146
(SIR2)
PF04574
(DUF592) 		5 ALA A 263
ILE A 271
ASN A 345
ILE A 346
ASP A 347
 APR  A 602 (-3.3A)
None
None
None
None
 0.53A 2h4jA-4iaoA:
20.7		 2h4jA-4iaoA:
21.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ig9 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		4 ALA A 262
ASN A 346
ILE A 347
ASP A 348
 None
 0.32A 2h4jA-4ig9A:
21.5		 2h4jA-4ig9A:
34.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ig9 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		4 ILE A 270
ASN A 346
ILE A 347
ASP A 348
 None
 0.67A 2h4jA-4ig9A:
21.5		 2h4jA-4ig9A:
34.17
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.
4igl YENB
YENC2

(Yersinia
entomophaga;
Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN)
no annotation 		4 ILE A1088
ASN B  77
ILE B  79
ASP B  73
 None
 0.93A 2h4jA-4iglA:
undetectable		 2h4jA-4iglA:
10.61
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  34
ASN A  58
ILE A  62
ASP A  11
 None
 0.90A 2h4jA-4ip4A:
undetectable		 2h4jA-4ip4A:
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.
4kpk ENOYL-COA
HYDRATASE/ISOMERASE

(Shewanella
pealeana) 		PF00378
(ECH_1) 		4 ILE A 138
ASN A 197
ILE A 196
ASP A 195
 None
 1.08A 2h4jA-4kpkA:
undetectable		 2h4jA-4kpkA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9a ACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A  77
ILE A 253
ILE A 204
ASP A 355
 None
 1.03A 2h4jA-4m9aA:
undetectable		 2h4jA-4m9aA:
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.
4n5f PUTATIVE ACYL-COA
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A  77
ILE A 253
ILE A 204
ASP A 355
 None
 1.05A 2h4jA-4n5fA:
undetectable		 2h4jA-4n5fA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		4 ALA A  60
ILE A  15
ASN A  54
ILE A  52
 None
 0.96A 2h4jA-4o5fA:
undetectable		 2h4jA-4o5fA:
20.50
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.
4oxr MANGANESE ABC
TRANSPORTER,
PERIPLASMIC-BINDING
PROTEIN SITA

(Staphylococcus
pseudintermedius) 		PF01297
(ZnuA) 		4 ALA A 138
ILE A 122
ILE A 134
ASP A 135
 None
 1.09A 2h4jA-4oxrA:
undetectable		 2h4jA-4oxrA:
21.02
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		4 ALA A  36
ASN A  35
ILE A  22
ASP A  21
 None
 1.06A 2h4jA-4tqkA:
undetectable		 2h4jA-4tqkA:
18.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		4 ALA A  21
ILE A  29
ASN A  99
ASP A 101
 None
 0.59A 2h4jA-4twiA:
27.2		 2h4jA-4twiA:
40.55
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.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 ALA A 269
ILE A 426
ASN A 430
ILE A 432
 None
 1.10A 2h4jA-4uplA:
undetectable		 2h4jA-4uplA:
19.74
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.
4x8i LYSYL AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF05343
(Peptidase_M42) 		4 ALA A 214
ASN A  46
ILE A  48
ASP A  42
 None
 1.06A 2h4jA-4x8iA:
undetectable		 2h4jA-4x8iA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4y6o NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 ALA A  85
ILE A  93
ASN A 168
ILE A 169
ASP A 170
 None
 0.36A 2h4jA-4y6oA:
26.9		 2h4jA-4y6oA:
34.97
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.
4zzh NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		4 ALA A 262
ASN A 346
ILE A 347
ASP A 348
 None
 0.34A 2h4jA-4zzhA:
20.5		 2h4jA-4zzhA:
28.74
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.
4zzh NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		4 ILE A 270
ASN A 346
ILE A 347
ASP A 348
 None
 0.57A 2h4jA-4zzhA:
20.5		 2h4jA-4zzhA:
28.74
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ALA A 580
ASN A 579
ILE A 591
ASP A 588
 None
CA  A2419 (-3.0A)
None
CA  A2419 (-2.2A)
 1.07A 2h4jA-5a55A:
undetectable		 2h4jA-5a55A:
12.67
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.
5btr NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		5 ALA A 262
ILE A 270
ASN A 346
ILE A 347
ASP A 348
 None
 0.37A 2h4jA-5btrA:
20.3		 2h4jA-5btrA:
29.60
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ALA A 753
ILE A 501
ILE A 505
ASP A 504
 None
 1.02A 2h4jA-5chcA:
2.1		 2h4jA-5chcA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dku PREX DNA POLYMERASE

(Plasmodium
falciparum) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		4 ILE A 399
ASN A 263
ILE A 397
ASP A 260
 None
 1.06A 2h4jA-5dkuA:
undetectable		 2h4jA-5dkuA:
16.80
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ALA A 145
ILE A 107
ASN A 151
ILE A 153
 None
 1.06A 2h4jA-5dmyA:
undetectable		 2h4jA-5dmyA:
12.08
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.
5fxy METASTASIS-ASSOCIATE
D PROTEIN MTA1

(Homo sapiens) 		PF17226
(MTA_R1) 		4 ALA B 506
ILE B 508
ASN B 504
ILE B 503
 None
 1.06A 2h4jA-5fxyB:
undetectable		 2h4jA-5fxyB:
15.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fyq NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 ALA A  85
ILE A  93
ASN A 168
ILE A 169
ASP A 170
 SO4  A1357 ( 4.1A)
None
None
None
None
 0.36A 2h4jA-5fyqA:
21.9		 2h4jA-5fyqA:
30.54
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.
5k47 POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		4 ALA A 647
ILE A 649
ASN A 645
ILE A 644
 None
 1.05A 2h4jA-5k47A:
undetectable		 2h4jA-5k47A:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		4 ALA A 363
ASN A 362
ILE A 301
ASP A 304
 None
None
None
MN  A 603 (-2.6A)
 1.06A 2h4jA-5nthA:
undetectable		 2h4jA-5nthA:
17.66
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.
5oj7 NAD-DEPENDENT
PROTEIN DEACYLASE

(Xenopus
tropicalis) 		no annotation 4 ALA A  62
ILE A  70
ASN A 143
ASP A 145
 AR6  A 401 (-3.6A)
None
None
None
 0.26A 2h4jA-5oj7A:
22.9		 2h4jA-5oj7A:
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.
5ol0 PUTATIVE SILENT
INFORMATION
REGULATOR 2,PUTATIVE
SILENT INFORMATION
REGULATOR 2

(Leishmania
infantum) 		no annotation 5 ALA A  40
ILE A  48
ASN A 125
ILE A 126
ASP A 127
 None
 0.37A 2h4jA-5ol0A:
21.7		 2h4jA-5ol0A:
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.
5thx FERREDOXIN--NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 ALA A  58
ASN A  34
ILE A 125
ASP A 128
 None
 1.08A 2h4jA-5thxA:
3.7		 2h4jA-5thxA:
23.23
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.
5vto BLASTICIDIN M

(Streptomyces
griseochromogenes) 		no annotation 4 ALA A  21
ASN A  59
ILE A  84
ASP A  80
 None
 1.03A 2h4jA-5vtoA:
6.6		 2h4jA-5vtoA:
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.
5w7q CONSENSUS ELONGATION
FACTOR

(synthetic
construct) 		no annotation 4 ALA A  53
ASN A  64
ILE A  63
ASP A  87
 None
 1.05A 2h4jA-5w7qA:
2.7		 2h4jA-5w7qA:
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.
5ygu DIAMINOPIMELATE
EPIMERASE

(Escherichia
coli) 		no annotation 4 ALA A  65
ILE A  30
ASN A  64
ILE A  62
 None
 1.09A 2h4jA-5yguA:
undetectable		 2h4jA-5yguA:
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.
6d1w POLYCYSTIN-2

(Homo sapiens) 		no annotation 4 ALA A 647
ILE A 649
ASN A 645
ILE A 644
 None
 0.86A 2h4jA-6d1wA:
undetectable		 2h4jA-6d1wA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 4 ALA A  55
ASN A 137
ILE A 138
ASP A 139
 BJW  A 303 (-3.5A)
None
BJW  A 303 (-3.9A)
None
 0.17A 2h4jA-6enxA:
23.4		 2h4jA-6enxA:
32.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		4 ALA A  34
ILE A  32
ASN A  83
ILE A  82
 None
None
None
NIU  A 100 (-4.6A)
 1.06A 2h4jA-6upjA:
undetectable		 2h4jA-6upjA:
21.36