SIMILAR PATTERNS OF AMINO ACIDS FOR 2HDN_J_TACJ5888_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.
1dcu FRUCTOSE-1,6-BISPHOS
PHATASE

(Pisum sativum) 		PF00316
(FBPase) 		4 ASP A 126
PRO A 110
SER A  85
VAL A  83
 None
 1.25A 2hdnI-1dcuA:
0.0
2hdnJ-1dcuA:
undetectable
2hdnL-1dcuA:
undetectable		 2hdnI-1dcuA:
8.20
2hdnJ-1dcuA:
22.92
2hdnL-1dcuA:
22.92
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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 THR A  52
SER A  21
ASP A  55
VAL A  31
 None
 1.17A 2hdnI-1ddkA:
undetectable
2hdnJ-1ddkA:
undetectable
2hdnL-1ddkA:
undetectable		 2hdnI-1ddkA:
11.70
2hdnJ-1ddkA:
20.59
2hdnL-1ddkA:
20.59
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.
1fps FARNESYL DIPHOSPHATE
SYNTHASE

(Gallus gallus) 		PF00348
(polyprenyl_synt) 		4 THR A 274
ASP A 261
SER A 282
VAL A 285
 None
 1.18A 2hdnI-1fpsA:
0.0
2hdnJ-1fpsA:
undetectable
2hdnL-1fpsA:
undetectable		 2hdnI-1fpsA:
8.18
2hdnJ-1fpsA:
21.99
2hdnL-1fpsA:
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.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 THR A 183
SER A 134
SER A 133
VAL A  63
 ADP  A 400 ( 3.1A)
ADP  A 400 ( 4.5A)
ADP  A 400 (-3.1A)
ADP  A 400 (-4.0A)
 1.29A 2hdnI-1h74A:
0.0
2hdnJ-1h74A:
undetectable
2hdnL-1h74A:
undetectable		 2hdnI-1h74A:
13.11
2hdnJ-1h74A:
22.13
2hdnL-1h74A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ihp PHYTASE

(Aspergillus
ficuum) 		PF00328
(His_Phos_2) 		4 THR A  65
ASP A 103
SER A 140
VAL A 143
 None
 1.24A 2hdnI-1ihpA:
0.0
2hdnJ-1ihpA:
undetectable
2hdnL-1ihpA:
undetectable		 2hdnI-1ihpA:
8.84
2hdnJ-1ihpA:
21.88
2hdnL-1ihpA:
21.88
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.
1kht ADENYLATE KINASE

(Methanococcus
voltae) 		PF13207
(AAA_17) 		4 THR A  17
SER A  38
ASP A  90
SER A  41
 None
 1.04A 2hdnI-1khtA:
0.0
2hdnJ-1khtA:
2.9
2hdnL-1khtA:
3.0		 2hdnI-1khtA:
11.92
2hdnJ-1khtA:
19.83
2hdnL-1khtA:
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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		4 THR A 414
SER A 452
SER A 449
VAL A  74
 None
 1.30A 2hdnI-1mf1A:
0.0
2hdnJ-1mf1A:
2.6
2hdnL-1mf1A:
2.3		 2hdnI-1mf1A:
6.43
2hdnJ-1mf1A:
22.32
2hdnL-1mf1A:
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.
1o4u TYPE II QUINOLIC
ACID
PHOSPHORIBOSYLTRANSF
ERASE

(Thermotoga
maritima) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 SER A 234
ASP A 208
SER A 254
VAL A 252
 None
 0.96A 2hdnI-1o4uA:
undetectable
2hdnJ-1o4uA:
undetectable
2hdnL-1o4uA:
2.6		 2hdnI-1o4uA:
8.74
2hdnJ-1o4uA:
23.56
2hdnL-1o4uA:
23.56
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.
1o8p PUTATUVE
ENDO-XYLANASE

([Clostridium]
stercorarium) 		PF03422
(CBM_6) 		4 SER A  24
ASP A  69
SER A  27
VAL A 145
 None
 1.17A 2hdnI-1o8pA:
undetectable
2hdnJ-1o8pA:
undetectable
2hdnL-1o8pA:
undetectable		 2hdnI-1o8pA:
17.36
2hdnJ-1o8pA:
19.94
2hdnL-1o8pA:
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.
1pp0 VOLVATOXIN A2

(Volvariella
volvacea) 		PF01338
(Bac_thur_toxin) 		4 SER A 139
ASP A  11
SER A 152
VAL A 154
 None
 0.56A 2hdnI-1pp0A:
undetectable
2hdnJ-1pp0A:
undetectable
2hdnL-1pp0A:
undetectable		 2hdnI-1pp0A:
13.16
2hdnJ-1pp0A:
19.40
2hdnL-1pp0A:
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		4 THR 1  42
SER 3 116
ASP 3  50
VAL 3 166
 None
 1.21A 2hdnI-1r1a1:
undetectable
2hdnJ-1r1a1:
undetectable
2hdnL-1r1a1:
undetectable		 2hdnI-1r1a1:
8.64
2hdnJ-1r1a1:
21.14
2hdnL-1r1a1:
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		4 THR 1  42
SER 3 116
SER 3 164
VAL 3 166
 None
 1.15A 2hdnI-1r1a1:
undetectable
2hdnJ-1r1a1:
undetectable
2hdnL-1r1a1:
undetectable		 2hdnI-1r1a1:
8.64
2hdnJ-1r1a1:
21.14
2hdnL-1r1a1:
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.
1rni ORF904

(Sulfolobus
islandicus) 		PF09250
(Prim-Pol) 		4 SER A 150
ASP A 152
PRO A 154
VAL A 108
 None
 1.29A 2hdnI-1rniA:
undetectable
2hdnJ-1rniA:
undetectable
2hdnL-1rniA:
undetectable		 2hdnI-1rniA:
9.39
2hdnJ-1rniA:
20.23
2hdnL-1rniA:
20.23
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.
1vkd CONSERVED
HYPOTHETICAL PROTEIN
TM1225

(Thermotoga
maritima) 		PF04041
(Glyco_hydro_130) 		4 SER A  76
ASP A  78
PRO A  12
VAL A  49
 None
 1.18A 2hdnI-1vkdA:
undetectable
2hdnJ-1vkdA:
undetectable
2hdnL-1vkdA:
undetectable		 2hdnI-1vkdA:
8.36
2hdnJ-1vkdA:
21.56
2hdnL-1vkdA:
21.56
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 ASP A 311
PRO A 474
SER A 364
VAL A 368
 None
 1.17A 2hdnI-1vkoA:
undetectable
2hdnJ-1vkoA:
2.6
2hdnL-1vkoA:
2.0		 2hdnI-1vkoA:
4.88
2hdnJ-1vkoA:
22.52
2hdnL-1vkoA:
22.52
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		4 THR A 464
SER A 110
ASP A 461
SER A 100
 None
 1.25A 2hdnI-1w18A:
undetectable
2hdnJ-1w18A:
undetectable
2hdnL-1w18A:
undetectable		 2hdnI-1w18A:
6.60
2hdnJ-1w18A:
20.28
2hdnL-1w18A:
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.
1y6j L-LACTATE
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A 182
ASP A 181
SER A 304
VAL A 308
 None
 1.13A 2hdnI-1y6jA:
undetectable
2hdnJ-1y6jA:
2.5
2hdnL-1y6jA:
2.5		 2hdnI-1y6jA:
10.07
2hdnJ-1y6jA:
23.36
2hdnL-1y6jA:
23.36
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.
2drw D-AMINO ACID AMIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase) 		4 THR A 324
SER A 302
ASP A 321
SER A 301
 None
 1.28A 2hdnI-2drwA:
undetectable
2hdnJ-2drwA:
undetectable
2hdnL-2drwA:
undetectable		 2hdnI-2drwA:
9.25
2hdnJ-2drwA:
20.21
2hdnL-2drwA:
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.
2dup VESICULAR
INTEGRAL-MEMBRANE
PROTEIN VIP36

(Canis lupus) 		PF03388
(Lectin_leg-like) 		4 SER A  71
PRO A  73
SER A  69
VAL A  67
 None
 1.29A 2hdnI-2dupA:
undetectable
2hdnJ-2dupA:
undetectable
2hdnL-2dupA:
undetectable		 2hdnI-2dupA:
11.90
2hdnJ-2dupA:
21.70
2hdnL-2dupA:
21.70
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		4 THR A 631
ASP A 802
SER A 800
VAL A 738
 None
 1.10A 2hdnI-2g28A:
undetectable
2hdnJ-2g28A:
undetectable
2hdnL-2g28A:
undetectable		 2hdnI-2g28A:
3.90
2hdnJ-2g28A:
18.93
2hdnL-2g28A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jbm NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Homo sapiens) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 SER A 250
ASP A 224
SER A 270
VAL A 268
 None
 1.11A 2hdnI-2jbmA:
undetectable
2hdnJ-2jbmA:
undetectable
2hdnL-2jbmA:
2.1		 2hdnI-2jbmA:
9.47
2hdnJ-2jbmA:
22.91
2hdnL-2jbmA:
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.
2kpk MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00595
(PDZ) 		4 THR A 112
ASP A 109
PRO A 107
VAL A  32
 None
 1.10A 2hdnI-2kpkA:
undetectable
2hdnJ-2kpkA:
undetectable
2hdnL-2kpkA:
undetectable		 2hdnI-2kpkA:
15.32
2hdnJ-2kpkA:
17.01
2hdnL-2kpkA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pce PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A  65
SER A 273
ASP A 100
VAL A 301
 None
 1.29A 2hdnI-2pceA:
undetectable
2hdnJ-2pceA:
2.0
2hdnL-2pceA:
2.3		 2hdnI-2pceA:
7.87
2hdnJ-2pceA:
21.67
2hdnL-2pceA:
21.67
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.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 SER A 738
ASP A 739
SER A 803
VAL A 807
 None
 1.25A 2hdnI-2qobA:
undetectable
2hdnJ-2qobA:
undetectable
2hdnL-2qobA:
undetectable		 2hdnI-2qobA:
8.56
2hdnJ-2qobA:
22.25
2hdnL-2qobA:
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		4 THR A 327
ASP A  67
SER A 105
VAL A 101
 None
 0.91A 2hdnI-2qs8A:
undetectable
2hdnJ-2qs8A:
2.5
2hdnL-2qs8A:
2.5		 2hdnI-2qs8A:
9.97
2hdnJ-2qs8A:
23.65
2hdnL-2qs8A:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		4 SER A 792
ASP A 793
SER A 857
VAL A 861
 None
 0.94A 2hdnI-2r2pA:
undetectable
2hdnJ-2r2pA:
undetectable
2hdnL-2r2pA:
undetectable		 2hdnI-2r2pA:
9.06
2hdnJ-2r2pA:
22.99
2hdnL-2r2pA:
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.
2vxb DNA REPAIR PROTEIN
RHP9

(Schizosaccharomyces
pombe) 		PF00533
(BRCT) 		4 THR A 258
SER A 254
ASP A 255
SER A 252
 None
 1.29A 2hdnI-2vxbA:
undetectable
2hdnJ-2vxbA:
undetectable
2hdnL-2vxbA:
undetectable		 2hdnI-2vxbA:
9.64
2hdnJ-2vxbA:
21.15
2hdnL-2vxbA:
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.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		4 THR A  43
SER A 531
SER A 495
VAL A 497
 None
 0.78A 2hdnI-2wyoA:
undetectable
2hdnJ-2wyoA:
undetectable
2hdnL-2wyoA:
undetectable		 2hdnI-2wyoA:
4.86
2hdnJ-2wyoA:
19.82
2hdnL-2wyoA:
19.82
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 THR A 241
SER A 195
ASP A 209
VAL A 192
 None
 1.12A 2hdnI-2xr1A:
undetectable
2hdnJ-2xr1A:
undetectable
2hdnL-2xr1A:
undetectable		 2hdnI-2xr1A:
6.81
2hdnJ-2xr1A:
20.68
2hdnL-2xr1A:
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.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 SER A 738
ASP A 739
SER A 803
VAL A 807
 None
 1.19A 2hdnI-2xyuA:
undetectable
2hdnJ-2xyuA:
undetectable
2hdnL-2xyuA:
undetectable		 2hdnI-2xyuA:
12.77
2hdnJ-2xyuA:
22.68
2hdnL-2xyuA:
22.68
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 THR A 241
SER A 194
ASP A 208
VAL A 191
 None
 1.20A 2hdnI-2ycbA:
undetectable
2hdnJ-2ycbA:
undetectable
2hdnL-2ycbA:
undetectable		 2hdnI-2ycbA:
6.49
2hdnJ-2ycbA:
19.88
2hdnL-2ycbA:
19.88
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.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 SER B  57
ASP B  91
SER B  69
VAL B  67
 None
 1.13A 2hdnI-2yntB:
undetectable
2hdnJ-2yntB:
undetectable
2hdnL-2yntB:
undetectable		 2hdnI-2yntB:
9.44
2hdnJ-2yntB:
21.20
2hdnL-2yntB:
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		4 THR A 393
SER A 180
PRO A 448
VAL A 184
 None
 1.15A 2hdnI-3a2qA:
undetectable
2hdnJ-3a2qA:
undetectable
2hdnL-3a2qA:
undetectable		 2hdnI-3a2qA:
6.47
2hdnJ-3a2qA:
21.96
2hdnL-3a2qA:
21.96
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.
3ab0 ANTIBODY SCFV
FRAGMENT, HEAVY
CHAIN
ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN

(Mus musculus) 		PF07686
(V-set) 		4 SER B  50
PRO C  96
SER B  35
VAL B  37
 None
 1.21A 2hdnI-3ab0B:
undetectable
2hdnJ-3ab0B:
undetectable
2hdnL-3ab0B:
undetectable		 2hdnI-3ab0B:
14.29
2hdnJ-3ab0B:
16.51
2hdnL-3ab0B:
16.51
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 THR A 255
SER A 203
ASP A 217
VAL A 200
 None
 1.12A 2hdnI-3af5A:
undetectable
2hdnJ-3af5A:
undetectable
2hdnL-3af5A:
undetectable		 2hdnI-3af5A:
4.77
2hdnJ-3af5A:
18.50
2hdnL-3af5A:
18.50
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 SER A 123
ASP A 120
SER A  73
VAL A  98
 None
 1.18A 2hdnI-3b5qA:
undetectable
2hdnJ-3b5qA:
undetectable
2hdnL-3b5qA:
undetectable		 2hdnI-3b5qA:
6.51
2hdnJ-3b5qA:
21.22
2hdnL-3b5qA:
21.22
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.
3bl5 QUEUOSINE
BIOSYNTHESIS PROTEIN
QUEC

(Bacillus
subtilis) 		PF06508
(QueC) 		4 SER A  16
ASP A  15
SER A  11
VAL A   9
 MG  A 400 (-3.0A)
PO4  A 500 (-3.5A)
MG  A 400 (-3.0A)
None
 1.30A 2hdnI-3bl5A:
undetectable
2hdnJ-3bl5A:
4.3
2hdnL-3bl5A:
undetectable		 2hdnI-3bl5A:
9.59
2hdnJ-3bl5A:
21.43
2hdnL-3bl5A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 SER A 313
ASP A 278
SER A 256
VAL A 254
 None
 0.84A 2hdnI-3dqqA:
undetectable
2hdnJ-3dqqA:
1.7
2hdnL-3dqqA:
1.9		 2hdnI-3dqqA:
8.62
2hdnJ-3dqqA:
21.92
2hdnL-3dqqA:
21.92
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 THR A 788
SER A 198
ASP A 822
SER A 195
 MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
MD1  A1245 ( 4.5A)
 1.18A 2hdnI-3egwA:
undetectable
2hdnJ-3egwA:
2.2
2hdnL-3egwA:
undetectable		 2hdnI-3egwA:
5.14
2hdnJ-3egwA:
14.04
2hdnL-3egwA:
14.04
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.
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 THR H  22
SER H  27
ASP H  26
VAL H 200
 None
 1.18A 2hdnI-3f6uH:
undetectable
2hdnJ-3f6uH:
undetectable
2hdnL-3f6uH:
undetectable		 2hdnI-3f6uH:
9.21
2hdnJ-3f6uH:
20.81
2hdnL-3f6uH:
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.
3fbq CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13786
(DUF4179) 		4 THR A  57
SER A  28
ASP A  46
VAL A 174
 None
 1.30A 2hdnI-3fbqA:
undetectable
2hdnJ-3fbqA:
undetectable
2hdnL-3fbqA:
undetectable		 2hdnI-3fbqA:
10.00
2hdnJ-3fbqA:
22.34
2hdnL-3fbqA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gra TRANSCRIPTIONAL
REGULATOR, ARAC
FAMILY

(Pseudomonas
putida) 		PF01965
(DJ-1_PfpI) 		4 SER A  41
ASP A  78
SER A  44
VAL A  47
 None
 1.32A 2hdnI-3graA:
undetectable
2hdnJ-3graA:
3.2
2hdnL-3graA:
2.2		 2hdnI-3graA:
10.31
2hdnJ-3graA:
21.01
2hdnL-3graA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A 513
SER A 489
ASP A 474
VAL A 553
 None
 1.30A 2hdnI-3icsA:
undetectable
2hdnJ-3icsA:
undetectable
2hdnL-3icsA:
undetectable		 2hdnI-3icsA:
5.70
2hdnJ-3icsA:
21.15
2hdnL-3icsA:
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.
3kbr CYCLOHEXADIENYL
DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00497
(SBP_bac_3) 		4 THR A  83
SER A 102
SER A  51
VAL A  64
 None
 1.14A 2hdnI-3kbrA:
undetectable
2hdnJ-3kbrA:
undetectable
2hdnL-3kbrA:
undetectable		 2hdnI-3kbrA:
10.50
2hdnJ-3kbrA:
20.89
2hdnL-3kbrA:
20.89
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.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		4 SER A 134
ASP A 129
SER A 150
VAL A 148
 None
 1.03A 2hdnI-3kd8A:
undetectable
2hdnJ-3kd8A:
undetectable
2hdnL-3kd8A:
undetectable		 2hdnI-3kd8A:
6.17
2hdnJ-3kd8A:
23.09
2hdnL-3kd8A:
23.09
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.
3krb ALDOSE REDUCTASE

(Giardia
intestinalis) 		PF00248
(Aldo_ket_red) 		4 THR A  69
ASP A  35
SER A 259
VAL A 200
 None
NAP  A 400 (-3.7A)
None
None
 1.29A 2hdnI-3krbA:
undetectable
2hdnJ-3krbA:
undetectable
2hdnL-3krbA:
2.0		 2hdnI-3krbA:
7.86
2hdnJ-3krbA:
20.54
2hdnL-3krbA:
20.54
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.
3kul EPHRIN TYPE-A
RECEPTOR 8

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		4 SER A 752
ASP A 753
SER A 817
VAL A 821
 None
SO4  A 910 ( 4.1A)
None
None
 1.26A 2hdnI-3kulA:
undetectable
2hdnJ-3kulA:
undetectable
2hdnL-3kulA:
undetectable		 2hdnI-3kulA:
9.00
2hdnJ-3kulA:
23.51
2hdnL-3kulA:
23.51
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		4 THR A  36
ASP A  42
SER A  85
VAL A  57
 None
 1.12A 2hdnI-3l2zA:
undetectable
2hdnJ-3l2zA:
undetectable
2hdnL-3l2zA:
undetectable		 2hdnI-3l2zA:
7.92
2hdnJ-3l2zA:
25.42
2hdnL-3l2zA:
25.42
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.
3m1y PHOSPHOSERINE
PHOSPHATASE (SERB)

(Helicobacter
pylori) 		PF00702
(Hydrolase) 		4 THR A  18
SER A  96
ASP A  10
SER A 117
 None
 1.15A 2hdnI-3m1yA:
undetectable
2hdnJ-3m1yA:
2.7
2hdnL-3m1yA:
undetectable		 2hdnI-3m1yA:
15.13
2hdnJ-3m1yA:
21.99
2hdnL-3m1yA:
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.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 SER C 219
ASP C 218
PRO C 143
SER C  72
 None
 0.93A 2hdnI-3mg0C:
undetectable
2hdnJ-3mg0C:
undetectable
2hdnL-3mg0C:
undetectable		 2hdnI-3mg0C:
10.81
2hdnJ-3mg0C:
20.00
2hdnL-3mg0C:
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		4 THR A  33
SER A  29
SER A  28
VAL A  60
 None
 1.31A 2hdnI-3njxA:
undetectable
2hdnJ-3njxA:
undetectable
2hdnL-3njxA:
undetectable		 2hdnI-3njxA:
5.93
2hdnJ-3njxA:
21.74
2hdnL-3njxA:
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.
3r4i CITRATE LYASE

(Paraburkholderia
xenovorans) 		PF03328
(HpcH_HpaI) 		4 THR A 114
SER A 172
SER A 221
VAL A 219
 None
 0.76A 2hdnI-3r4iA:
undetectable
2hdnJ-3r4iA:
2.8
2hdnL-3r4iA:
3.4		 2hdnI-3r4iA:
8.08
2hdnJ-3r4iA:
23.24
2hdnL-3r4iA:
23.24
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.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		4 THR A  72
SER A 119
PRO A 157
SER A 118
 None
None
None
PEG  A 368 ( 4.5A)
 1.24A 2hdnI-3rf7A:
undetectable
2hdnJ-3rf7A:
undetectable
2hdnL-3rf7A:
undetectable		 2hdnI-3rf7A:
9.19
2hdnJ-3rf7A:
21.05
2hdnL-3rf7A:
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.
3sig POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Thermomonospora
curvata) 		PF10021
(DUF2263) 		4 THR A  75
ASP A 161
SER A 120
VAL A 157
 AR6  A 280 (-4.4A)
None
None
None
 1.20A 2hdnI-3sigA:
undetectable
2hdnJ-3sigA:
undetectable
2hdnL-3sigA:
undetectable		 2hdnI-3sigA:
9.52
2hdnJ-3sigA:
22.93
2hdnL-3sigA:
22.93
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 THR A 699
SER A 615
SER A 667
VAL A 665
 None
 1.07A 2hdnI-3syjA:
undetectable
2hdnJ-3syjA:
undetectable
2hdnL-3syjA:
undetectable		 2hdnI-3syjA:
3.57
2hdnJ-3syjA:
15.04
2hdnL-3syjA:
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.
3t4c 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE 1

(Burkholderia
ambifaria) 		PF00793
(DAHP_synth_1) 		4 SER A 202
ASP A 198
SER A 180
VAL A 171
 None
 1.30A 2hdnI-3t4cA:
undetectable
2hdnJ-3t4cA:
2.2
2hdnL-3t4cA:
2.1		 2hdnI-3t4cA:
10.94
2hdnJ-3t4cA:
19.65
2hdnL-3t4cA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vla EDGP

(Daucus carota) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		4 SER A 223
PRO A 233
SER A 225
VAL A 235
 None
 1.28A 2hdnI-3vlaA:
undetectable
2hdnJ-3vlaA:
undetectable
2hdnL-3vlaA:
undetectable		 2hdnI-3vlaA:
7.72
2hdnJ-3vlaA:
21.56
2hdnL-3vlaA:
21.56
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.
3zyo LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13855
(LRR_8) 		4 THR A 391
SER A 293
ASP A 320
PRO A 295
 None
 1.30A 2hdnI-3zyoA:
undetectable
2hdnJ-3zyoA:
undetectable
2hdnL-3zyoA:
undetectable		 2hdnI-3zyoA:
7.19
2hdnJ-3zyoA:
21.12
2hdnL-3zyoA:
21.12
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.
4bfe CELL SURFACE
GLYCOPROTEIN CD200
RECEPTOR 4

(Mus musculus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 SER A 188
PRO A 155
SER A 201
VAL A 186
 None
 1.06A 2hdnI-4bfeA:
undetectable
2hdnJ-4bfeA:
undetectable
2hdnL-4bfeA:
undetectable		 2hdnI-4bfeA:
12.72
2hdnJ-4bfeA:
19.94
2hdnL-4bfeA:
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.
4bob ERPP PROTEIN

(Borreliella
burgdorferi) 		PF02471
(OspE) 		4 THR A  76
SER A  79
ASP A  65
SER A 101
 None
 1.26A 2hdnI-4bobA:
undetectable
2hdnJ-4bobA:
undetectable
2hdnL-4bobA:
undetectable		 2hdnI-4bobA:
12.99
2hdnJ-4bobA:
18.45
2hdnL-4bobA:
18.45
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.
4bsk VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 3

(Homo sapiens) 		no annotation 4 ASP A 187
PRO A 163
SER A  38
VAL A  40
 None
 1.18A 2hdnI-4bskA:
undetectable
2hdnJ-4bskA:
undetectable
2hdnL-4bskA:
undetectable		 2hdnI-4bskA:
9.48
2hdnJ-4bskA:
20.12
2hdnL-4bskA:
20.12
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.
4cca SYNTAXIN-BINDING
PROTEIN 2

(Homo sapiens) 		PF00995
(Sec1) 		4 THR A 153
SER A 568
PRO A 150
SER A 567
 None
 1.24A 2hdnI-4ccaA:
undetectable
2hdnJ-4ccaA:
undetectable
2hdnL-4ccaA:
2.6		 2hdnI-4ccaA:
5.00
2hdnJ-4ccaA:
19.90
2hdnL-4ccaA:
19.90
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.
4dap SUGAR FERMENTATION
STIMULATION PROTEIN
A

(Escherichia
coli) 		PF03749
(SfsA) 		4 THR A  46
SER A  72
ASP A  49
SER A  74
 None
 1.30A 2hdnI-4dapA:
undetectable
2hdnJ-4dapA:
undetectable
2hdnL-4dapA:
2.5		 2hdnI-4dapA:
13.66
2hdnJ-4dapA:
22.69
2hdnL-4dapA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2s UREIDOGLYCINE
AMINOHYDROLASE

(Arabidopsis
thaliana) 		PF07883
(Cupin_2) 		4 SER A 190
ASP A 192
SER A 149
VAL A 188
 None
 1.29A 2hdnI-4e2sA:
undetectable
2hdnJ-4e2sA:
undetectable
2hdnL-4e2sA:
undetectable		 2hdnI-4e2sA:
10.08
2hdnJ-4e2sA:
21.10
2hdnL-4e2sA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7o COP9 SIGNALOSOME
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF01398
(JAB) 		4 THR A 173
ASP A 171
PRO A 141
VAL A  77
 None
 1.17A 2hdnI-4f7oA:
undetectable
2hdnJ-4f7oA:
undetectable
2hdnL-4f7oA:
undetectable		 2hdnI-4f7oA:
13.38
2hdnJ-4f7oA:
21.04
2hdnL-4f7oA:
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.
4i9a QUINOLINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sus scrofa) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 SER A 248
ASP A 222
SER A 268
VAL A 266
 NCN  A 301 (-2.9A)
NCN  A 301 (-3.3A)
NCN  A 301 (-3.4A)
None
 1.04A 2hdnI-4i9aA:
undetectable
2hdnJ-4i9aA:
2.4
2hdnL-4i9aA:
2.1		 2hdnI-4i9aA:
7.94
2hdnJ-4i9aA:
22.42
2hdnL-4i9aA:
22.42
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A  46
ASP A  44
PRO A 332
VAL A 363
 None
 1.11A 2hdnI-4il2A:
undetectable
2hdnJ-4il2A:
undetectable
2hdnL-4il2A:
undetectable		 2hdnI-4il2A:
7.27
2hdnJ-4il2A:
21.92
2hdnL-4il2A:
21.92
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.
4io1 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Francisella
tularensis) 		PF06026
(Rib_5-P_isom_A) 		4 SER A  59
ASP A  61
SER A  58
VAL A  32
 None
 1.22A 2hdnI-4io1A:
undetectable
2hdnJ-4io1A:
undetectable
2hdnL-4io1A:
undetectable		 2hdnI-4io1A:
10.42
2hdnJ-4io1A:
23.44
2hdnL-4io1A:
23.44
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.
4jat ALPHA-PYRONE
SYNTHESIS POLYKETIDE
SYNTHASE-LIKE PKS11

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 138
PRO A 341
SER A 312
VAL A 106
 PLM  A 400 (-2.9A)
PLM  A 400 ( 4.5A)
PLM  A 400 (-2.5A)
None
 1.17A 2hdnI-4jatA:
undetectable
2hdnJ-4jatA:
undetectable
2hdnL-4jatA:
undetectable		 2hdnI-4jatA:
7.83
2hdnJ-4jatA:
21.83
2hdnL-4jatA:
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		4 THR A 419
ASP A 393
SER A 437
VAL A 439
 None
 1.09A 2hdnI-4lm8A:
undetectable
2hdnJ-4lm8A:
undetectable
2hdnL-4lm8A:
undetectable		 2hdnI-4lm8A:
4.82
2hdnJ-4lm8A:
19.21
2hdnL-4lm8A:
19.21
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.
4lzp PUTATIVE
UNCHARACTERIZED
PROTEIN

(Brucella
melitensis) 		no annotation 4 THR B 222
SER B 250
SER B 248
VAL B 244
 None
 1.32A 2hdnI-4lzpB:
undetectable
2hdnJ-4lzpB:
undetectable
2hdnL-4lzpB:
2.8		 2hdnI-4lzpB:
14.78
2hdnJ-4lzpB:
17.70
2hdnL-4lzpB:
17.70
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.
4oah MITOCHONDRIAL
DYNAMIC PROTEIN
MID51

(Mus musculus) 		PF03281
(Mab-21) 		4 THR A 346
SER A 189
ASP A 192
VAL A 196
 None
SO4  A 501 (-2.5A)
None
None
 1.25A 2hdnI-4oahA:
undetectable
2hdnJ-4oahA:
undetectable
2hdnL-4oahA:
undetectable		 2hdnI-4oahA:
8.42
2hdnJ-4oahA:
23.20
2hdnL-4oahA:
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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		4 THR X 299
SER X 257
SER X  33
VAL X  31
 None
 1.01A 2hdnI-4pkaX:
undetectable
2hdnJ-4pkaX:
undetectable
2hdnL-4pkaX:
undetectable		 2hdnI-4pkaX:
8.52
2hdnJ-4pkaX:
22.72
2hdnL-4pkaX:
22.72
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		4 THR A 132
SER A 187
ASP A 136
SER A 215
 None
 1.03A 2hdnI-4pz2A:
undetectable
2hdnJ-4pz2A:
undetectable
2hdnL-4pz2A:
undetectable		 2hdnI-4pz2A:
5.72
2hdnJ-4pz2A:
23.28
2hdnL-4pz2A:
23.28
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 ASP A 731
PRO A 690
SER A 736
VAL A 693
 None
 1.26A 2hdnI-4r04A:
undetectable
2hdnJ-4r04A:
2.2
2hdnL-4r04A:
2.1		 2hdnI-4r04A:
2.67
2hdnJ-4r04A:
10.53
2hdnL-4r04A:
10.53
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.
4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF16819
(DUF5074)
PF16820
(PKD_3) 		4 SER A 114
ASP A  97
SER A  48
VAL A  50
 7PE  A 502 ( 3.7A)
7PE  A 502 (-3.5A)
7PE  A 502 ( 4.5A)
None
 0.98A 2hdnI-4r5oA:
undetectable
2hdnJ-4r5oA:
undetectable
2hdnL-4r5oA:
undetectable		 2hdnI-4r5oA:
8.04
2hdnJ-4r5oA:
22.39
2hdnL-4r5oA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		4 THR A 159
PRO A  88
SER A  95
VAL A  98
 None
 1.05A 2hdnI-4rxmA:
undetectable
2hdnJ-4rxmA:
3.0
2hdnL-4rxmA:
2.5		 2hdnI-4rxmA:
8.75
2hdnJ-4rxmA:
22.16
2hdnL-4rxmA:
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 4 THR A  53
SER A  22
ASP A  56
VAL A  32
 None
 1.27A 2hdnI-4ubqA:
undetectable
2hdnJ-4ubqA:
undetectable
2hdnL-4ubqA:
undetectable		 2hdnI-4ubqA:
13.07
2hdnJ-4ubqA:
20.31
2hdnL-4ubqA:
20.31
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.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 4 SER A  21
ASP A  55
SER A  33
VAL A  31
 None
 1.19A 2hdnI-4zejA:
undetectable
2hdnJ-4zejA:
undetectable
2hdnL-4zejA:
undetectable		 2hdnI-4zejA:
11.21
2hdnJ-4zejA:
19.88
2hdnL-4zejA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 THR A  26
SER A  66
ASP A  81
PRO A  83
 MG  A 502 ( 3.1A)
None
MG  A 502 (-3.7A)
MG  A 502 ( 4.1A)
 0.55A 2hdnI-4zv4A:
undetectable
2hdnJ-4zv4A:
41.8
2hdnL-4zv4A:
41.7		 2hdnI-4zv4A:
64.44
2hdnJ-4zv4A:
84.41
2hdnL-4zv4A:
84.41
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.
5ax7 PYRUVYL TRANSFERASE
1

(Schizosaccharomyces
pombe) 		PF04230
(PS_pyruv_trans) 		4 SER A 311
ASP A 313
SER A 310
VAL A 304
 None
 1.30A 2hdnI-5ax7A:
undetectable
2hdnJ-5ax7A:
2.6
2hdnL-5ax7A:
2.7		 2hdnI-5ax7A:
9.35
2hdnJ-5ax7A:
20.97
2hdnL-5ax7A:
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.
5c08 1E6 TCR ALPHA CHAIN
1E6 TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		4 THR D 156
ASP E 175
PRO E 178
VAL E 157
 None
 1.30A 2hdnI-5c08D:
undetectable
2hdnJ-5c08D:
undetectable
2hdnL-5c08D:
undetectable		 2hdnI-5c08D:
10.27
2hdnJ-5c08D:
17.78
2hdnL-5c08D:
17.78
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.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 4 SER B 501
ASP B 495
PRO B 499
SER B 514
 None
 1.15A 2hdnI-5cwwB:
undetectable
2hdnJ-5cwwB:
undetectable
2hdnL-5cwwB:
undetectable		 2hdnI-5cwwB:
4.77
2hdnJ-5cwwB:
20.35
2hdnL-5cwwB:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 730
SER A 618
ASP A 617
SER A 713
 None
 1.26A 2hdnI-5favA:
undetectable
2hdnJ-5favA:
2.3
2hdnL-5favA:
undetectable		 2hdnI-5favA:
4.28
2hdnJ-5favA:
19.38
2hdnL-5favA:
19.38
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		4 THR A 424
ASP A 428
PRO A 430
SER A 436
 None
BR  A1642 (-4.0A)
None
None
 1.21A 2hdnI-5fqeA:
undetectable
2hdnJ-5fqeA:
2.2
2hdnL-5fqeA:
2.4		 2hdnI-5fqeA:
4.61
2hdnJ-5fqeA:
18.20
2hdnL-5fqeA:
18.20
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA

(Escherichia
coli) 		PF09481
(CRISPR_Cse1) 		4 SER A 306
PRO A 305
SER A 311
VAL A 315
 None
 1.21A 2hdnI-5h9fA:
undetectable
2hdnJ-5h9fA:
undetectable
2hdnL-5h9fA:
undetectable		 2hdnI-5h9fA:
7.87
2hdnJ-5h9fA:
20.15
2hdnL-5h9fA:
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.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		4 ASP A 197
PRO A 181
SER A 156
VAL A 154
 None
 1.20A 2hdnI-5iz1A:
undetectable
2hdnJ-5iz1A:
undetectable
2hdnL-5iz1A:
undetectable		 2hdnI-5iz1A:
7.21
2hdnJ-5iz1A:
21.90
2hdnL-5iz1A:
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.
5jgy ALDOSE REDUCTASE,
AKR4C13

(Zea mays) 		PF00248
(Aldo_ket_red) 		4 THR A  85
ASP A  54
SER A 254
VAL A 210
 None
6KB  A 401 (-3.7A)
None
None
 1.30A 2hdnI-5jgyA:
undetectable
2hdnJ-5jgyA:
2.2
2hdnL-5jgyA:
2.4		 2hdnI-5jgyA:
9.96
2hdnJ-5jgyA:
21.57
2hdnL-5jgyA:
21.57
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.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		4 THR A 176
SER A 239
ASP A 238
SER A 242
 None
 1.22A 2hdnI-5l8vA:
undetectable
2hdnJ-5l8vA:
undetectable
2hdnL-5l8vA:
undetectable		 2hdnI-5l8vA:
11.44
2hdnJ-5l8vA:
23.38
2hdnL-5l8vA:
23.38
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 THR A  54
SER A 779
SER A 775
VAL A 773
 None
 1.01A 2hdnI-5m2nA:
undetectable
2hdnJ-5m2nA:
undetectable
2hdnL-5m2nA:
undetectable		 2hdnI-5m2nA:
4.78
2hdnJ-5m2nA:
18.83
2hdnL-5m2nA:
18.83
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 4 THR C 183
SER C 368
ASP C 369
VAL C 372
 None
 1.21A 2hdnI-5mg5C:
undetectable
2hdnJ-5mg5C:
undetectable
2hdnL-5mg5C:
undetectable		 2hdnI-5mg5C:
22.39
2hdnJ-5mg5C:
14.63
2hdnL-5mg5C:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		4 SER E  57
ASP E  91
SER E  69
VAL E  67
 None
 1.25A 2hdnI-5mmdE:
undetectable
2hdnJ-5mmdE:
undetectable
2hdnL-5mmdE:
undetectable		 2hdnI-5mmdE:
10.04
2hdnJ-5mmdE:
22.49
2hdnL-5mmdE:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o8o MITOCHONDRIAL IMPORT
RECEPTOR SUBUNIT
TOM40

(Neurospora
crassa) 		PF01459
(Porin_3) 		4 SER A 234
ASP A 248
SER A 222
VAL A 220
 None
 0.78A 2hdnI-5o8oA:
undetectable
2hdnJ-5o8oA:
undetectable
2hdnL-5o8oA:
undetectable		 2hdnI-5o8oA:
10.64
2hdnJ-5o8oA:
21.39
2hdnL-5o8oA:
21.39
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.
5ubz ANTI-HIV1 GP120 MAB
1E12 FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 4 THR H  73
SER H  52
ASP H  52
SER H  52
 None
 1.14A 2hdnI-5ubzH:
undetectable
2hdnJ-5ubzH:
undetectable
2hdnL-5ubzH:
undetectable		 2hdnI-5ubzH:
22.22
2hdnJ-5ubzH:
13.65
2hdnL-5ubzH:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		4 SER A  50
ASP A  68
SER A  47
VAL A  45
 None
 1.16A 2hdnI-5x7sA:
undetectable
2hdnJ-5x7sA:
undetectable
2hdnL-5x7sA:
undetectable		 2hdnI-5x7sA:
3.65
2hdnJ-5x7sA:
13.64
2hdnL-5x7sA:
13.64
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 THR A 453
SER A 113
PRO A 236
VAL A  71
 None
 1.13A 2hdnI-5xfaA:
undetectable
2hdnJ-5xfaA:
2.4
2hdnL-5xfaA:
undetectable		 2hdnI-5xfaA:
5.48
2hdnJ-5xfaA:
20.27
2hdnL-5xfaA:
20.27
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.
5zvt CORE PROTEIN VP6

(Aquareovirus C) 		no annotation 4 THR U  38
ASP U 141
SER U 289
VAL U 293
 None
 1.28A 2hdnI-5zvtU:
undetectable
2hdnJ-5zvtU:
undetectable
2hdnL-5zvtU:
undetectable		 2hdnI-5zvtU:
17.11
2hdnJ-5zvtU:
14.02
2hdnL-5zvtU:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6am0 KLLA0A01474P
KLLA0F23980P

(Kluyveromyces
lactis) 		no annotation 4 THR C 363
ASP A  33
PRO A  31
SER A  35
 None
 1.06A 2hdnI-6am0C:
undetectable
2hdnJ-6am0C:
undetectable
2hdnL-6am0C:
undetectable		 2hdnI-6am0C:
25.00
2hdnJ-6am0C:
8.23
2hdnL-6am0C:
8.23
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.
6c4r STAPHYLOPINE
DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 4 THR A  92
ASP A  94
SER A 123
VAL A 127
 None
 1.28A 2hdnI-6c4rA:
undetectable
2hdnJ-6c4rA:
3.1
2hdnL-6c4rA:
2.8		 2hdnI-6c4rA:
15.00
2hdnJ-6c4rA:
13.61
2hdnL-6c4rA:
13.61
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 SER A  54
ASP A  50
SER A  55
VAL A 102
 None
NH4  A 505 (-2.8A)
None
None
 1.21A 2hdnI-6eu6A:
undetectable
2hdnJ-6eu6A:
undetectable
2hdnL-6eu6A:
undetectable		 2hdnI-6eu6A:
15.79
2hdnJ-6eu6A:
12.46
2hdnL-6eu6A:
12.46