SIMILAR PATTERNS OF AMINO ACIDS FOR 2H42_A_VIAA901_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.
1bu8 PROTEIN (PANCREATIC
LIPASE RELATED
PROTEIN 2)

(Rattus
norvegicus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 HIS A   7
ALA A 129
ILE A 128
ILE A  59
PHE A  38
 None
 1.22A 2h42A-1bu8A:
0.0		 2h42A-1bu8A:
20.43
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 HIS A 489
ASN A 487
ILE A 422
LEU A 305
ILE A 189
 GOL  A 605 (-4.0A)
None
None
None
None
 1.23A 2h42A-1e1tA:
0.0		 2h42A-1e1tA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		5 ALA A 303
ILE A 108
VAL A  97
LEU A  76
ILE A  79
 None
 1.23A 2h42A-1hsjA:
0.0		 2h42A-1hsjA:
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 ALA A  87
ILE A  86
VAL A  39
PHE A  43
LEU A  28
 None
 1.21A 2h42A-1jg3A:
0.0		 2h42A-1jg3A:
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.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 ILE A   4
VAL A 251
PHE A 221
LEU A 217
ILE A  18
 None
 1.22A 2h42A-1li7A:
0.0		 2h42A-1li7A:
20.52
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.
1nf1 PROTEIN
(NEUROFIBROMIN)

(Homo sapiens) 		PF00616
(RasGAP) 		5 ALA A1429
ILE A1428
LEU A1300
ILE A1397
PHE A1347
 None
 1.06A 2h42A-1nf1A:
0.2		 2h42A-1nf1A:
24.07
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.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51

(Pyrococcus
furiosus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ASN A 165
ALA A 278
ILE A 277
VAL A 155
ILE A 200
 None
 0.98A 2h42A-1pznA:
undetectable		 2h42A-1pznA:
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.
1qmo MANNOSE BINDING
LECTIN, FRIL

(Lablab
purpureus) 		PF00139
(Lectin_legB) 		5 ALA E 180
ILE A  72
VAL E 137
LEU A 108
ILE A  92
 None
 1.13A 2h42A-1qmoE:
undetectable		 2h42A-1qmoE:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 736
HIS A 737
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.37A 2h42A-1sojA:
34.3		 2h42A-1sojA:
24.24
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.
1vdw HYPOTHETICAL PROTEIN
PH1897

(Pyrococcus
horikoshii) 		PF00459
(Inositol_P) 		5 ALA A  50
ILE A  53
VAL A 101
PHE A 115
ILE A  14
 None
 1.11A 2h42A-1vdwA:
undetectable		 2h42A-1vdwA:
20.94
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.
1vzo RIBOSOMAL PROTEIN S6
KINASE ALPHA 5

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 286
ILE A 290
VAL A 154
LEU A 139
ILE A 161
 None
 1.18A 2h42A-1vzoA:
undetectable		 2h42A-1vzoA:
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.
1w93 ACETYL-COENZYME A
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A 273
ILE A 272
VAL A 265
PHE A 247
ILE A 289
 None
 1.01A 2h42A-1w93A:
undetectable		 2h42A-1w93A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wck BCLA PROTEIN

(Bacillus
anthracis) 		PF01391
(Collagen) 		5 ALA A 140
ILE A 139
PHE A 126
LEU A  87
ILE A 136
 None
 1.11A 2h42A-1wckA:
undetectable		 2h42A-1wckA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wz9 MASPIN PRECURSOR

(Homo sapiens) 		PF00079
(Serpin) 		5 ALA A  51
ILE A  54
PHE A 104
LEU A 116
ILE A 159
 None
 1.12A 2h42A-1wz9A:
undetectable		 2h42A-1wz9A:
20.73
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.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 211
HIS A 212
VAL A 380
PHE A 384
ILE A 409
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
None
IBM  A 503 (-4.7A)
IBM  A 503 (-4.5A)
None
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.66A 2h42A-1zklA:
34.9		 2h42A-1zklA:
28.65
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.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 211
HIS A 212
VAL A 380
PHE A 384
LEU A 401
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
None
IBM  A 503 (-4.7A)
IBM  A 503 (-4.5A)
None
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.81A 2h42A-1zklA:
34.9		 2h42A-1zklA:
28.65
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.
2e9q 11S GLOBULIN SUBUNIT
BETA

(Cucurbita
maxima) 		PF00190
(Cupin_1) 		5 ALA A  45
ILE A  70
VAL A 245
PHE A 249
LEU A 252
 None
 1.26A 2h42A-2e9qA:
undetectable		 2h42A-2e9qA:
22.02
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.
2h63 BILIVERDIN REDUCTASE
A

(Homo sapiens) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		5 TYR A  98
ILE A 250
LEU A  95
ILE A 257
PHE A 251
 NAP  A 501 (-3.6A)
None
None
None
None
 1.22A 2h42A-2h63A:
undetectable		 2h42A-2h63A:
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 TYR A 622
ALA A 766
ILE A 767
VAL A 620
LEU A 650
 None
 1.27A 2h42A-2np0A:
undetectable		 2h42A-2np0A:
13.62
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.
2ocd L-ASPARAGINASE I

(Vibrio cholerae) 		PF00710
(Asparaginase) 		5 VAL A 205
PHE A 105
LEU A 101
ILE A 208
GLN A  69
 None
 1.22A 2h42A-2ocdA:
undetectable		 2h42A-2ocdA:
19.62
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 371
HIS A 372
PHE A 552
GLN A 581
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
 0.44A 2h42A-2qykA:
36.1		 2h42A-2qykA:
29.85
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.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A 141
ILE A 139
VAL A  57
PHE A  64
LEU A  26
 None
 1.25A 2h42A-2qytA:
undetectable		 2h42A-2qytA:
21.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		6 TYR A 680
HIS A 681
VAL A 853
PHE A 857
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
IBM  A   3 ( 4.8A)
IBM  A   3 (-4.9A)
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 0.59A 2h42A-2r8qA:
38.4		 2h42A-2r8qA:
31.09
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.
2vzk GLUTAMATE
N-ACETYLTRANSFERASE
2 BETA CHAIN

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 ASN B 302
ILE B 364
VAL B 292
LEU B 355
ILE B 266
 None
 1.15A 2h42A-2vzkB:
undetectable		 2h42A-2vzkB:
22.48
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.
2wry INTERLEUKIN-1BETA

(Gallus gallus) 		PF00340
(IL1) 		5 TYR A  77
ALA A  49
ILE A  48
LEU A  30
ILE A 133
 None
 0.91A 2h42A-2wryA:
undetectable		 2h42A-2wryA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xhl BOTULINUM NEUROTOXIN
B HEAVY CHAIN

(Clostridium
botulinum) 		PF07952
(Toxin_trans) 		5 TYR B 638
ALA B 782
ILE B 783
VAL B 636
LEU B 666
 None
 1.19A 2h42A-2xhlB:
undetectable		 2h42A-2xhlB:
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.
2yzr PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Methanocaldococcus
jannaschii) 		PF01680
(SOR_SNZ)
PF05690
(ThiG) 		5 ASN A  26
ALA A  38
ILE A  75
VAL A  24
LEU A  65
 None
 1.17A 2h42A-2yzrA:
undetectable		 2h42A-2yzrA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zuy YESX PROTEIN

(Bacillus
subtilis) 		PF01839
(FG-GAP) 		5 ASN A 576
ALA A 196
ILE A 126
PHE A 185
ILE A 170
 None
 1.03A 2h42A-2zuyA:
undetectable		 2h42A-2zuyA:
19.35
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.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		5 HIS A  58
ALA A 169
ILE A 176
LEU A 105
ILE A 242
 ZN  A 262 (-3.4A)
None
None
None
None
 1.25A 2h42A-3adrA:
undetectable		 2h42A-3adrA:
21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		9 TYR A 612
HIS A 613
ALA A 767
ILE A 768
VAL A 782
PHE A 786
ILE A 813
GLN A 817
PHE A 820
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
VDN  A   1 ( 3.8A)
VDN  A   1 (-4.5A)
VDN  A   1 ( 4.7A)
None
VDN  A   1 ( 4.2A)
VDN  A   1 (-3.0A)
VDN  A   1 (-3.6A)
 0.47A 2h42A-3b2rA:
46.2		 2h42A-3b2rA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		9 TYR A 612
HIS A 613
ALA A 767
ILE A 768
VAL A 782
PHE A 786
ILE A 813
GLN A 817
PHE A 820
 None
MG  A 877 (-4.4A)
WAN  A 901 ( 3.9A)
WAN  A 901 ( 4.9A)
WAN  A 901 ( 4.9A)
WAN  A 901 (-4.8A)
WAN  A 901 ( 4.3A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
 0.35A 2h42A-3bjcA:
48.4		 2h42A-3bjcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3csg MALTOSE-BINDING
PROTEIN MONOBODY YS1
FUSION

(Escherichia
coli) 		PF00041
(fn3)
PF13416
(SBP_bac_8) 		5 ALA A 303
ILE A 108
VAL A  97
LEU A  76
ILE A  79
 None
 1.25A 2h42A-3csgA:
undetectable		 2h42A-3csgA:
19.57
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.
3dwf 11-BETA-HYDROXYSTERO
ID DEHYDROGENASE 1

(Cavia porcellus) 		PF00106
(adh_short) 		5 TYR A 123
ASN A 143
ILE A  46
LEU A 190
ILE A 214
 NAP  A 301 (-4.8A)
None
NAP  A 301 (-3.8A)
None
None
 1.15A 2h42A-3dwfA:
undetectable		 2h42A-3dwfA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 ILE A 388
VAL A  91
PHE A  22
ILE A  87
PHE A  47
 None
 1.10A 2h42A-3e1kA:
undetectable		 2h42A-3e1kA:
20.72
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.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 TYR A 120
VAL A  91
PHE A  22
ILE A  87
PHE A  47
 None
 1.22A 2h42A-3e1kA:
undetectable		 2h42A-3e1kA:
20.72
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.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 555
HIS A 556
ILE A 774
GLN A 778
PHE A 781
 None
None
None
IBM  A   3 (-3.4A)
IBM  A   3 (-3.5A)
 0.37A 2h42A-3ecnA:
35.0		 2h42A-3ecnA:
25.56
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.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		5 ALA A 303
ILE A 108
VAL A  97
LEU A  76
ILE A  79
 None
 1.27A 2h42A-3f5fA:
undetectable		 2h42A-3f5fA:
19.00
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 325
HIS A 326
PHE A 506
GLN A 535
PHE A 538
 None
D71  A 901 (-4.5A)
D71  A 901 (-4.8A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.56A 2h42A-3g4gA:
35.8		 2h42A-3g4gA:
26.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gaa UNCHARACTERIZED
PROTEIN TA1441

(Thermoplasma
acidophilum) 		PF09754
(PAC2) 		5 ALA A 154
ILE A 156
LEU A  30
ILE A 203
PHE A 185
 None
 1.23A 2h42A-3gaaA:
undetectable		 2h42A-3gaaA:
21.53
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.
3gy9 GCN5-RELATED
N-ACETYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13673
(Acetyltransf_10) 		5 ALA A  53
ILE A   5
PHE A 121
LEU A 125
ILE A  78
 None
None
COA  A 201 (-3.8A)
None
None
 1.12A 2h42A-3gy9A:
undetectable		 2h42A-3gy9A:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A 645
ILE A 676
VAL A 683
ILE A 704
PHE A 735
 None
 1.24A 2h42A-3ho8A:
undetectable		 2h42A-3ho8A:
13.51
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		5 TYR A 655
HIS A 656
ILE A 855
GLN A 859
PHE A 862
 None
 0.61A 2h42A-3ibjA:
38.3		 2h42A-3ibjA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		5 ALA D 271
ILE D 274
VAL D 168
LEU D 348
ILE D 166
 None
 1.14A 2h42A-3k70D:
undetectable		 2h42A-3k70D:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kgw ALANINE-GLYOXYLATE
AMINOTRANSFERASE

(Mus musculus) 		PF00266
(Aminotran_5) 		5 ALA A 107
ILE A 242
LEU A 201
ILE A 222
PHE A 244
 None
 1.13A 2h42A-3kgwA:
undetectable		 2h42A-3kgwA:
21.84
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		5 ASN A 158
ALA A 104
ILE A  83
PHE A 163
ILE A 165
 None
 1.25A 2h42A-3ktcA:
undetectable		 2h42A-3ktcA:
20.67
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.
3kws PUTATIVE SUGAR
ISOMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		5 ALA A  60
ILE A  59
VAL A  77
LEU A  51
PHE A 286
 None
 1.04A 2h42A-3kwsA:
undetectable		 2h42A-3kwsA:
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.
3mp6 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,LINKER,SAGA-
ASSOCIATED FACTOR 29

(Escherichia
coli;
Saccharomyces
cerevisiae;
unidentified) 		PF07039
(DUF1325)
PF13416
(SBP_bac_8) 		5 ALA A1041
ILE A 846
VAL A 835
LEU A 814
ILE A 817
 None
 1.26A 2h42A-3mp6A:
undetectable		 2h42A-3mp6A:
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.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 HIS A 307
ALA A 269
VAL A 364
ILE A 224
PHE A 386
 None
 1.18A 2h42A-3msuA:
undetectable		 2h42A-3msuA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n93 MALTOSE BINDING
PROTEIN-CRFR2 ALPHA

(Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		5 ALA A -67
ILE A-262
VAL A-273
LEU A-294
ILE A-291
 None
 1.26A 2h42A-3n93A:
undetectable		 2h42A-3n93A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n94 FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PITUITARY
ADENYLATE CYCLASE 1
RECEPTOR-SHORT

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		5 ALA A -45
ILE A-240
VAL A-251
LEU A-272
ILE A-269
 None
 1.25A 2h42A-3n94A:
undetectable		 2h42A-3n94A:
20.41
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 233
HIS A 234
PHE A 414
GLN A 443
PHE A 446
 None
None
ZG2  A 506 (-4.4A)
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.59A 2h42A-3o57A:
36.0		 2h42A-3o57A:
27.53
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.
3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2

(Arachis
duranensis;
Escherichia
coli) 		PF00234
(Tryp_alpha_amyl)
PF13416
(SBP_bac_8) 		5 ALA A 303
ILE A 108
VAL A  97
LEU A  76
ILE A  79
 None
 1.28A 2h42A-3ob4A:
undetectable		 2h42A-3ob4A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3osq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		5 ALA A 551
ILE A 108
VAL A  97
LEU A  76
ILE A  79
 None
 1.27A 2h42A-3osqA:
undetectable		 2h42A-3osqA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		5 ALA A 303
ILE A 108
VAL A  97
LEU A  76
ILE A  79
 None
 1.25A 2h42A-3osrA:
undetectable		 2h42A-3osrA:
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.
3qm3 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Campylobacter
jejuni) 		PF01116
(F_bP_aldolase) 		5 HIS A 221
ASN A 219
ILE A 168
LEU A 236
ILE A 279
 ZN  A 355 (-3.2A)
None
None
None
None
 1.25A 2h42A-3qm3A:
undetectable		 2h42A-3qm3A:
22.31
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.
3rri GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Alicyclobacillus
acidocaldarius) 		PF00903
(Glyoxalase) 		5 ALA A  85
ILE A  90
PHE A  44
LEU A  49
PHE A  23
 None
 1.12A 2h42A-3rriA:
undetectable		 2h42A-3rriA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 159
HIS A 160
PHE A 340
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
PHE  A 340 (-1.3A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.50A 2h42A-3sl5A:
36.2		 2h42A-3sl5A:
29.28
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.
3tyj BCLA PROTEIN

(Bacillus
anthracis) 		no annotation 5 ALA A 140
ILE A 139
PHE A 126
LEU A  87
ILE A 136
 None
 1.12A 2h42A-3tyjA:
undetectable		 2h42A-3tyjA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 524
HIS A 525
PHE A 696
GLN A 726
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
C1L  A   1 ( 4.7A)
C1L  A   1 (-2.9A)
C1L  A   1 (-3.5A)
 0.47A 2h42A-3ui7A:
40.9		 2h42A-3ui7A:
39.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 220
ILE A 221
VAL A 164
LEU A 272
ILE A 288
 None
 1.21A 2h42A-3uj2A:
undetectable		 2h42A-3uj2A:
22.05
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.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		5 HIS A 231
ALA A 222
ILE A 217
ILE A 302
PHE A 260
 None
 1.03A 2h42A-3uwdA:
undetectable		 2h42A-3uwdA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		6 TYR A 367
HIS A 368
ALA A 524
PHE A 542
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
None
None
WYQ  A 701 (-4.7A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.78A 2h42A-3v94A:
34.4		 2h42A-3v94A:
27.35
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.
3vsc PROTEIN CYSO

(Aeropyrum
pernix) 		PF00291
(PALP) 		5 TYR A  21
ALA A  25
ILE A  53
LEU A  10
ILE A  58
 None
 1.25A 2h42A-3vscA:
undetectable		 2h42A-3vscA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zok 3-DEHYDROQUINATE
SYNTHASE

(Actinidia
chinensis) 		PF01761
(DHQ_synthase) 		5 ALA A 283
VAL A 200
PHE A 211
LEU A 353
ILE A 205
 None
 0.93A 2h42A-3zokA:
undetectable		 2h42A-3zokA:
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 TYR A 658
ALA A 802
ILE A 803
VAL A 656
LEU A 686
 None
 1.26A 2h42A-3zuqA:
undetectable		 2h42A-3zuqA:
16.43
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.
4b3n MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Escherichia
coli;
Macaca mulatta) 		PF00622
(SPRY)
PF01547
(SBP_bac_1) 		5 ALA A 303
ILE A 108
VAL A  97
LEU A  76
ILE A  79
 None
 1.24A 2h42A-4b3nA:
undetectable		 2h42A-4b3nA:
18.14
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.
4c0t LIKELY PROTEIN
KINASE

(Candida
albicans) 		PF00069
(Pkinase) 		5 TYR A 354
ILE A 380
LEU A 388
ILE A 361
PHE A 383
 None
 1.28A 2h42A-4c0tA:
undetectable		 2h42A-4c0tA:
15.91
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.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		5 HIS A 306
ALA A 268
VAL A 362
ILE A 223
PHE A 384
 None
 1.24A 2h42A-4e6yA:
undetectable		 2h42A-4e6yA:
21.30
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ALA A 377
ILE A 380
VAL A 178
LEU A 231
ILE A 189
 None
 1.22A 2h42A-4ga6A:
undetectable		 2h42A-4ga6A:
21.81
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.
4giz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UBIQUITIN LIGASE
EA6P: CHIMERIC
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01547
(SBP_bac_1) 		5 ALA A 304
ILE A 109
VAL A  98
LEU A  77
ILE A  80
 None
 1.23A 2h42A-4gizA:
undetectable		 2h42A-4gizA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 655
HIS A 656
PHE A 830
ILE A 855
GLN A 859
PHE A 862
 None
 0.45A 2h42A-4htzA:
40.3		 2h42A-4htzA:
35.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		6 TYR A 668
HIS A 669
VAL A 840
PHE A 844
GLN A 874
PHE A 877
 None
 0.77A 2h42A-4i15A:
37.3		 2h42A-4i15A:
31.59
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.
4ikm MALTOSE-BINDING
PERIPLASMIC PROTEIN,
CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 8

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 ALA A 304
ILE A 109
VAL A  98
LEU A  77
ILE A  80
 None
 1.23A 2h42A-4ikmA:
undetectable		 2h42A-4ikmA:
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.
4keg MALTOSE-BINDING
PERIPLASMIC/PALATE
LUNG AND NASAL
EPITHELIUM CLONE
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01273
(LBP_BPI_CETP)
PF13416
(SBP_bac_8) 		5 ALA A 303
ILE A 108
VAL A  97
LEU A  76
ILE A  79
 None
 1.21A 2h42A-4kegA:
undetectable		 2h42A-4kegA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 ALA A 305
ILE A 110
VAL A  99
LEU A  78
ILE A  81
 None
 1.13A 2h42A-4logA:
undetectable		 2h42A-4logA:
20.63
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.
4my2 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NORRIN FUSION
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF00007
(Cys_knot)
PF13416
(SBP_bac_8) 		5 ALA A 305
ILE A 110
VAL A  99
LEU A  78
ILE A  81
 None
 1.23A 2h42A-4my2A:
undetectable		 2h42A-4my2A:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ozq CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND KINESIN FAMILY
MEMBER 14 PROTEIN

(Escherichia
coli;
Mus musculus) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		5 ALA A -67
ILE A-262
VAL A-273
LEU A-294
ILE A-291
 None
 1.22A 2h42A-4ozqA:
undetectable		 2h42A-4ozqA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 405
HIS A 406
PHE A 586
GLN A 615
PHE A 618
 None
MG  A 804 ( 4.9A)
None
None
None
 0.32A 2h42A-4wziA:
36.1		 2h42A-4wziA:
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.
4xai MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TAILLESS
ORTHOLOG

(Escherichia
coli;
Tribolium
castaneum) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 ALA A 305
ILE A 110
VAL A  99
LEU A  78
ILE A  81
 None
 1.24A 2h42A-4xaiA:
undetectable		 2h42A-4xaiA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 644
ILE A 632
VAL A 708
PHE A 709
LEU A 312
 None
 1.27A 2h42A-4zlgA:
undetectable		 2h42A-4zlgA:
17.79
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.
5a1k ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		5 ASN A 270
ALA A 241
PHE A 343
LEU A 285
GLN A 292
 None
 1.14A 2h42A-5a1kA:
undetectable		 2h42A-5a1kA:
23.35
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.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 222
HIS A 223
PHE A 392
GLN A 421
PHE A 424
 None
4QJ  A 603 ( 4.9A)
GOL  A 607 (-3.9A)
4QJ  A 603 (-3.0A)
4QJ  A 603 (-3.5A)
 0.63A 2h42A-5b25A:
34.6		 2h42A-5b25A:
28.53
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 ALA A 273
ILE A 272
VAL A 265
PHE A 247
ILE A 289
 None
 1.14A 2h42A-5cslA:
undetectable		 2h42A-5cslA:
9.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00144
(Beta-lactamase) 		5 ALA B 220
ILE B 154
PHE B 134
LEU B 100
ILE B 160
 None
 1.24A 2h42A-5eviB:
undetectable		 2h42A-5eviB:
23.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 6 TYR A 668
HIS A 669
VAL A 841
PHE A 845
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.6A)
LLN  A1003 (-4.6A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 0.61A 2h42A-5h2rA:
37.9		 2h42A-5h2rA:
32.49
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.
5h7n NLRP12-PYD WITH MBP
TAG

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 ALA A 304
ILE A 109
VAL A  98
LEU A  77
ILE A  80
 None
 1.26A 2h42A-5h7nA:
undetectable		 2h42A-5h7nA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 ASN B1397
ALA B1335
ILE B1350
PHE B1395
PHE B1357
 FMN  B1801 (-4.2A)
None
None
None
None
 1.16A 2h42A-5hzkB:
undetectable		 2h42A-5hzkB:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8) 		5 ALA A 670
ILE A 475
VAL A 464
LEU A 443
ILE A 446
 None
 1.26A 2h42A-5hzvA:
undetectable		 2h42A-5hzvA:
20.10
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.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae) 		PF00154
(RecA) 		5 ALA A 259
ILE A  60
VAL A 253
LEU A  82
ILE A  69
 None
 1.23A 2h42A-5jrjA:
undetectable		 2h42A-5jrjA:
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.
5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		5 ALA A1303
ILE A 108
VAL A  97
LEU A  76
ILE A  79
 None
 1.21A 2h42A-5k94A:
undetectable		 2h42A-5k94A:
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.
5lnt PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.1

(Arabidopsis
thaliana) 		PF01680
(SOR_SNZ) 		5 ALA A  54
ILE A  50
LEU A  62
ILE A  87
PHE A 256
 None
 1.26A 2h42A-5lntA:
undetectable		 2h42A-5lntA:
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.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		5 ALA A 280
ILE A 284
VAL A 236
PHE A 203
ILE A 233
 None
 1.07A 2h42A-5m49A:
undetectable		 2h42A-5m49A:
23.00
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.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		5 ASN A 114
ILE A 284
VAL A 236
PHE A 203
ILE A 233
 PLP  A 501 ( 4.8A)
None
None
None
None
 1.06A 2h42A-5m49A:
undetectable		 2h42A-5m49A:
23.00
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 TYR A 405
HIS A 406
PHE A 586
GLN A 615
PHE A 618
 None
None
9VE  A 801 (-3.6A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.37A 2h42A-5ohjA:
36.2		 2h42A-5ohjA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00397
(WW)
PF00632
(HECT) 		5 ILE A 755
VAL A 783
PHE A 779
LEU A 842
ILE A 861
 None
 1.19A 2h42A-5tj7A:
undetectable		 2h42A-5tj7A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v6y MALTOSE-BINDING
PERIPLASMIC
PROTEIN,RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 1,CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ALA A 305
ILE A 110
VAL A  99
LEU A  78
ILE A  81
 None
 1.25A 2h42A-5v6yA:
undetectable		 2h42A-5v6yA:
13.89
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 5 TYR A 159
HIS A 160
PHE A 340
GLN A 369
PHE A 372
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 (-4.5A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.37A 2h42A-5wh6A:
36.3		 2h42A-5wh6A:
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 ALA A  31
ILE A  32
VAL A  65
PHE A  67
PHE A  57
 None
 1.06A 2h42A-5ysqA:
undetectable		 2h42A-5ysqA:
13.25
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.
6cu5 PROTEIN ARGININE
N-METHYLTRANSFERASE

(Naegleria
fowleri) 		no annotation 5 ALA A  64
ILE A  35
VAL A  47
LEU A 143
PHE A 150
 None
 1.26A 2h42A-6cu5A:
undetectable		 2h42A-6cu5A:
12.89
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.
6d7t TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Homo sapiens) 		no annotation 5 ASN A 464
ILE A 420
ILE A 480
GLN A 483
PHE A 487
 None
 1.23A 2h42A-6d7tA:
undetectable		 2h42A-6d7tA:
undetectable