SIMILAR PATTERNS OF AMINO ACIDS FOR 2H42_B_VIAB902_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.
13pk 3-PHOSPHOGLYCERATE
KINASE


(Trypanosoma
brucei)
PF00162
(PGK)
5 HIS A  62
ALA A 175
ILE A 180
VAL A 134
LEU A 130
3PG  A 423 (-4.1A)
None
None
None
None
1.11A 2h42B-13pkA:
undetectable
2h42B-13pkA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
5 HIS A 323
ALA A 372
ILE A 375
VAL A 326
ILE A 289
None
1.15A 2h42B-1j0nA:
undetectable
2h42B-1j0nA:
16.09
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE


(Methanosarcina
barkeri)
PF05369
(MtmB)
5 ALA A 242
ILE A 243
ALA A 285
LEU A  70
PHE A  12
None
0.97A 2h42B-1l2qA:
undetectable
2h42B-1l2qA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nf1 PROTEIN
(NEUROFIBROMIN)


(Homo sapiens)
PF00616
(RasGAP)
5 ALA A1429
ILE A1428
LEU A1300
ILE A1397
PHE A1347
None
1.05A 2h42B-1nf1A:
undetectable
2h42B-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.
1od5 GLYCININ

(Glycine max)
PF00190
(Cupin_1)
5 ALA A 336
ILE A 335
VAL A  72
ALA A 143
ILE A  69
None
None
None
CO3  A 496 ( 4.6A)
None
1.11A 2h42B-1od5A:
undetectable
2h42B-1od5A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.12A 2h42B-1qmoE:
undetectable
2h42B-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.
1t3d SERINE
ACETYLTRANSFERASE


(Escherichia
coli)
PF00132
(Hexapep)
PF06426
(SATase_N)
5 ILE A 170
VAL A 180
ALA A 206
ILE A 220
MET A 201
None
1.04A 2h42B-1t3dA:
undetectable
2h42B-1t3dA:
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.
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
1.08A 2h42B-1vzoA:
undetectable
2h42B-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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE


(Thermotoga
maritima)
PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1)
5 ASN A 601
ILE A 631
ALA A 607
ILE A 576
PHE A 581
None
1.06A 2h42B-1xpgA:
undetectable
2h42B-1xpgA:
19.09
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.
1zan FAB AD11 HEAVY CHAIN
FAB AD11 LIGHT CHAIN


(Rattus
norvegicus)
PF07654
(C1-set)
PF07686
(V-set)
5 TYR L  71
ALA L  25
ILE L   2
ALA L  34
LEU H 100
None
1.15A 2h42B-1zanL:
undetectable
2h42B-1zanL:
19.69
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.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A


(Homo sapiens)
PF00233
(PDEase_I)
6 TYR A 211
HIS A 212
VAL A 380
ILE A 409
GLN A 413
PHE A 416
IBM  A 503 (-4.6A)
None
IBM  A 503 (-4.7A)
None
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
0.68A 2h42B-1zklA:
34.8
2h42B-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)
5 TYR A 211
HIS A 212
VAL A 380
LEU A 401
GLN A 413
IBM  A 503 (-4.6A)
None
IBM  A 503 (-4.7A)
None
IBM  A 503 (-3.0A)
0.92A 2h42B-1zklA:
34.8
2h42B-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.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV


(Escherichia
coli)
PF01026
(TatD_DNase)
5 ASN A 257
ALA A  53
VAL A  93
ALA A  94
ILE A 131
None
1.11A 2h42B-1zzmA:
undetectable
2h42B-1zzmA:
21.65
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.
2d1p HYPOTHETICAL PROTEIN
YHEL


(Escherichia
coli)
PF04077
(DsrH)
5 ALA C  63
ILE C  62
VAL C  34
ALA C  37
ILE C  70
None
1.11A 2h42B-2d1pC:
undetectable
2h42B-2d1pC:
14.73
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.
2div TRNA SELENOCYSTEINE
ASSOCIATED PROTEIN


(Homo sapiens)
PF00076
(RRM_1)
5 ASN A  89
ALA A  52
ILE A  43
ILE A  26
PHE A  56
None
1.06A 2h42B-2divA:
undetectable
2h42B-2divA:
15.76
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.
2eg1 NITROGEN REGULATORY
PROTEIN P-II


(Aquifex
aeolicus)
PF00543
(P-II)
5 ALA A   6
ILE A  91
VAL A  16
ALA A  19
ILE A  23
None
1.15A 2h42B-2eg1A:
undetectable
2h42B-2eg1A:
14.91
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.
2iq7 ENDOPOLYGALACTURONAS
E


(Colletotrichum
lupini)
PF00295
(Glyco_hydro_28)
5 VAL A  51
ALA A  31
LEU A  46
ILE A  35
MET A  59
None
1.06A 2h42B-2iq7A:
undetectable
2h42B-2iq7A:
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.
2jah CLAVULANIC ACID
DEHYDROGENASE


(Streptomyces
clavuligerus)
PF00106
(adh_short)
5 ALA A  10
ILE A  12
VAL A 228
ALA A 227
ILE A 183
None
1.10A 2h42B-2jahA:
undetectable
2h42B-2jahA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kpt PUTATIVE SECRETED
PROTEIN


(Corynebacterium
glutamicum)
PF04536
(TPM_phosphatase)
5 ALA A  75
ILE A  76
ALA A 148
LEU A 121
ILE A 130
None
1.00A 2h42B-2kptA:
undetectable
2h42B-2kptA:
16.67
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.
2m3k MINOR PILIN COMP

(Neisseria
meningitidis)
PF16732
(ComP_DUS)
5 ALA A  73
ILE A  74
VAL A  12
ALA A  15
ILE A  45
None
1.09A 2h42B-2m3kA:
undetectable
2h42B-2m3kA:
18.48
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.
2q27 OXALYL-COA
DECARBOXYLASE


(Escherichia
coli)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ILE A 240
VAL A 277
ALA A 222
ILE A 251
PHE A 234
None
0.94A 2h42B-2q27A:
undetectable
2h42B-2q27A:
20.97
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)
5 TYR A 680
HIS A 681
VAL A 853
GLN A 887
PHE A 890
IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
IBM  A   3 ( 4.8A)
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
0.55A 2h42B-2r8qA:
38.1
2h42B-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.
2wy0 ANGIOTENSINOGEN

(Mus musculus)
PF00079
(Serpin)
5 ILE C 432
ALA C 104
LEU C 150
ILE C 173
GLN C 171
None
1.05A 2h42B-2wy0C:
undetectable
2h42B-2wy0C:
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.
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
1.15A 2h42B-2xhlB:
undetectable
2h42B-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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE


(Streptococcus
pneumoniae)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
5 ALA A 162
ILE A 164
VAL A 140
LEU A 254
ILE A 178
None
1.09A 2h42B-2ya2A:
undetectable
2h42B-2ya2A:
18.90
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.
2yoc PULLULANASE

(Klebsiella
oxytoca)
PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372)
5 ALA A 647
ILE A 646
ALA A 673
LEU A 712
PHE A 664
None
1.16A 2h42B-2yocA:
undetectable
2h42B-2yocA:
15.16
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.
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
1.06A 2h42B-2yzrA:
undetectable
2h42B-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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE


(Achromobacter
obae)
PF00202
(Aminotran_3)
5 ALA A 280
ILE A 284
VAL A 236
ALA A 202
ILE A 233
None
1.07A 2h42B-2zukA:
undetectable
2h42B-2zukA:
24.04
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)
10 TYR A 612
HIS A 613
ALA A 767
ILE A 768
VAL A 782
ALA A 783
ILE A 813
MET A 816
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)
VDN  A   1 ( 4.0A)
VDN  A   1 ( 4.2A)
VDN  A   1 (-4.0A)
VDN  A   1 (-3.0A)
VDN  A   1 (-3.6A)
0.36A 2h42B-3b2rA:
46.2
2h42B-3b2rA:
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION


(Halothermothrix
orenii)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ALA A 214
ILE A 215
VAL A 167
ALA A 166
PHE A 344
None
1.07A 2h42B-3bc9A:
undetectable
2h42B-3bc9A:
19.30
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)
10 TYR A 612
HIS A 613
ALA A 767
ILE A 768
VAL A 782
ALA A 783
ILE A 813
MET A 816
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 (-3.6A)
WAN  A 901 ( 4.3A)
WAN  A 901 (-4.3A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
0.47A 2h42B-3bjcA:
48.2
2h42B-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.
3bww PROTEIN OF UNKNOWN
FUNCTION
DUF692/COG3220


(Histophilus
somni)
PF05114
(DUF692)
5 TYR A 201
HIS A 203
ILE A  56
LEU A  61
ILE A  79
None
FE  A 308 (-3.4A)
None
None
None
1.15A 2h42B-3bwwA:
undetectable
2h42B-3bwwA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxj RAS
GTPASE-ACTIVATING
PROTEIN SYNGAP


(Rattus
norvegicus)
PF00168
(C2)
PF00616
(RasGAP)
5 ALA A 435
ILE A 439
LEU A 710
ILE A 396
PHE A 405
None
1.10A 2h42B-3bxjA:
undetectable
2h42B-3bxjA:
20.65
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.
3c1o EUGENOL SYNTHASE

(Clarkia breweri)
PF05368
(NmrA)
5 ALA A 137
ILE A 138
ALA A  99
LEU A  72
PHE A 106
None
1.12A 2h42B-3c1oA:
undetectable
2h42B-3c1oA:
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.
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
1.10A 2h42B-3dwfA:
undetectable
2h42B-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.
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)
0.46A 2h42B-3ecnA:
34.8
2h42B-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.
3gy9 GCN5-RELATED
N-ACETYLTRANSFERASE


(Exiguobacterium
sibiricum)
PF13673
(Acetyltransf_10)
5 ALA A  53
ILE A   5
LEU A 125
ILE A  78
MET A 101
None
1.06A 2h42B-3gy9A:
undetectable
2h42B-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.
3hpf MUCONATE
CYCLOISOMERASE


(Oceanobacillus
iheyensis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A 278
ILE A 272
ILE A 257
GLN A 253
PHE A 250
None
1.15A 2h42B-3hpfA:
undetectable
2h42B-3hpfA:
21.36
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.
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
0.58A 2h42B-3ibjA:
38.8
2h42B-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.
3kd9 COENZYME A DISULFIDE
REDUCTASE


(Pyrococcus
horikoshii)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 ASN A 311
ALA A 282
ILE A 262
ALA A  18
ILE A   8
None
0.91A 2h42B-3kd9A:
undetectable
2h42B-3kd9A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1


(Staphylococcus
aureus)
no annotation 5 TYR Q 320
ALA Q 121
ILE Q 119
ALA Q  17
ILE Q   7
NAD  Q 337 ( 3.8A)
NAD  Q 337 (-3.2A)
None
None
None
0.99A 2h42B-3ksdQ:
undetectable
2h42B-3ksdQ:
19.42
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.
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
1.01A 2h42B-3kwsA:
undetectable
2h42B-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.
3nuu PKB-LIKE

(Homo sapiens)
PF00069
(Pkinase)
5 ILE A 272
VAL A 190
ALA A 192
LEU A 350
ILE A 219
None
None
None
GOL  A 365 (-3.9A)
None
1.11A 2h42B-3nuuA:
undetectable
2h42B-3nuuA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r11 ENZYME OF ENOLASE
SUPERFAMILY


(Francisella
philomiragia)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A 286
ILE A 291
VAL A 248
ILE A 228
MET A 231
None
1.13A 2h42B-3r11A:
undetectable
2h42B-3r11A:
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.
3r2g INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE


(Legionella
pneumophila)
PF00478
(IMPDH)
5 ALA A  70
VAL A 203
ALA A 204
LEU A 218
ILE A 208
None
1.07A 2h42B-3r2gA:
undetectable
2h42B-3r2gA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3svi TYPE III EFFECTOR
HOPAB2


(Pseudomonas
syringae group
genomosp. 3)
no annotation 5 ALA A 211
ALA A 158
LEU A 178
MET A 166
PHE A 167
None
1.05A 2h42B-3sviA:
undetectable
2h42B-3sviA:
14.64
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.
3tjy EFFECTOR PROTEIN
HOPAB3


(Pseudomonas
syringae group
genomosp. 3)
no annotation 5 ALA A 211
ALA A 158
LEU A 178
MET A 166
PHE A 167
None
1.07A 2h42B-3tjyA:
undetectable
2h42B-3tjyA:
14.51
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.
3tk1 MEMBRANE
ATPASE/PROTEIN
KINASE


(Mycolicibacterium
thermoresistibile)
PF03308
(ArgK)
5 HIS A  54
ALA A  84
ALA A 142
LEU A  42
ILE A  12
None
1.15A 2h42B-3tk1A:
undetectable
2h42B-3tk1A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5


(Caenorhabditis
elegans)
PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C)
5 ILE A 689
VAL A 536
ALA A 643
ILE A 539
MET A 640
None
1.10A 2h42B-3ua4A:
undetectable
2h42B-3ua4A:
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.
3uel POLY(ADP-RIBOSE)
GLYCOHYDROLASE


(Rattus
norvegicus)
PF05028
(PARG_cat)
5 ALA A 844
ILE A 820
VAL A 861
ALA A 862
ILE A 722
None
None
None
None
A1R  A1001 (-4.2A)
1.09A 2h42B-3uelA:
undetectable
2h42B-3uelA:
18.68
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.
3uj2 ENOLASE 1

(Anaerostipes
caccae)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
6 ALA A 220
ILE A 221
VAL A 164
ALA A 245
LEU A 272
ILE A 288
None
1.18A 2h42B-3uj2A:
undetectable
2h42B-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
0.99A 2h42B-3uwdA:
undetectable
2h42B-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)
5 TYR A 367
HIS A 368
ALA A 524
GLN A 570
PHE A 573
WYQ  A 701 (-4.5A)
None
None
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
0.69A 2h42B-3v94A:
34.2
2h42B-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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT


(Thermochromatium
tepidum)
PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind)
5 ALA B 153
ILE B 151
ALA B 127
LEU B 136
ILE B  49
None
1.14A 2h42B-3vrdB:
undetectable
2h42B-3vrdB:
18.05
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.
3zxy SUBTILISIN-LIKE
PROTEIN


(Prochloron
didemni)
PF00082
(Peptidase_S8)
5 ILE A  65
VAL A 227
ALA A 228
LEU A 169
ILE A 115
None
1.15A 2h42B-3zxyA:
undetectable
2h42B-3zxyA:
21.13
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1


(Saccharomyces
cerevisiae)
PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn)
5 TYR A 213
ALA A  36
VAL A 209
ALA A 208
LEU A 201
None
1.10A 2h42B-4a9aA:
undetectable
2h42B-4a9aA:
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.
4c8g 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE


(Burkholderia
cenocepacia)
PF02542
(YgbB)
5 ALA A 152
ILE A  46
VAL A 100
ALA A 133
ILE A 111
None
None
None
C5P  A1163 (-3.6A)
None
1.16A 2h42B-4c8gA:
undetectable
2h42B-4c8gA:
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.
4dje CORRINOID/IRON-SULFU
R PROTEIN SMALL
SUBUNIT


(Moorella
thermoacetica)
PF03599
(CdhD)
5 ASN D 163
ILE D 298
ALA D 185
LEU D 172
ILE D 211
None
1.12A 2h42B-4djeD:
undetectable
2h42B-4djeD:
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.
4f55 SPORE CORTEX-LYTIC
ENZYME


(Bacillus cereus)
PF07486
(Hydrolase_2)
5 ASN A 209
ALA A 219
ILE A 220
ALA A 153
ILE A 190
None
1.06A 2h42B-4f55A:
undetectable
2h42B-4f55A:
18.15
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.
4f55 SPORE CORTEX-LYTIC
ENZYME


(Bacillus cereus)
PF07486
(Hydrolase_2)
5 ASN A 209
ALA A 219
VAL A 154
ALA A 153
ILE A 190
None
1.13A 2h42B-4f55A:
undetectable
2h42B-4f55A:
18.15
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.
4fc2 POLY(ADP-RIBOSE)
GLYCOHYDROLASE


(Mus musculus)
PF05028
(PARG_cat)
5 ALA A 841
ILE A 817
VAL A 858
ALA A 859
ILE A 719
None
1.09A 2h42B-4fc2A:
undetectable
2h42B-4fc2A:
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.
4fet SPORE CORTEX-LYTIC
ENZYME PREPEPTIDE


(Bacillus
anthracis)
no annotation 5 ASN B 203
ALA B 213
VAL B 148
ALA B 147
ILE B 184
None
1.14A 2h42B-4fetB:
undetectable
2h42B-4fetB:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE


(Escherichia
coli;
Escherichia
virus Qbeta)
PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B)
5 ASN A 558
ALA A 490
ILE A 491
VAL A 516
ILE A 521
None
0.91A 2h42B-4fwtA:
undetectable
2h42B-4fwtA:
14.12
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)
5 TYR A 655
HIS A 656
ILE A 855
GLN A 859
PHE A 862
None
0.42A 2h42B-4htzA:
40.3
2h42B-4htzA:
35.83
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1


(Mycolicibacterium
thermoresistibile)
PF00082
(Peptidase_S8)
5 ALA A 357
ILE A 360
VAL A 226
ALA A 225
ILE A 199
IMD  A 510 (-3.5A)
None
IMD  A 510 (-4.8A)
None
None
0.91A 2h42B-4hvlA:
undetectable
2h42B-4hvlA:
20.52
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)
5 TYR A 668
HIS A 669
VAL A 840
GLN A 874
PHE A 877
None
0.66A 2h42B-4i15A:
37.1
2h42B-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.
4id0 GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF


(Pseudomonas
fluorescens)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
5 ALA A 146
ILE A 147
VAL A 161
ALA A 162
ILE A 191
None
0.80A 2h42B-4id0A:
undetectable
2h42B-4id0A:
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1


(Mycolicibacterium
smegmatis)
PF00082
(Peptidase_S8)
5 ALA A 357
ILE A 360
VAL A 226
ALA A 225
ILE A 199
None
0.95A 2h42B-4kpgA:
undetectable
2h42B-4kpgA:
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1


(Physcomitrella
patens)
PF01156
(IU_nuc_hydro)
5 ALA A 200
ILE A 202
VAL A 151
ALA A 150
LEU A  86
None
1.05A 2h42B-4kpnA:
undetectable
2h42B-4kpnA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae)
PF00291
(PALP)
5 TYR X  79
ILE X  45
VAL X  80
ALA X  81
ILE X  65
None
LLP  X  42 ( 4.0A)
None
None
None
1.05A 2h42B-4li3X:
undetectable
2h42B-4li3X:
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1


(Mycolicibacterium
smegmatis)
PF00082
(Peptidase_S8)
5 ALA A 357
ILE A 360
VAL A 226
ALA A 225
ILE A 199
None
0.95A 2h42B-4m1zA:
undetectable
2h42B-4m1zA:
19.45
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN


(Thermomonospora
curvata)
PF13458
(Peripla_BP_6)
5 ALA A 296
ILE A 390
LEU A 213
ILE A 183
MET A 178
None
1.12A 2h42B-4n03A:
undetectable
2h42B-4n03A:
23.89
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.
4o5j UNCHARACTERIZED
PROTEIN


(Helicobacter
pylori)
no annotation 5 ALA A 247
ILE A 251
VAL A  89
ALA A  88
ILE A 349
None
1.11A 2h42B-4o5jA:
undetectable
2h42B-4o5jA:
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.
4oxr MANGANESE ABC
TRANSPORTER,
PERIPLASMIC-BINDING
PROTEIN SITA


(Staphylococcus
pseudintermedius)
PF01297
(ZnuA)
5 TYR A 167
ALA A  51
ILE A  53
ALA A 155
ILE A 113
None
0.87A 2h42B-4oxrA:
undetectable
2h42B-4oxrA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pe6 PUTATIVE ABC
TRANSPORTER


(Thermobispora
bispora)
PF13407
(Peripla_BP_4)
5 ALA A 238
ILE A 240
VAL A 284
ALA A 285
LEU A 319
None
1.12A 2h42B-4pe6A:
undetectable
2h42B-4pe6A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r8f VACUOLAR
AMINOPEPTIDASE 1


(Saccharomyces
cerevisiae)
PF02127
(Peptidase_M18)
5 ALA A 275
ILE A  71
ALA A 267
LEU A 291
ILE A  85
None
1.08A 2h42B-4r8fA:
undetectable
2h42B-4r8fA:
21.54
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.
4rae HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Mycobacterium
tuberculosis)
PF00155
(Aminotran_1_2)
5 ALA A 198
ILE A 171
VAL A 161
ALA A 160
ILE A 142
None
1.13A 2h42B-4raeA:
undetectable
2h42B-4raeA:
21.18
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.
4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN


(Mycobacterium
tuberculosis)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 ALA A 120
ILE A 118
VAL A 181
ALA A 221
LEU A 102
FDA  A 402 (-3.3A)
FDA  A 402 (-4.9A)
None
None
None
1.10A 2h42B-4xvxA:
undetectable
2h42B-4xvxA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS


(Bacillus
subtilis)
PF00067
(p450)
5 HIS A 342
ASN A 340
ALA A 358
ALA A 277
ILE A 274
HIS  A 342 ( 1.0A)
ASN  A 340 ( 0.6A)
ALA  A 358 (-0.0A)
ALA  A 277 ( 0.0A)
ILE  A 274 ( 0.4A)
1.08A 2h42B-4yzrA:
undetectable
2h42B-4yzrA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa)
PF00990
(GGDEF)
PF01590
(GAF)
5 ASN A 148
ALA A 125
ILE A  81
ALA A 154
ILE A  49
None
0.98A 2h42B-4zmuA:
undetectable
2h42B-4zmuA:
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus)
PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
5 ALA A 309
ILE A 244
ALA A 286
LEU A 275
PHE A 267
None
1.12A 2h42B-5a3yA:
undetectable
2h42B-5a3yA:
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.
5aga DNA POLYMERASE THETA

(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
5 TYR A 239
ALA A 544
ILE A 539
ALA A 554
LEU A 519
None
1.03A 2h42B-5agaA:
undetectable
2h42B-5agaA:
17.41
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.
5b58 PUTATIVE HEMIN ABC
TRANSPORT SYSTEM,
MEMBRANE PROTEIN


(Burkholderia
cenocepacia)
PF01032
(FecCD)
5 ALA A 182
ILE A 181
VAL A 161
ALA A 158
LEU A 268
None
0.93A 2h42B-5b58A:
undetectable
2h42B-5b58A:
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.
5e68 S-RIBOSYLHOMOCYSTEIN
E LYASE


(Salmonella
enterica)
PF02664
(LuxS)
5 HIS A  11
ALA A  22
VAL A   9
ALA A 160
LEU A 166
None
1.08A 2h42B-5e68A:
undetectable
2h42B-5e68A:
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus)
PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
5 ALA A 309
ILE A 244
ALA A 286
LEU A 275
PHE A 267
None
1.10A 2h42B-5fxnA:
undetectable
2h42B-5fxnA:
19.78
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 5 TYR A 668
HIS A 669
VAL A 841
GLN A 875
PHE A 878
LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.6A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
0.55A 2h42B-5h2rA:
37.6
2h42B-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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum)
PF00704
(Glyco_hydro_18)
5 ALA A  50
ILE A  51
VAL A  26
ALA A  25
PHE A 103
None
MLZ  A 101 ( 4.2A)
None
None
MLZ  A 101 ( 2.9A)
1.03A 2h42B-5jh8A:
undetectable
2h42B-5jh8A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ld5 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Atopobium
vaginae)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
5 TYR A 340
ALA A 138
ILE A 136
ALA A  32
ILE A  22
NAD  A 401 (-3.8A)
NAD  A 401 (-3.4A)
None
None
None
1.00A 2h42B-5ld5A:
undetectable
2h42B-5ld5A:
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.
5ng7 EPOXIDE HYDROLASE

(metagenome)
no annotation 5 TYR A 148
ALA A 243
ILE A 244
VAL A 149
MET A 133
None
1.06A 2h42B-5ng7A:
undetectable
2h42B-5ng7A:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o3m PROTOCATECHUATE
DECARBOXYLASE


(Klebsiella
pneumoniae)
PF01977
(UbiD)
5 ALA A 224
VAL A 236
ALA A 237
LEU A  86
ILE A 216
None
1.10A 2h42B-5o3mA:
undetectable
2h42B-5o3mA:
19.69
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116)
no annotation 5 ALA A  79
ILE A  80
ALA A 295
LEU A 319
ILE A 292
None
HEM  A 501 (-4.4A)
261  A 502 ( 3.9A)
None
HEM  A 501 ( 3.5A)
0.95A 2h42B-5omsA:
undetectable
2h42B-5omsA:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE


(Brucella
abortus)
PF13561
(adh_short_C2)
5 ALA A  62
ILE A  60
ALA A 125
ILE A  84
MET A  78
None
0.89A 2h42B-5t5qA:
undetectable
2h42B-5t5qA:
22.04
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.
5usd PEPTIDASE S66

(Bacillus
anthracis)
PF02016
(Peptidase_S66)
5 ALA A 196
ILE A 314
VAL A 257
LEU A 248
ILE A 201
None
1.11A 2h42B-5usdA:
undetectable
2h42B-5usdA:
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.
5vhf 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 3


(Homo sapiens)
PF01399
(PCI)
PF08375
(Rpn3_C)
5 HIS V 453
ALA V 434
ILE V 437
ALA V 449
ILE V 447
None
1.14A 2h42B-5vhfV:
undetectable
2h42B-5vhfV:
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.
5vmt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Neisseria
gonorrhoeae)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
5 TYR A 319
ALA A 121
ILE A 119
ALA A  17
ILE A   7
NAD  A 401 (-3.5A)
NAD  A 401 (-3.2A)
None
None
None
1.00A 2h42B-5vmtA:
undetectable
2h42B-5vmtA:
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis)
PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
5 ALA A  70
ILE A  66
ALA A  97
LEU A 107
PHE A  91
None
1.13A 2h42B-5vywA:
undetectable
2h42B-5vywA:
14.54
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.
5y37 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Streptococcus
agalactiae)
no annotation 5 TYR A 324
ALA A 126
ILE A 124
ALA A  21
ILE A  11
NAD  A 401 (-3.6A)
NAD  A 401 (-3.3A)
None
None
None
1.04A 2h42B-5y37A:
undetectable
2h42B-5y37A:
13.31
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.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE


(Acinetobacter
baumannii)
no annotation 5 ALA A  24
ILE A  21
VAL A 337
ALA A 336
ILE A 316
None
1.13A 2h42B-6bz0A:
undetectable
2h42B-6bz0A:
12.54
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.
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
1.15A 2h42B-6d7tA:
undetectable
2h42B-6d7tA:
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.
6gw5 -

(-)
no annotation 5 ALA A 243
ILE A 247
VAL A  89
ALA A  88
ILE A 345
None
1.09A 2h42B-6gw5A:
undetectable
2h42B-6gw5A:
undetectable