SIMILAR PATTERNS OF AMINO ACIDS FOR 5OEX_B_CUB602

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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		3 LYS A 210
HIS A 694
HIS A 698
 None
 1.23A 5oexB-1cjyA:
0.4		 5oexB-1cjyA:
20.74
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 LYS B 107
HIS B 109
HIS B  58
 None
 1.39A 5oexB-1ffvB:
0.0		 5oexB-1ffvB:
20.85
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		3 LYS A 261
HIS A 265
HIS A 264
 None
 1.11A 5oexB-1fsuA:
0.0		 5oexB-1fsuA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		3 LYS A 100
HIS A 128
HIS A  79
 None
CUZ  A4801 (-3.2A)
CUZ  A4801 (-3.2A)
 0.95A 5oexB-1fwxA:
8.0		 5oexB-1fwxA:
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.
1im8 YECO

(Haemophilus
influenzae) 		PF13649
(Methyltransf_25) 		3 LYS A 184
HIS A 180
HIS A 181
 None
 1.23A 5oexB-1im8A:
0.0		 5oexB-1im8A:
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.
1nlf REGULATORY PROTEIN
REPA

(Escherichia
coli) 		PF13481
(AAA_25) 		3 LYS A 261
HIS A  93
HIS A 255
 None
 0.91A 5oexB-1nlfA:
0.0		 5oexB-1nlfA:
20.85
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.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		3 LYS A  42
HIS A 202
HIS A 199
 SAM  A 301 (-3.0A)
None
None
 1.30A 5oexB-1nt2A:
0.0		 5oexB-1nt2A:
17.45
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.
1qni NITROUS-OXIDE
REDUCTASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 3 LYS A 100
HIS A 128
HIS A  79
 None
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
 1.02A 5oexB-1qniA:
6.2		 5oexB-1qniA:
22.86
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.
1ucd RIBONUCLEASE MC

(Momordica
charantia) 		PF00445
(Ribonuclease_T2) 		3 LYS A  87
HIS A  83
HIS A  88
 U5P  A 500 (-2.7A)
U5P  A 500 (-3.8A)
U5P  A 500 (-3.7A)
 1.42A 5oexB-1ucdA:
0.0		 5oexB-1ucdA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1us2 ENDO-BETA-1,4-XYLANA
SE

(Cellvibrio
japonicus) 		PF00331
(Glyco_hydro_10)
PF03426
(CBM_15) 		3 LYS A 287
HIS A 288
HIS A 250
 None
 1.27A 5oexB-1us2A:
undetectable		 5oexB-1us2A:
21.24
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.
1vlm SAM-DEPENDENT
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		3 LYS A   0
HIS A   3
HIS A   0
 None
 1.21A 5oexB-1vlmA:
undetectable		 5oexB-1vlmA:
18.76
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.
1vqs HYPOTHETICAL PROTEIN
AGR_L_1239

(Agrobacterium
fabrum) 		PF07978
(NIPSNAP) 		3 LYS A  96
HIS A  -4
HIS A   0
 None
 0.94A 5oexB-1vqsA:
undetectable		 5oexB-1vqsA:
13.08
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.
1xv2 HYPOTHETICAL
PROTEIN, SIMILAR TO
ALPHA-ACETOLACTATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF03306
(AAL_decarboxy) 		3 LYS A 147
HIS A 120
HIS A 122
 None
 1.20A 5oexB-1xv2A:
undetectable		 5oexB-1xv2A:
18.08
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT

(Methylococcus
capsulatus) 		PF04744
(Monooxygenase_B) 		3 LYS A  33
HIS A 139
HIS A  33
 CUA  A   3 (-3.9A)
CUA  A   3 (-3.1A)
CUA  A   3 (-2.9A)
 1.13A 5oexB-1yewA:
undetectable		 5oexB-1yewA:
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.
2dct HYPOTHETICAL PROTEIN
TTHA0104

(Thermus
thermophilus) 		PF07883
(Cupin_2) 		3 LYS A  51
HIS A  46
HIS A  85
 None
 1.40A 5oexB-2dctA:
undetectable		 5oexB-2dctA:
13.41
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.
2dj6 HYPOTHETICAL PROTEIN
PH0634

(Pyrococcus
horikoshii) 		PF01242
(PTPS) 		3 LYS A  27
HIS A  15
HIS A  29
 HIS  A  27 ( 0.0A)
HIS  A  15 ( 1.0A)
HIS  A  29 ( 1.0A)
 1.10A 5oexB-2dj6A:
undetectable		 5oexB-2dj6A:
16.08
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.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		3 LYS A   5
HIS A   7
HIS A   5
 None
 1.34A 5oexB-2dwuA:
undetectable		 5oexB-2dwuA:
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		3 LYS A 183
HIS A 157
HIS A 284
 UD1  A 902 ( 3.3A)
PMP  A 901 (-3.9A)
None
 1.43A 5oexB-2fnuA:
undetectable		 5oexB-2fnuA:
21.27
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.
2fsr ACETYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13302
(Acetyltransf_3) 		3 LYS A  91
HIS A  63
HIS A  84
 None
 1.12A 5oexB-2fsrA:
undetectable		 5oexB-2fsrA:
15.89
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.
2fyw CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF01784
(NIF3) 		3 LYS A  64
HIS A  65
HIS A  99
 None
 1.33A 5oexB-2fywA:
undetectable		 5oexB-2fywA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9f NUCLEOCAPSID

(Equine
arteritis virus) 		PF01481
(Arteri_nucleo) 		3 LYS A   6
HIS A   7
HIS A   6
 None
 1.37A 5oexB-2i9fA:
undetectable		 5oexB-2i9fA:
9.41
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		3 LYS A 121
HIS A 204
HIS A 201
 None
 1.41A 5oexB-2ipcA:
undetectable		 5oexB-2ipcA:
19.13
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.
2ld6 CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF01627
(Hpt) 		3 LYS A  48
HIS A  64
HIS A  45
 None
 1.01A 5oexB-2ld6A:
undetectable		 5oexB-2ld6A:
13.66
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.
2nnu REGULATORY PROTEIN
E2

(Alphapapillomavirus
9) 		PF00508
(PPV_E2_N) 		3 LYS A  14
HIS A  35
HIS A  18
 None
 1.29A 5oexB-2nnuA:
undetectable		 5oexB-2nnuA:
18.38
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.
2oca ATP-DEPENDENT DNA
HELICASE UVSW

(Escherichia
virus T4) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		3 LYS A 355
HIS A 424
HIS A 356
 None
 1.15A 5oexB-2ocaA:
undetectable		 5oexB-2ocaA:
22.28
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.
2pke HALOACID
DELAHOGENASE-LIKE
FAMILY HYDROLASE

(Xanthomonas
campestris) 		PF13419
(HAD_2) 		3 LYS A 143
HIS A 108
HIS A 139
 None
 1.43A 5oexB-2pkeA:
undetectable		 5oexB-2pkeA:
21.24
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.
2q1t PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE

(Bordetella
bronchiseptica) 		PF01370
(Epimerase) 		3 LYS A 118
HIS A 119
HIS A 179
 None
 1.22A 5oexB-2q1tA:
undetectable		 5oexB-2q1tA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q7r ARACHIDONATE
5-LIPOXYGENASE-ACTIV
ATING PROTEIN

(Homo sapiens) 		PF01124
(MAPEG) 		3 LYS A  29
HIS A  32
HIS A  28
 None
 1.17A 5oexB-2q7rA:
undetectable		 5oexB-2q7rA:
14.84
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.
2qtz METHIONINE SYNTHASE
REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		3 LYS A 606
HIS A 604
HIS A 632
 None
 1.10A 5oexB-2qtzA:
undetectable		 5oexB-2qtzA:
21.09
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		3 LYS A 326
HIS A 293
HIS A 331
 None
 1.43A 5oexB-2vz9A:
undetectable		 5oexB-2vz9A:
11.43
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.
2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A

(Homo sapiens) 		PF00160
(Pro_isomerase) 		3 LYS B 126
HIS B  92
HIS B 126
 ALY  B 125 ( 3.5A)
None
ALY  B 125 ( 3.6A)
 1.44A 5oexB-2x25B:
undetectable		 5oexB-2x25B:
14.87
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 LYS A 674
HIS A 681
HIS A 718
 None
 1.11A 5oexB-2zxqA:
1.9		 5oexB-2zxqA:
16.58
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		3 LYS A 373
HIS A 344
HIS A 377
 None
 0.91A 5oexB-2zzgA:
undetectable		 5oexB-2zzgA:
21.19
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.
3al9 PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		3 LYS A 154
HIS A 153
HIS A 157
 None
 1.35A 5oexB-3al9A:
8.1		 5oexB-3al9A:
21.82
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		3 LYS A  -7
HIS A  -6
HIS A  -7
 None
 1.12A 5oexB-3ayrA:
undetectable		 5oexB-3ayrA:
21.47
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		3 LYS A 296
HIS A 284
HIS A  25
 None
 1.01A 5oexB-3b5qA:
undetectable		 5oexB-3b5qA:
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.
3e73 LANC-LIKE PROTEIN 1

(Homo sapiens) 		PF05147
(LANC_like) 		3 LYS A 317
HIS A 274
HIS A 323
 GSH  A 502 (-2.7A)
GSH  A 502 (-4.0A)
ZN  A 501 ( 3.0A)
 1.30A 5oexB-3e73A:
undetectable		 5oexB-3e73A:
20.70
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 LYS A 650
HIS A 657
HIS A 694
 None
 1.12A 5oexB-3ecqA:
2.8		 5oexB-3ecqA:
15.09
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.
3f2z UNCHARACTERIZED
PROTEIN BF3579

(Bacteroides
fragilis) 		PF00754
(F5_F8_type_C) 		3 LYS A 320
HIS A 318
HIS A 321
 None
 1.22A 5oexB-3f2zA:
undetectable		 5oexB-3f2zA:
17.45
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.
3hv9 PROTEIN FIMX

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		3 LYS A 524
HIS A 521
HIS A 526
 None
 1.03A 5oexB-3hv9A:
undetectable		 5oexB-3hv9A:
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.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		3 LYS A   7
HIS A  10
HIS A   7
 None
 1.36A 5oexB-3kgbA:
undetectable		 5oexB-3kgbA:
19.86
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.
3lms CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		3 LYS A 212
HIS A 216
HIS A 242
 None
 1.13A 5oexB-3lmsA:
undetectable		 5oexB-3lmsA:
20.56
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.
3ltj ALPHAREP-4

(synthetic
construct) 		PF02985
(HEAT)
PF03130
(HEAT_PBS)
PF13646
(HEAT_2) 		3 LYS A  12
HIS A  12
HIS A  14
 None
 1.08A 5oexB-3ltjA:
undetectable		 5oexB-3ltjA:
19.70
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.
3mtj HOMOSERINE
DEHYDROGENASE

(Thiobacillus
denitrificans) 		PF00742
(Homoserine_dh)
PF01842
(ACT)
PF03447
(NAD_binding_3) 		3 LYS A 109
HIS A 203
HIS A 105
 None
 1.21A 5oexB-3mtjA:
undetectable		 5oexB-3mtjA:
24.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o2k BREVIANAMIDE F
PRENYLTRANSFERASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		3 LYS A 294
HIS A 366
HIS A 368
 DST  A 501 (-2.9A)
None
None
 0.86A 5oexB-3o2kA:
undetectable		 5oexB-3o2kA:
22.00
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.
3qay ENDOLYSIN

(Clostridium
virus phiCD27) 		PF01520
(Amidase_3) 		3 LYS A   0
HIS A  46
HIS A   0
 None
 1.17A 5oexB-3qayA:
undetectable		 5oexB-3qayA:
17.30
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.
3qlj SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		3 LYS A 175
HIS A 128
HIS A 124
 None
None
CL  A 302 (-4.5A)
 0.98A 5oexB-3qljA:
undetectable		 5oexB-3qljA:
21.82
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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 3 LYS A 150
HIS A 178
HIS A 129
 None
CUK  A 702 (-3.1A)
CUK  A 702 (-3.5A)
 1.07A 5oexB-3sbqA:
7.3		 5oexB-3sbqA:
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.
3t0o RIBONUCLEASE T2

(Homo sapiens) 		PF00445
(Ribonuclease_T2) 		3 LYS A 117
HIS A 113
HIS A 118
 None
 1.45A 5oexB-3t0oA:
undetectable		 5oexB-3t0oA:
16.56
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.
3tbj ACTIBIND

(Aspergillus
niger) 		PF00445
(Ribonuclease_T2) 		3 LYS A 137
HIS A 133
HIS A 138
 PO4  A 304 (-2.9A)
PO4  A 304 (-3.7A)
PO4  A 304 (-3.9A)
 1.29A 5oexB-3tbjA:
undetectable		 5oexB-3tbjA:
16.04
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.
3v96 METALLOPROTEINASE
INHIBITOR 1
STROMELYSIN-2

(Homo sapiens;
Homo sapiens) 		PF00965
(TIMP)
PF00413
(Peptidase_M10) 		3 LYS A   1
HIS B 217
HIS B 227
 ZN  B 301 (-2.9A)
ZN  B 301 (-3.2A)
ZN  B 301 (-3.2A)
 1.17A 5oexB-3v96A:
undetectable		 5oexB-3v96A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4acq ALPHA-2-MACROGLOBULI
N

(Homo sapiens) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		3 LYS A 521
HIS A 523
HIS A 479
 None
 1.20A 5oexB-4acqA:
undetectable		 5oexB-4acqA:
15.27
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		3 LYS A 412
HIS A 415
HIS A 335
 None
 1.20A 5oexB-4aeeA:
2.9		 5oexB-4aeeA:
19.55
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.
4b3v E1 ENVELOPE
GLYCOPROTEIN

(Rubella virus) 		PF05748
(Rubella_E1) 		3 LYS A 153
HIS A 152
HIS A 150
 None
 1.48A 5oexB-4b3vA:
undetectable		 5oexB-4b3vA:
21.21
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.
4dvk E(RNS) GLYCOPROTEIN

(Pestivirus A) 		no annotation 3 LYS A  80
HIS A  76
HIS A  81
 SO4  A1112 (-2.5A)
SO4  A1113 ( 3.9A)
SO4  A1112 (-3.7A)
 1.38A 5oexB-4dvkA:
undetectable		 5oexB-4dvkA:
16.49
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 3 LYS A -21
HIS A -17
HIS A -18
 None
EDO  A 307 (-3.7A)
None
 1.08A 5oexB-4ehcA:
undetectable		 5oexB-4ehcA:
21.68
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.
4f0x MALONYL-COA
DECARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF05292
(MCD)
PF17408
(MCD_N) 		3 LYS A 146
HIS A 142
HIS A 143
 None
 1.33A 5oexB-4f0xA:
undetectable		 5oexB-4f0xA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fdh CYTOCHROME P450
11B2, MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		3 LYS A 469
HIS A 466
HIS A 470
 None
 1.41A 5oexB-4fdhA:
undetectable		 5oexB-4fdhA:
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.
4fgu LEGUMAIN

(Homo sapiens) 		PF01650
(Peptidase_C13) 		3 LYS A  28
HIS A  29
HIS A 140
 None
 1.32A 5oexB-4fguA:
undetectable		 5oexB-4fguA:
23.70
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.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		3 LYS A  88
HIS A 111
HIS A 115
 None
 0.94A 5oexB-4hxqA:
undetectable		 5oexB-4hxqA:
21.16
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.
4kzp OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF00106
(adh_short) 		3 LYS A 182
HIS A 134
HIS A 130
 None
 1.01A 5oexB-4kzpA:
undetectable		 5oexB-4kzpA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l01 TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 LYS A 648
HIS A 647
HIS A 649
 None
 0.99A 5oexB-4l01A:
undetectable		 5oexB-4l01A:
19.33
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.
4nat PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Staphylococcus
aureus) 		PF01467
(CTP_transf_like) 		3 LYS A  67
HIS A  34
HIS A  69
 None
 1.00A 5oexB-4natA:
undetectable		 5oexB-4natA:
15.23
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.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		3 LYS A 118
HIS A  41
HIS A 118
 None
 1.36A 5oexB-4urlA:
undetectable		 5oexB-4urlA:
20.55
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.
4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED

(Thermoanaerobacter
italicus) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		3 LYS A 210
HIS A 205
HIS A 216
 SF4  A 501 (-3.3A)
None
None
 0.98A 5oexB-4wcxA:
undetectable		 5oexB-4wcxA:
21.45
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.
4zaa FDC1

(Aspergillus
niger) 		PF01977
(UbiD) 		3 LYS A 297
HIS A 181
HIS A 177
 None
 0.93A 5oexB-4zaaA:
undetectable		 5oexB-4zaaA:
22.65
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.
4zba PCURE2P8

(Phanerochaete
chrysosporium) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 LYS A   2
HIS A  65
HIS A   4
 None
 1.36A 5oexB-4zbaA:
undetectable		 5oexB-4zbaA:
19.19
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.
4zgz ANTIZYME INHIBITOR 1

(Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		3 LYS A 195
HIS A 154
HIS A 197
 None
 1.10A 5oexB-4zgzA:
undetectable		 5oexB-4zgzA:
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 LYS A 650
HIS A 657
HIS A 694
 None
 1.15A 5oexB-5a55A:
2.2		 5oexB-5a55A:
18.57
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		3 LYS A   7
HIS A   9
HIS A   8
 None
 1.25A 5oexB-5aqaA:
undetectable		 5oexB-5aqaA:
24.36
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.
5bpt MGC81278 PROTEIN

(Xenopus laevis) 		PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4) 		3 LYS A 247
HIS A 355
HIS A 250
 None
 0.85A 5oexB-5bptA:
5.7		 5oexB-5bptA:
21.40
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.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 3 LYS A 126
HIS A 122
HIS A 230
 None
None
A3P  A 301 (-4.2A)
 1.20A 5oexB-5bykA:
undetectable		 5oexB-5bykA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c98 AGAP007691-PB

(Anopheles
gambiae) 		PF00079
(Serpin) 		3 LYS A 286
HIS A 218
HIS A 358
 None
 1.35A 5oexB-5c98A:
undetectable		 5oexB-5c98A:
19.78
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.
5esx PURINE/PYRIMIDINE
PHOSPHORIBOSYLTRANSF
ERASE

(Legionella
pneumophila) 		PF00156
(Pribosyltran) 		3 LYS A  13
HIS A 185
HIS A 182
 None
 1.26A 5oexB-5esxA:
undetectable		 5oexB-5esxA:
18.10
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		3 LYS X   9
HIS X   9
HIS X  14
 ALY  X   8 ( 3.5A)
ALY  X   8 ( 3.7A)
ALY  X  17 ( 4.0A)
 1.40A 5oexB-5eztX:
undetectable		 5oexB-5eztX:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 3 LYS A 103
HIS A 135
HIS A 528
 CU  A 602 (-2.2A)
CU  A 602 (-3.1A)
CU  A 602 (-3.0A)
 0.10A 5oexB-5f75A:
72.3		 5oexB-5f75A:
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 3 LYS A 244
HIS A 150
HIS A 245
 NAG  A 704 (-2.7A)
GAL  A 703 (-4.0A)
GAL  A 703 (-3.9A)
 1.38A 5oexB-5gqfA:
undetectable		 5oexB-5gqfA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ipx ORF49 PROTEIN

(Human
gammaherpesvirus
8) 		PF04793
(Herpes_BBRF1) 		3 LYS A 295
HIS A 292
HIS A 296
 None
None
SO4  A 403 (-3.4A)
 1.00A 5oexB-5ipxA:
undetectable		 5oexB-5ipxA:
21.24
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.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		3 LYS A  18
HIS A  57
HIS A  53
 None
 1.40A 5oexB-5irpA:
undetectable		 5oexB-5irpA:
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		3 LYS C 174
HIS C 205
HIS C 203
 MN  C2002 ( 2.7A)
MN  C2002 (-3.6A)
MN  C2002 (-3.5A)
 1.34A 5oexB-5ks8C:
undetectable		 5oexB-5ks8C:
22.01
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.
5l5g PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		3 LYS A 154
HIS A 153
HIS A 157
 None
 1.25A 5oexB-5l5gA:
7.1		 5oexB-5l5gA:
16.52
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN3

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF08375
(Rpn3_C) 		3 LYS S  23
HIS S  19
HIS S  20
 None
 1.01A 5oexB-5mpdS:
undetectable		 5oexB-5mpdS:
20.14
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.
5mu7 COATOMER SUBUNIT
BETA

(Chaetomium
thermophilum) 		PF01602
(Adaptin_N) 		3 LYS A 232
HIS A 201
HIS A 236
 None
 1.39A 5oexB-5mu7A:
undetectable		 5oexB-5mu7A:
20.25
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.
5n1t COPC

(Thioalkalivibrio
paradoxus) 		no annotation 3 LYS M   1
HIS M   3
HIS M   1
 None
 1.12A 5oexB-5n1tM:
undetectable		 5oexB-5n1tM:
17.94
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.
5ncl CBK1 KINASE
ACTIVATOR PROTEIN
MOB2

(Saccharomyces
cerevisiae) 		no annotation 3 LYS B 157
HIS B 228
HIS B 232
 None
 1.22A 5oexB-5nclB:
undetectable		 5oexB-5nclB:
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.
5o1r GNA2132

(Neisseria
meningitidis) 		no annotation 3 LYS A 414
HIS A 362
HIS A 327
 None
 1.25A 5oexB-5o1rA:
undetectable		 5oexB-5o1rA:
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 3 LYS A 527
HIS A 549
HIS A 530
 None
 1.12A 5oexB-5oasA:
undetectable		 5oexB-5oasA:
23.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oex -

(-) 		no annotation 3 LYS A 103
HIS A 135
HIS A 528
 CU  A 602 (-2.6A)
CU  A 602 ( 3.0A)
CU  A 602 ( 3.0A)
 0.13A 5oexB-5oexA:
74.2		 5oexB-5oexA:
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 LYS A 271
HIS A 246
HIS A 218
 None
 1.36A 5oexB-5opjA:
undetectable		 5oexB-5opjA:
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.
5umu FACT COMPLEX SUBUNIT
SPT16

(Homo sapiens) 		no annotation 3 LYS A 705
HIS A 723
HIS A 706
 None
 1.28A 5oexB-5umuA:
undetectable		 5oexB-5umuA:
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.
5uow N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR1-8A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		3 LYS A 706
HIS A 703
HIS A 707
 None
 1.46A 5oexB-5uowA:
undetectable		 5oexB-5uowA:
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 3 LYS A 560
HIS A 557
HIS A 561
 None
 0.81A 5oexB-5ys9A:
undetectable		 5oexB-5ys9A:
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.
5yy0 CYTOSOLIC
NIFE-HYDROGENASE,
ALPHA SUBUNIT

(Thermococcus
kodakarensis) 		no annotation 3 LYS A 249
HIS A 262
HIS A 260
 None
 1.20A 5oexB-5yy0A:
undetectable		 5oexB-5yy0A:
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.
6b4w DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		no annotation 3 LYS A 577
HIS A 641
HIS A 581
 None
 0.92A 5oexB-6b4wA:
undetectable		 5oexB-6b4wA:
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.
6bo7 HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Plasmodium
vivax) 		no annotation 3 LYS A  -1
HIS A   1
HIS A  -1
 None
 1.39A 5oexB-6bo7A:
undetectable		 5oexB-6bo7A:
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.
6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2

(Candidatus
Methanoperedens
nitroreducens) 		no annotation 3 LYS A 126
HIS A 125
HIS A 123
 None
 1.48A 5oexB-6bxnA:
undetectable		 5oexB-6bxnA:
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.
6cvq APRATAXIN

(Homo sapiens) 		no annotation 3 LYS A 338
HIS A 335
HIS A 339
 None
ZN  A 402 (-3.2A)
ZN  A 402 (-3.2A)
 1.23A 5oexB-6cvqA:
undetectable		 5oexB-6cvqA:
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 3 LYS A2467
HIS A2464
HIS A2279
 None
 1.25A 5oexB-6emkA:
undetectable		 5oexB-6emkA:
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 3 LYS A 346
HIS A 350
HIS A  40
 None
 1.26A 5oexB-6etiA:
undetectable		 5oexB-6etiA:
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.
6fx4 E3 UBIQUITIN-PROTEIN
LIGASE SMURF2

(Homo sapiens) 		no annotation 3 LYS A  14
HIS A  71
HIS A  15
 None
 0.74A 5oexB-6fx4A:
undetectable		 5oexB-6fx4A:
undetectable