SIMILAR PATTERNS OF AMINO ACIDS FOR 3KHM_A_TPFA501

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.
1a0e XYLOSE ISOMERASE

(Thermotoga
neapolitana)
PF01261
(AP_endonuc_2)
4 PHE A 362
ALA A 296
ALA A 268
THR A 272
None
0.96A 3khmA-1a0eA:
undetectable
3khmA-1a0eA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ej6 LAMBDA1

(Reovirus sp.)
no annotation 4 ALA B 881
ALA B 885
THR B 807
LEU B 549
None
0.94A 3khmA-1ej6B:
undetectable
3khmA-1ej6B:
15.84
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.
1ggv DIENELACTONE
HYDROLASE


(Pseudomonas
putida)
PF01738
(DLH)
4 ALA A 216
ALA A 220
THR A 224
LEU A 164
None
0.80A 3khmA-1ggvA:
undetectable
3khmA-1ggvA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT


(Escherichia
coli)
PF00701
(DHDPS)
4 PHE A 100
ALA A  78
THR A  14
LEU A  27
None
0.97A 3khmA-1hl2A:
undetectable
3khmA-1hl2A:
19.06
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.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT


(Escherichia
coli)
PF00701
(DHDPS)
4 PHE A 100
TYR A  98
ALA A  78
THR A  14
None
0.77A 3khmA-1hl2A:
undetectable
3khmA-1hl2A:
19.06
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.
1nio B-LUFFIN

(Luffa
aegyptiaca)
PF00161
(RIP)
4 TYR A  82
TYR A  75
ALA A 150
ALA A 146
None
0.94A 3khmA-1nioA:
undetectable
3khmA-1nioA:
18.43
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.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus)
PF00067
(p450)
4 PHE A 114
ALA A 294
THR A 298
LEU A 359
DIF  A 501 (-4.5A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
DIF  A 501 (-4.4A)
0.74A 3khmA-1nr6A:
32.7
3khmA-1nr6A:
26.96
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.
1ojg SENSOR PROTEIN DCUS

(Escherichia
coli)
PF17203
(sCache_3_2)
4 TYR A 108
ALA A  60
ALA A  64
LEU A  73
None
0.92A 3khmA-1ojgA:
undetectable
3khmA-1ojgA:
13.57
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.
1s4o GLYCOLIPID
2-ALPHA-MANNOSYLTRAN
SFERASE


(Saccharomyces
cerevisiae)
PF01793
(Glyco_transf_15)
4 TYR A 319
ALA A 370
ALA A 368
LEU A 348
None
0.95A 3khmA-1s4oA:
undetectable
3khmA-1s4oA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1soi MUTT/NUDIX FAMILY
PROTEIN


(Deinococcus
radiodurans)
PF00293
(NUDIX)
4 ALA A  62
ALA A  66
THR A  70
LEU A  28
None
0.88A 3khmA-1soiA:
undetectable
3khmA-1soiA:
15.90
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.
1t34 ATRIAL NATRIURETIC
PEPTIDE RECEPTOR A


(Rattus
norvegicus)
PF01094
(ANF_receptor)
4 ALA A 111
ALA A 109
THR A 106
LEU A 104
None
0.87A 3khmA-1t34A:
undetectable
3khmA-1t34A:
20.93
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT


(Pseudomonas
putida)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C)
4 ALA C 240
ALA C 244
THR C 248
LEU C 213
None
0.50A 3khmA-1t3qC:
undetectable
3khmA-1t3qC:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis)
PF00067
(p450)
5 MET A  79
PHE A  83
ALA A 256
THR A 260
LEU A 321
ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
0.97A 3khmA-1x8vA:
38.0
3khmA-1x8vA:
32.71
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.
2fym ENOLASE

(Escherichia
coli)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
4 ALA A  22
ALA A  34
THR A 378
LEU A 129
None
0.98A 3khmA-2fymA:
undetectable
3khmA-2fymA:
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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE


(Lactobacillus
delbrueckii)
PF13419
(HAD_2)
4 PHE A  96
ALA A  24
THR A 108
LEU A 142
None
0.97A 3khmA-2hi0A:
undetectable
3khmA-2hi0A:
17.17
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT


(Streptococcus
mutans)
PF04223
(CitF)
4 TYR A 247
ALA A 257
ALA A 261
THR A 265
None
0.88A 3khmA-2hj0A:
undetectable
3khmA-2hj0A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i80 D-ALANINE-D-ALANINE
LIGASE


(Staphylococcus
aureus)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
4 MET A 133
PHE A 137
ALA A 280
ALA A 292
None
0.97A 3khmA-2i80A:
undetectable
3khmA-2i80A:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iml HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus)
PF04289
(DUF447)
4 ALA A  64
ALA A  17
THR A  52
LEU A  47
None
None
FMN  A 200 (-3.7A)
FMN  A 200 (-4.5A)
0.88A 3khmA-2imlA:
undetectable
3khmA-2imlA:
18.42
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.
2m5t HUMAN RHINOVIRUS 2A
PROTEINASE


(Rhinovirus C)
PF00947
(Pico_P2A)
4 ALA A  30
ALA A  33
THR A 120
LEU A  93
None
0.88A 3khmA-2m5tA:
undetectable
3khmA-2m5tA:
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.
2oqa LUFFACULIN 1

(Luffa
acutangula)
PF00161
(RIP)
4 TYR A  81
TYR A  74
ALA A 149
ALA A 145
None
0.98A 3khmA-2oqaA:
undetectable
3khmA-2oqaA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pth PEPTIDYL-TRNA
HYDROLASE


(Escherichia
coli)
PF01195
(Pept_tRNA_hydro)
4 ALA A 164
ALA A 168
THR A 172
LEU A  89
None
0.88A 3khmA-2pthA:
undetectable
3khmA-2pthA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG


(Mycobacterium
tuberculosis)
PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred)
4 ALA A 571
ALA A 575
THR A 579
LEU A 547
None
0.85A 3khmA-2pziA:
undetectable
3khmA-2pziA:
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.
2qlt (DL)-GLYCEROL-3-PHOS
PHATASE 1


(Saccharomyces
cerevisiae)
PF13419
(HAD_2)
4 TYR A 174
ALA A 203
ALA A 201
THR A 221
None
None
CA  A 278 ( 4.2A)
None
0.98A 3khmA-2qltA:
undetectable
3khmA-2qltA:
18.36
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.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE


(Bacillus
anthracis)
PF13561
(adh_short_C2)
4 ALA A 215
ALA A 219
THR A 223
LEU A  24
None
0.93A 3khmA-2uvdA:
undetectable
3khmA-2uvdA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w1p
AQUAPORIN PIP2-7 7


(Komagataella
pastoris)
PF00230
(MIP)
4 PHE A  56
ALA A 144
ALA A 148
THR A 152
None
0.57A 3khmA-2w1pA:
undetectable
3khmA-2w1pA:
18.22
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.
2whn PILUS ASSEMBLY
PROTEIN PILC


(Thermus
thermophilus)
PF00482
(T2SSF)
4 TYR A 131
ALA A  68
THR A  95
LEU A 104
None
0.99A 3khmA-2whnA:
undetectable
3khmA-2whnA:
15.02
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.
2ymv ACG NITROREDUCTASE

(Mycolicibacterium
smegmatis)
no annotation 4 ALA A  19
ALA A  15
THR A  11
LEU A   7
None
0.95A 3khmA-2ymvA:
undetectable
3khmA-2ymvA:
21.91
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT


(Sphingomonas
sp. A1)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
4 TYR B  36
ALA B 223
ALA B 227
THR B 231
None
0.75A 3khmA-3amjB:
undetectable
3khmA-3amjB:
23.21
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.
3god CAS1

(Pseudomonas
aeruginosa)
PF01867
(Cas_Cas1)
4 ALA A 233
ALA A 237
THR A 241
LEU A 313
None
0.69A 3khmA-3godA:
undetectable
3khmA-3godA:
22.96
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.
3hjw 50S RIBOSOMAL
PROTEIN L7AE


(Pyrococcus
furiosus)
PF01248
(Ribosomal_L7Ae)
4 TYR C  80
ALA C  98
THR C  37
LEU C  67
None
U  D  30 ( 3.5A)
U  D  30 ( 3.6A)
None
0.94A 3khmA-3hjwC:
undetectable
3khmA-3hjwC:
13.35
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.
3jd5 28S RIBOSOMAL
PROTEIN S2,
MITOCHONDRIAL
28S RIBOSOMAL
PROTEIN S9,
MITOCHONDRIAL


(Bos taurus)
PF00318
(Ribosomal_S2)
PF00380
(Ribosomal_S9)
4 TYR I 152
PHE B 160
ALA B 197
ALA B 201
None
0.72A 3khmA-3jd5I:
undetectable
3khmA-3jd5I:
23.49
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
4 MET A  48
ALA A 311
ALA A 309
LEU A  54
None
0.95A 3khmA-3kf3A:
undetectable
3khmA-3kf3A:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE


(Trypanosoma
cruzi)
PF00067
(p450)
5 MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
0.61A 3khmA-3kswA:
45.6
3khmA-3kswA:
98.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE


(Trypanosoma
cruzi)
PF00067
(p450)
5 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
VNF  A 490 ( 3.8A)
None
VNF  A 490 (-4.6A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
0.66A 3khmA-3kswA:
45.6
3khmA-3kswA:
98.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE


(Trypanosoma
cruzi)
PF00067
(p450)
5 TYR A 103
MET A 106
ALA A 287
ALA A 291
THR A 295
None
VNF  A 490 ( 3.8A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
0.59A 3khmA-3kswA:
45.6
3khmA-3kswA:
98.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE


(Trypanosoma
cruzi)
PF00067
(p450)
5 TYR A 103
MET A 106
TYR A 116
ALA A 287
ALA A 291
None
VNF  A 490 ( 3.8A)
VNF  A 490 (-4.6A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
0.77A 3khmA-3kswA:
45.6
3khmA-3kswA:
98.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE


(Leishmania
infantum)
PF00067
(p450)
4 MET A 105
PHE A 109
TYR A 102
ALA A 290
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 (-4.7A)
TPF  A 490 ( 3.4A)
0.97A 3khmA-3l4dA:
55.4
3khmA-3l4dA:
76.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE


(Leishmania
infantum)
PF00067
(p450)
7 TYR A 102
MET A 105
PHE A 109
ALA A 286
ALA A 290
THR A 294
LEU A 355
HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
0.56A 3khmA-3l4dA:
55.4
3khmA-3l4dA:
76.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE


(Leishmania
infantum)
PF00067
(p450)
7 TYR A 102
MET A 105
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
0.49A 3khmA-3l4dA:
55.4
3khmA-3l4dA:
76.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803)
PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7)
4 ALA A 165
ALA A 161
THR A 157
LEU A 150
None
0.95A 3khmA-3l76A:
undetectable
3khmA-3l76A:
21.32
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE


(Mycobacterium
avium)
PF00378
(ECH_1)
4 ALA A 107
ALA A 109
THR A  85
LEU A 210
None
0.92A 3khmA-3p5mA:
undetectable
3khmA-3p5mA:
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE


(Mycobacterium
avium)
PF00378
(ECH_1)
4 ALA A 107
ALA A 109
THR A  85
LEU A 213
None
0.94A 3khmA-3p5mA:
undetectable
3khmA-3p5mA:
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
4 ALA A  49
ALA A  53
THR A  57
LEU A  39
NAI  A 500 ( 3.9A)
None
None
None
0.90A 3khmA-3q2iA:
undetectable
3khmA-3q2iA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q2k OXIDOREDUCTASE

(Bordetella
pertussis)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
4 ALA A  48
ALA A  52
THR A  56
LEU A  38
NAI  A 500 ( 3.9A)
None
None
None
0.89A 3khmA-3q2kA:
undetectable
3khmA-3q2kA:
22.83
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.
3r44 FATTY ACYL COA
SYNTHETASE FADD13
(FATTY-ACYL-COA
SYNTHETASE)


(Mycobacterium
tuberculosis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 PHE A 231
ALA A 253
THR A 485
LEU A 286
None
0.95A 3khmA-3r44A:
undetectable
3khmA-3r44A:
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.
3rkr SHORT CHAIN
OXIDOREDUCTASE


(uncultured
bacterium Bio5)
PF00106
(adh_short)
4 ALA A 213
ALA A 217
THR A 221
LEU A   4
None
0.70A 3khmA-3rkrA:
undetectable
3khmA-3rkrA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
4 TYR A 440
ALA A 391
ALA A 395
THR A 399
None
0.92A 3khmA-3uonA:
2.2
3khmA-3uonA:
22.24
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.
4co8 ETS TRANSLOCATION
VARIANT 4


(Homo sapiens)
PF00178
(Ets)
4 TYR A 418
MET A 408
PHE A 420
LEU A 395
None
0.73A 3khmA-4co8A:
undetectable
3khmA-4co8A:
15.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE


(Trypanosoma
brucei)
PF00067
(p450)
7 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
0.57A 3khmA-4g3jA:
55.7
3khmA-4g3jA:
85.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE


(Trypanosoma
brucei)
PF00067
(p450)
4 PHE A 110
TYR A 103
ALA A 287
ALA A 291
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
0.68A 3khmA-4g3jA:
55.7
3khmA-4g3jA:
85.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE


(Trypanosoma
brucei)
PF00067
(p450)
4 TYR A 103
ALA A 288
THR A 295
LEU A 356
VNT  A 502 ( 4.8A)
HEM  A 501 (-4.4A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
0.99A 3khmA-4g3jA:
55.7
3khmA-4g3jA:
85.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE


(Trypanosoma
brucei)
PF00067
(p450)
4 TYR A 103
MET A 106
THR A 295
LEU A 356
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
0.93A 3khmA-4g3jA:
55.7
3khmA-4g3jA:
85.49
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Enterococcus
gallinarum)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 TYR A 181
ALA A 215
ALA A 219
THR A 251
LEU A 227
None
1.34A 3khmA-4hnlA:
undetectable
3khmA-4hnlA:
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.
4hz4 GLUTATHIONE-S-TRANSF
ERASE


(Actinobacillus
pleuropneumoniae)
PF00043
(GST_C)
PF02798
(GST_N)
4 ALA A 193
ALA A 197
THR A 201
LEU A  30
None
0.67A 3khmA-4hz4A:
undetectable
3khmA-4hz4A:
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Dickeya
paradisiaca)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 TYR A 199
ALA A 233
ALA A 237
THR A 269
LEU A 245
None
1.47A 3khmA-4ihcA:
undetectable
3khmA-4ihcA:
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.
4iri TRANSCRIPTIONAL
REGULATOR ERG


(Homo sapiens)
PF00178
(Ets)
4 TYR A 371
MET A 361
PHE A 373
LEU A 348
None
0.77A 3khmA-4iriA:
undetectable
3khmA-4iriA:
14.32
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH


(Vibrio
parahaemolyticus)
PF02386
(TrkH)
4 ALA A 306
ALA A 310
THR A 314
LEU A 339
None
0.79A 3khmA-4j9uA:
undetectable
3khmA-4j9uA:
20.49
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN


(Thermotoga
maritima)
PF00496
(SBP_bac_5)
4 TYR A 298
ALA A 504
ALA A 305
LEU A 313
None
0.87A 3khmA-4jsoA:
undetectable
3khmA-4jsoA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0c DEFORMYLASE

(Pseudomonas
putida)
PF12697
(Abhydrolase_6)
4 MET A   1
PHE A  18
ALA A  42
LEU A 166
None
0.76A 3khmA-4l0cA:
undetectable
3khmA-4l0cA:
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.
4l15 FIDGETIN-LIKE
PROTEIN 1


(Caenorhabditis
elegans)
PF00004
(AAA)
PF09336
(Vps4_C)
4 MET A 307
PHE A 378
ALA A 404
THR A 290
None
0.86A 3khmA-4l15A:
undetectable
3khmA-4l15A:
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae)
PF00873
(ACR_tran)
4 PHE A 626
ALA A 639
ALA A 643
THR A 647
None
0.82A 3khmA-4mt1A:
undetectable
3khmA-4mt1A:
18.27
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.
4n4p ACYLNEURAMINATE
LYASE


(Mycoplasma
synoviae)
PF00701
(DHDPS)
4 TYR A 244
TYR A 241
THR A  51
LEU A 257
None
None
CL  A 300 (-4.0A)
None
0.80A 3khmA-4n4pA:
undetectable
3khmA-4n4pA:
24.13
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE


(Legionella
pneumophila)
PF00701
(DHDPS)
4 ALA A  74
ALA A  41
THR A  11
LEU A  23
None
0.97A 3khmA-4nq1A:
undetectable
3khmA-4nq1A:
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE


(Legionella
pneumophila)
PF00701
(DHDPS)
4 TYR A  94
ALA A  74
ALA A  41
THR A  11
None
0.93A 3khmA-4nq1A:
undetectable
3khmA-4nq1A:
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.
4omg GERANYLGERANYL
DIPHOSPHATE CYCLASE


(Streptomyces
melanosporofaciens)
no annotation 4 TYR A 194
ALA A 208
THR A 212
LEU A 281
None
0.96A 3khmA-4omgA:
undetectable
3khmA-4omgA:
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.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3


(Escherichia
virus T4;
Rattus
norvegicus)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
4 TYR A 543
ALA A 494
ALA A 498
THR A 502
None
0.93A 3khmA-4u14A:
undetectable
3khmA-4u14A:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE


(Homo sapiens)
PF00067
(p450)
5 TYR A 131
PHE A 139
TYR A 145
ALA A 311
THR A 315
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
0.64A 3khmA-4uhiA:
37.9
3khmA-4uhiA:
35.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE


(Aspergillus
fumigatus)
PF00067
(p450)
5 TYR A 122
PHE A 130
TYR A 136
ALA A 303
ALA A 307
VOR  A 590 (-3.8A)
VOR  A 590 (-4.6A)
HEM  A 580 (-4.6A)
VOR  A 590 ( 4.4A)
VOR  A 590 ( 4.0A)
0.65A 3khmA-4uymA:
41.4
3khmA-4uymA:
31.74
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.
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1


(Homo sapiens)
PF00155
(Aminotran_1_2)
4 MET A 131
TYR A 128
ALA A 107
ALA A 103
None
0.80A 3khmA-4wlhA:
undetectable
3khmA-4wlhA:
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.
4wp0 KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1


(Homo sapiens)
PF00155
(Aminotran_1_2)
4 MET A 131
TYR A 128
ALA A 107
ALA A 103
None
0.81A 3khmA-4wp0A:
undetectable
3khmA-4wp0A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans)
PF02011
(Glyco_hydro_48)
4 TYR A  55
ALA A 234
ALA A  63
THR A  66
None
0.99A 3khmA-4xwlA:
undetectable
3khmA-4xwlA:
20.26
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.
4yrp HISTIDYL-TRNA
SYNTHETASE


(Trypanosoma
cruzi)
PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His)
5 TYR A 149
MET A 173
PHE A 360
ALA A 191
ALA A 194
None
1.50A 3khmA-4yrpA:
undetectable
3khmA-4yrpA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a08 PROBABLE
MANNOSYLTRANSFERASE
KTR4


(Saccharomyces
cerevisiae)
PF01793
(Glyco_transf_15)
4 TYR A 342
ALA A 393
ALA A 391
LEU A 371
None
0.99A 3khmA-5a08A:
undetectable
3khmA-5a08A:
18.69
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.
5apm VP1
VP3


(Parechovirus A)
no annotation 4 PHE A 206
ALA A 108
THR A 216
LEU B 130
None
0.96A 3khmA-5apmA:
undetectable
3khmA-5apmA:
17.17
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.
5axh DEXTRANASE

(Thermoanaerobacter
pseudethanolicus)
PF13199
(Glyco_hydro_66)
4 TYR A 235
TYR A 184
THR A 276
LEU A 279
GLC  A 703 ( 4.7A)
GLC  A 703 ( 4.4A)
None
None
0.98A 3khmA-5axhA:
undetectable
3khmA-5axhA:
21.32
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum)
no annotation 4 PHE A  74
ALA A  72
ALA A 129
LEU A 186
None
0.90A 3khmA-5b5zA:
undetectable
3khmA-5b5zA:
20.26
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.
5brl STAR-RELATED LIPID
TRANSFER PROTEIN 4


(Mus musculus)
PF01852
(START)
4 ALA A 201
ALA A 205
THR A 209
LEU A  98
None
0.92A 3khmA-5brlA:
undetectable
3khmA-5brlA:
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.
5c0u ALKYLMERCURY LYASE

(Escherichia
coli)
PF03243
(MerB)
PF12324
(HTH_15)
4 PHE A 165
ALA A 171
ALA A 175
LEU A 181
None
0.82A 3khmA-5c0uA:
undetectable
3khmA-5c0uA:
18.74
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1


(Pseudomonas
stutzeri)
PF00115
(COX1)
PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N)
4 MET C   1
ALA C  10
THR C  13
LEU A 271
None
0.77A 3khmA-5djqC:
undetectable
3khmA-5djqC:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e8g FRIEND LEUKEMIA
INTEGRATION 1
TRANSCRIPTION FACTOR


(Homo sapiens)
PF00178
(Ets)
4 TYR A 358
MET A 348
PHE A 360
LEU A 335
None
0.67A 3khmA-5e8gA:
undetectable
3khmA-5e8gA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f2o FATTY ACID
O-METHYLTRANSFERASE


(Mycobacterium
marinum)
PF03492
(Methyltransf_7)
4 PHE A 222
TYR A 224
ALA A 258
ALA A 154
None
5UF  A 401 ( 4.3A)
None
5UF  A 401 ( 4.9A)
0.87A 3khmA-5f2oA:
undetectable
3khmA-5f2oA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fcl CRISPR-ASSOCIATED
ENDONUCLEASE CAS1


(Pectobacterium
atrosepticum)
PF01867
(Cas_Cas1)
4 ALA A 234
ALA A 238
THR A 242
LEU A 314
None
0.77A 3khmA-5fclA:
undetectable
3khmA-5fclA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans)
PF00067
(p450)
4 PHE A 126
TYR A 132
THR A 311
LEU A 376
X2N  A 590 (-4.8A)
HEM  A 580 (-4.1A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
0.88A 3khmA-5fsaA:
35.7
3khmA-5fsaA:
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.
5fsh CSM6

(Thermus
thermophilus)
PF09670
(Cas_Cas02710)
4 ALA A  63
ALA A  65
THR A  95
LEU A  99
None
0.99A 3khmA-5fshA:
undetectable
3khmA-5fshA:
24.08
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.
5gmx CARBOXYLESTERASE

(uncultured
bacterium)
PF00144
(Beta-lactamase)
4 TYR A  92
ALA A 169
ALA A 173
THR A 177
None
0.95A 3khmA-5gmxA:
undetectable
3khmA-5gmxA:
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE


(Saccharomyces
cerevisiae)
PF00067
(p450)
4 PHE A 134
TYR A 140
THR A 318
LEU A 380
VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
0.51A 3khmA-5hs1A:
39.3
3khmA-5hs1A:
29.36
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE


(Saccharomyces
cerevisiae)
PF00067
(p450)
4 TYR A 126
TYR A 140
THR A 318
LEU A 380
VOR  A 602 ( 3.8A)
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
0.66A 3khmA-5hs1A:
39.3
3khmA-5hs1A:
29.36
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.
5i39 L-AMINO ACID
DEAMINASE


(Proteus
vulgaris)
PF01266
(DAO)
4 PHE A 201
ALA A 100
THR A 436
LEU A  65
None
None
FAD  A 501 (-3.9A)
FAD  A 501 (-3.8A)
0.91A 3khmA-5i39A:
undetectable
3khmA-5i39A:
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.
5ilu ETS TRANSLOCATION
VARIANT 4


(Homo sapiens)
PF00178
(Ets)
4 TYR A 418
MET A 408
PHE A 420
LEU A 395
None
0.73A 3khmA-5iluA:
undetectable
3khmA-5iluA:
11.69
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.
5inw C-TERMINAL PEPTIDE
OF PUTATIVE
ANGIOTENSINOGEN
PUTATIVE
ANGIOTENSINOGEN


(Lampetra
fluviatilis)
PF00079
(Serpin)
4 ALA A  83
ALA A  81
THR C 439
LEU A 160
None
1.00A 3khmA-5inwA:
undetectable
3khmA-5inwA:
21.77
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.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE


([Candida]
glabrata)
PF00067
(p450)
5 TYR A 127
PHE A 135
TYR A 141
THR A 319
LEU A 381
1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
0.68A 3khmA-5jlcA:
38.6
3khmA-5jlcA:
29.55
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.
5jvt FRIEND LEUKEMIA
INTEGRATION 1
TRANSCRIPTION FACTOR


(Homo sapiens)
PF00178
(Ets)
4 TYR A 358
MET A 348
PHE A 360
LEU A 335
None
0.79A 3khmA-5jvtA:
undetectable
3khmA-5jvtA:
13.15
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.
5k3h ACYL-COENZYME A
OXIDASE


(Caenorhabditis
elegans)
PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N)
4 ALA A 353
ALA A 357
THR A 361
LEU A 386
None
0.70A 3khmA-5k3hA:
undetectable
3khmA-5k3hA:
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE


(Mycolicibacterium
smegmatis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 TYR A 249
ALA A 290
ALA A 287
LEU A 301
None
0.87A 3khmA-5keiA:
undetectable
3khmA-5keiA:
22.96
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)


(Helicobacter
pylori)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
4 PHE A 302
ALA A 267
ALA A 159
LEU A 275
None
0.96A 3khmA-5lp4A:
undetectable
3khmA-5lp4A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nii THIOREDOXIN
REDUCTASE


(Desulfovibrio
vulgaris)
no annotation 4 ALA A  14
ALA A  18
THR A  22
LEU A   6
FAD  A 401 (-3.3A)
None
None
None
0.90A 3khmA-5niiA:
undetectable
3khmA-5niiA:
9.87
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis)
no annotation 4 ALA A 404
ALA A 452
THR A 477
LEU A 481
None
0.94A 3khmA-5xb7A:
undetectable
3khmA-5xb7A:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE


(Naegleria
fowleri)
no annotation 8 TYR A 107
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
TPF  A 506 (-4.2A)
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
0.79A 3khmA-6ay4A:
45.0
3khmA-6ay4A:
37.68
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.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum)
no annotation 4 MET A 299
PHE A 301
ALA A 275
LEU A 344
None
0.99A 3khmA-6d47A:
undetectable
3khmA-6d47A:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g3u -

(-)
no annotation 4 TYR A   9
ALA A 609
THR A 637
LEU A 663
None
0.89A 3khmA-6g3uA:
undetectable
3khmA-6g3uA:
undetectable