SIMILAR PATTERNS OF AMINO ACIDS FOR 2NYR_B_SVRB401_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.
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H


(Streptomyces
plicatus)
PF00704
(Glyco_hydro_18)
5 ALA A  45
ALA A 173
TYR A 136
ILE A  48
LEU A 156
ALA  A  45 ( 0.0A)
ALA  A 173 ( 0.0A)
TYR  A 136 ( 1.3A)
ILE  A  48 ( 0.6A)
LEU  A 156 ( 0.6A)
1.05A 2nyrA-1c8xA:
undetectable
2nyrA-1c8xA:
20.32
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.
1cpc C-PHYCOCYANIN (ALPHA
SUBUNIT)


(Microchaete
diplosiphon)
PF00502
(Phycobilisome)
5 THR A  96
ALA A  52
ALA A  55
ILE A 166
LEU A 173
None
1.15A 2nyrA-1cpcA:
undetectable
2nyrA-1cpcA:
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE


(Shewanella
oneidensis)
PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2)
5 ALA A 532
THR A 536
ALA A 353
ALA A 351
ILE A 131
None
None
None
None
FAD  A 600 ( 4.7A)
0.99A 2nyrA-1d4eA:
2.6
2nyrA-1d4eA:
20.39
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.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1)
PF00082
(Peptidase_S8)
5 ALA A 205
THR A  18
ALA A  94
ALA A 237
ILE A 253
None
1.21A 2nyrA-1dbiA:
undetectable
2nyrA-1dbiA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1evl THREONYL-TRNA
SYNTHETASE


(Escherichia
coli)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
5 ALA A 565
ALA A 538
ILE A 632
LEU A 640
MET A 619
None
1.02A 2nyrA-1evlA:
undetectable
2nyrA-1evlA:
20.82
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.
1khw RNA-DIRECTED RNA
POLYMERASE


(Rabbit
hemorrhagic
disease virus)
PF00680
(RdRP_1)
5 ALA A 492
ALA A 461
ARG A 499
PHE A 468
LEU A 426
None
1.04A 2nyrA-1khwA:
undetectable
2nyrA-1khwA:
19.10
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.
1mpt M-PROTEASE

(Bacillus
clausii)
PF00082
(Peptidase_S8)
5 ALA A 223
ALA A 270
ALA A 273
ILE A 198
LEU A 148
None
1.15A 2nyrA-1mptA:
undetectable
2nyrA-1mptA:
22.59
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.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT


(Mycobacterium
tuberculosis)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD)
5 ALA A 135
THR A 129
ALA A 205
PHE A 362
TYR A 361
None
1.01A 2nyrA-1nl3A:
undetectable
2nyrA-1nl3A:
13.58
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.
1qf6 THREONYL-TRNA
SYNTHETASE


(Escherichia
coli)
PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD)
5 ALA A 565
ALA A 538
ILE A 632
LEU A 640
MET A 619
None
1.11A 2nyrA-1qf6A:
undetectable
2nyrA-1qf6A:
19.32
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.
1qup SUPEROXIDE DISMUTASE
1 COPPER CHAPERONE


(Saccharomyces
cerevisiae)
PF00080
(Sod_Cu)
PF00403
(HMA)
5 ALA A  80
THR A 182
ALA A 178
ILE A  70
PHE A 153
None
1.15A 2nyrA-1qupA:
undetectable
2nyrA-1qupA:
23.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s5p NAD-DEPENDENT
DEACETYLASE


(Escherichia
coli)
PF02146
(SIR2)
6 ALA A  49
THR A  59
ALA A  76
PHE A  91
TYR A  92
ILE A 131
None
0.90A 2nyrA-1s5pA:
18.8
2nyrA-1s5pA:
36.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s5p NAD-DEPENDENT
DEACETYLASE


(Escherichia
coli)
PF02146
(SIR2)
6 THR A  59
ALA A  76
PHE A  91
TYR A  92
ILE A 131
PHE A 190
None
0.93A 2nyrA-1s5pA:
18.8
2nyrA-1s5pA:
36.50
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE


(Thermus
thermophilus)
PF00291
(PALP)
5 ALA A 127
THR A  91
ALA A 109
ALA A  78
LEU A  57
None
1.16A 2nyrA-1ve1A:
2.8
2nyrA-1ve1A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae)
PF00491
(Arginase)
5 ALA A 323
ALA A  75
ALA A 312
ILE A 298
LEU A 276
None
1.04A 2nyrA-1xfkA:
3.8
2nyrA-1xfkA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE


(Saccharomyces
cerevisiae)
PF00343
(Phosphorylase)
5 ALA A 223
ALA A 302
PHE A 298
LEU A  87
TYR A 161
None
1.10A 2nyrA-1ygpA:
undetectable
2nyrA-1ygpA:
15.80
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.
1yrz XYLAN
BETA-1,4-XYLOSIDASE


(Bacillus
halodurans)
PF04616
(Glyco_hydro_43)
5 ALA A1264
THR A1282
ILE A1005
LEU A1313
TYR A1026
None
1.19A 2nyrA-1yrzA:
undetectable
2nyrA-1yrzA:
18.01
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE


(Streptococcus
pyogenes)
PF00478
(IMPDH)
PF00571
(CBS)
5 THR A 339
ALA A 342
ALA A 355
ILE A 456
LEU A 441
None
1.08A 2nyrA-1zfjA:
undetectable
2nyrA-1zfjA:
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.
2ayn UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 14


(Homo sapiens)
PF00443
(UCH)
5 ALA A 131
ALA A 321
ALA A 406
ILE A 217
PHE A 405
None
1.07A 2nyrA-2aynA:
undetectable
2nyrA-2aynA:
18.73
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.
2gou OXIDOREDUCTASE,
FMN-BINDING


(Shewanella
oneidensis)
PF00724
(Oxidored_FMN)
5 ALA A 182
ALA A 167
ALA A 170
LEU A  53
TYR A 266
None
1.18A 2nyrA-2gouA:
undetectable
2nyrA-2gouA:
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT


(Thermus
thermophilus)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD)
5 THR A 119
ALA A 112
TYR A 144
LEU A 179
TYR A 378
None
0.91A 2nyrA-2ipcA:
2.2
2nyrA-2ipcA:
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.
2ixm SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'


(Homo sapiens)
PF03095
(PTPA)
5 THR A 153
ALA A 160
PHE A 185
ILE A 221
TYR A  45
None
1.20A 2nyrA-2ixmA:
undetectable
2nyrA-2ixmA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2a HYPOTHETICAL PROTEIN
GBS1413


(Streptococcus
agalactiae)
PF06619
(DUF1149)
5 ALA A   0
ALA A  96
ALA A  53
ARG A   5
ILE A  76
None
1.16A 2nyrA-2o2aA:
undetectable
2nyrA-2o2aA:
19.23
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha)
PF07859
(Abhydrolase_3)
5 ALA A 139
ALA A 178
ILE A 194
PHE A  89
MET A 111
None
1.20A 2nyrA-2o7rA:
2.2
2nyrA-2o7rA:
22.82
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.
2oew PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN


(Homo sapiens)
PF03097
(BRO1)
5 ALA A 170
THR A 166
ALA A 159
ALA A 128
ILE A 179
None
1.15A 2nyrA-2oewA:
undetectable
2nyrA-2oewA:
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.
2q1y CELL DIVISION
PROTEIN FTSZ


(Mycobacterium
tuberculosis)
PF00091
(Tubulin)
PF12327
(FtsZ_C)
5 ALA A 309
ALA A 238
ALA A 275
ILE A 289
LEU A 197
None
1.18A 2nyrA-2q1yA:
6.1
2nyrA-2q1yA:
20.82
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.
2r62 CELL DIVISION
PROTEASE FTSH
HOMOLOG


(Helicobacter
pylori)
PF00004
(AAA)
5 ALA A 316
ALA A 315
ILE A 274
PHE A 267
LEU A 254
None
1.08A 2nyrA-2r62A:
undetectable
2nyrA-2r62A:
22.88
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.
2vda TRANSLOCASE SUBUNIT
SECA


(Escherichia
coli)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD)
5 ALA A 136
THR A 130
ALA A 206
PHE A 381
TYR A 380
None
1.16A 2nyrA-2vdaA:
2.3
2nyrA-2vdaA:
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.
2w3z PUTATIVE DEACETYLASE

(Streptococcus
mutans)
PF01522
(Polysacc_deac_1)
5 THR A 207
ALA A  87
ALA A  83
ILE A 157
LEU A 126
None
1.14A 2nyrA-2w3zA:
undetectable
2nyrA-2w3zA:
21.52
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.
2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90


(Hordeum vulgare)
PF00183
(HSP90)
PF02518
(HATPase_c)
5 THR A 139
ALA A 129
PHE A 126
ILE A  79
LEU A 187
None
1.06A 2nyrA-2xcmA:
undetectable
2nyrA-2xcmA:
19.22
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.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE


(Saccharopolyspora
erythraea)
PF00067
(p450)
5 THR B  88
ALA B 299
ALA B 298
LEU B 196
TYR B  50
None
1.15A 2nyrA-2yjnB:
undetectable
2nyrA-2yjnB:
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.
2z04 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
ATPASE SUBUNIT


(Aquifex
aeolicus)
PF02222
(ATP-grasp)
5 ALA A 252
THR A 235
ALA A 277
ILE A 230
LEU A  80
None
0.98A 2nyrA-2z04A:
4.9
2nyrA-2z04A:
19.95
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE


(Homo sapiens)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 ALA A 376
ALA A 293
PHE A 174
PHE A 290
MET A 438
None
None
MYA  A   1 (-4.8A)
None
None
1.22A 2nyrA-3b96A:
undetectable
2nyrA-3b96A:
19.27
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.
3bjd PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE


(Pseudomonas
aeruginosa)
PF14515
(HOASN)
PF14518
(Haem_oxygenas_2)
5 ALA A 173
ALA A 238
PHE A 298
ARG A 292
LEU A 154
None
1.20A 2nyrA-3bjdA:
undetectable
2nyrA-3bjdA:
23.60
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.
3bn1 PEROSAMINE
SYNTHETASE


(Caulobacter
vibrioides)
PF01041
(DegT_DnrJ_EryC1)
5 ALA A 178
ALA A 158
PHE A 180
LEU A 251
TYR A  48
None
0.96A 2nyrA-3bn1A:
undetectable
2nyrA-3bn1A:
20.80
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.
3bwm CATECHOL
O-METHYLTRANSFERASE


(Homo sapiens)
PF01596
(Methyltransf_3)
5 ALA A  67
THR A  99
ALA A 106
ALA A  22
MET A 137
None
1.07A 2nyrA-3bwmA:
4.7
2nyrA-3bwmA:
21.51
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.
3c2u XYLOSIDASE/ARABINOSI
DASE


(Selenomonas
ruminantium)
PF04616
(Glyco_hydro_43)
PF07081
(DUF1349)
5 ALA A 262
THR A 292
ILE A   3
LEU A 321
TYR A  24
None
1.19A 2nyrA-3c2uA:
undetectable
2nyrA-3c2uA:
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum)
PF07992
(Pyr_redox_2)
5 ALA A 267
THR A 249
ALA A 286
ALA A 287
LEU A  30
None
1.15A 2nyrA-3fbsA:
3.3
2nyrA-3fbsA:
24.47
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.
3h4p PROTEASOME SUBUNIT
BETA


(Methanocaldococcus
jannaschii)
PF00227
(Proteasome)
PF10584
(Proteasome_A_N)
5 ALA a  52
THR a   7
ALA a 143
ALA a 167
LEU a 118
None
1.14A 2nyrA-3h4pa:
undetectable
2nyrA-3h4pa:
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.
3ib3 COCE/NOND FAMILY
HYDROLASE


(Staphylococcus
aureus)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
5 ALA A  73
THR A 174
ALA A 188
ILE A 150
PHE A 316
None
1.03A 2nyrA-3ib3A:
undetectable
2nyrA-3ib3A:
18.00
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA


(Thermotoga
maritima)
PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD)
5 ALA A 129
THR A 123
ALA A 249
PHE A 406
TYR A 405
None
1.15A 2nyrA-3juxA:
undetectable
2nyrA-3juxA:
14.53
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.
3lca PROTEIN TOM71

(Saccharomyces
cerevisiae)
PF00515
(TPR_1)
PF13181
(TPR_8)
PF14559
(TPR_19)
5 ALA A 364
THR A 387
PHE A 401
PHE A 276
LEU A 346
None
1.17A 2nyrA-3lcaA:
undetectable
2nyrA-3lcaA:
19.73
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.
3llx PREDICTED AMINO ACID
ALDOLASE OR RACEMASE


(Idiomarina
loihiensis)
PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat)
5 ALA A 194
ALA A 158
ILE A 147
PHE A 165
LEU A 111
None
1.16A 2nyrA-3llxA:
undetectable
2nyrA-3llxA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgz 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE


(Mycobacterium
tuberculosis)
PF00926
(DHBP_synthase)
5 ALA A  92
THR A 107
ALA A  38
ALA A 160
LEU A  71
None
1.09A 2nyrA-3mgzA:
undetectable
2nyrA-3mgzA:
23.47
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.
3n0t DIPEPTIDYL PEPTIDASE
2


(Homo sapiens)
PF05577
(Peptidase_S28)
5 ALA A 310
ALA A 262
ILE A 303
PHE A 261
LEU A 249
None
1.10A 2nyrA-3n0tA:
undetectable
2nyrA-3n0tA:
19.04
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.
3n0t DIPEPTIDYL PEPTIDASE
2


(Homo sapiens)
PF05577
(Peptidase_S28)
5 THR A 304
ALA A 310
ALA A 262
ILE A 227
PHE A 261
None
1.08A 2nyrA-3n0tA:
undetectable
2nyrA-3n0tA:
19.04
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.
3n2t PUTATIVE
OXIDOREDUCTASE


(Gluconobacter
oxydans)
PF00248
(Aldo_ket_red)
5 THR A  13
ALA A 156
ALA A 177
ILE A   6
LEU A 281
None
1.21A 2nyrA-3n2tA:
undetectable
2nyrA-3n2tA:
23.74
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.
3oit OS07G0271500 PROTEIN

(Oryza sativa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
5 ALA A 180
THR A 140
ALA A 116
ALA A 119
ILE A 356
None
1.04A 2nyrA-3oitA:
undetectable
2nyrA-3oitA:
21.37
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I


(Rhodobacter
sphaeroides)
PF00115
(COX1)
5 ALA A 134
THR A 210
ALA A 236
ILE A 128
PHE A 116
None
1.07A 2nyrA-3omnA:
undetectable
2nyrA-3omnA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oqp PUTATIVE
ISOCHORISMATASE


(Paraburkholderia
xenovorans)
PF00857
(Isochorismatase)
5 ALA A  39
THR A 178
ALA A 174
ALA A 173
LEU A 103
None
1.18A 2nyrA-3oqpA:
6.0
2nyrA-3oqpA:
23.40
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE


(Plasmodium
falciparum)
PF00342
(PGI)
5 THR A 507
ALA A 169
PHE A 165
ILE A 428
LEU A 450
None
1.20A 2nyrA-3qkiA:
3.6
2nyrA-3qkiA:
17.91
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII


(Streptomyces
venezuelae)
PF08659
(KR)
5 ALA A  94
ALA A 179
ALA A 183
ILE A 173
LEU A  50
None
1.21A 2nyrA-3qp9A:
3.0
2nyrA-3qp9A:
21.41
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.
3qtp ENOLASE 1

(Entamoeba
histolytica)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 ALA A 228
THR A 186
ALA A 401
ILE A 194
LEU A 161
None
1.19A 2nyrA-3qtpA:
undetectable
2nyrA-3qtpA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tdu DCN1-LIKE PROTEIN 1

(Homo sapiens)
PF03556
(Cullin_binding)
5 ALA A 106
ALA A 111
PHE A 117
PHE A 160
LEU A 173
None
1.20A 2nyrA-3tduA:
undetectable
2nyrA-3tduA:
19.56
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.
3tqk PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE


(Francisella
tularensis)
PF00793
(DAHP_synth_1)
5 ALA A  49
ALA A 181
ALA A 208
PHE A 190
LEU A 259
None
1.19A 2nyrA-3tqkA:
undetectable
2nyrA-3tqkA:
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.
3wqu CELL DIVISION
PROTEIN FTSA


(Staphylococcus
aureus)
PF02491
(SHS2_FTSA)
PF14450
(FtsA)
5 ALA A 362
THR A 365
ALA A 215
TYR A 217
ILE A 192
None
1.15A 2nyrA-3wquA:
undetectable
2nyrA-3wquA:
17.58
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.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE


(Streptomyces
coelicolor)
PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5)
5 ALA A 109
ALA A 201
ILE A 231
PHE A 197
LEU A 235
None
1.22A 2nyrA-3zgjA:
undetectable
2nyrA-3zgjA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE


(Streptomyces
coelicolor)
PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5)
5 THR A 134
ALA A 114
PHE A 202
TYR A 198
ILE A 141
None
1.20A 2nyrA-3zgjA:
undetectable
2nyrA-3zgjA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE


(Brucella
melitensis)
no annotation 5 ALA D 236
ALA D 221
ALA D 218
ILE D 253
LEU D 277
None
1.14A 2nyrA-4em6D:
3.8
2nyrA-4em6D:
18.94
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.
4evz HISF-LUCA

(synthetic
construct)
PF00977
(His_biosynth)
5 ALA A 221
ALA A 222
PHE A 214
ILE A 235
LEU A  10
None
1.02A 2nyrA-4evzA:
undetectable
2nyrA-4evzA:
25.09
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.
4fdd TRANSPORTIN-1

(Homo sapiens)
PF03810
(IBN_N)
PF13513
(HEAT_EZ)
5 ALA A 505
THR A 547
ILE A 522
PHE A 530
LEU A 490
None
1.10A 2nyrA-4fddA:
undetectable
2nyrA-4fddA:
15.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL


(Homo sapiens)
PF02146
(SIR2)
7 ALA A  59
THR A  69
ALA A  86
PHE A 101
TYR A 102
ILE A 142
LEU A 227
CNA  A 402 (-3.0A)
CNA  A 402 (-3.8A)
None
None
None
CNA  A 402 (-4.7A)
None
0.88A 2nyrA-4g1cA:
37.7
2nyrA-4g1cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL


(Homo sapiens)
PF02146
(SIR2)
6 THR A  69
ALA A  82
ALA A  86
TYR A 102
ILE A 142
LEU A 227
CNA  A 402 (-3.8A)
None
None
None
CNA  A 402 (-4.7A)
None
1.07A 2nyrA-4g1cA:
37.7
2nyrA-4g1cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL


(Homo sapiens)
PF02146
(SIR2)
7 THR A  69
ALA A  86
PHE A 101
TYR A 102
ILE A 142
PHE A 223
LEU A 227
CNA  A 402 (-3.8A)
None
None
None
CNA  A 402 (-4.7A)
None
None
0.95A 2nyrA-4g1cA:
37.7
2nyrA-4g1cA:
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.
4gao DCN1-LIKE PROTEIN 2

(Homo sapiens)
PF03556
(Cullin_binding)
5 ALA A 106
ALA A 111
PHE A 117
PHE A 160
LEU A 173
None
1.21A 2nyrA-4gaoA:
undetectable
2nyrA-4gaoA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gqt HEAT SHOCK PROTEIN
90


(Caenorhabditis
elegans)
PF00183
(HSP90)
PF02518
(HATPase_c)
5 THR A 139
ALA A 129
PHE A 126
ILE A  79
LEU A 186
None
1.05A 2nyrA-4gqtA:
undetectable
2nyrA-4gqtA:
19.71
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.
4k1p NHEA

(Bacillus cereus)
PF05791
(Bacillus_HBL)
5 ALA A 189
THR A 192
ALA A  37
ILE A 252
LEU A 259
None
1.04A 2nyrA-4k1pA:
undetectable
2nyrA-4k1pA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qdi UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE


(Acinetobacter
baumannii)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
5 ALA A 407
ALA A 354
ALA A 353
ARG A 351
ILE A 371
None
0.98A 2nyrA-4qdiA:
3.5
2nyrA-4qdiA:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1


(Archaeoglobus
fulgidus)
PF02146
(SIR2)
5 ALA A  21
THR A  31
ALA A  48
TYR A  64
LEU A 163
None
1.03A 2nyrA-4twiA:
27.5
2nyrA-4twiA:
39.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1


(Archaeoglobus
fulgidus)
PF02146
(SIR2)
5 THR A  31
ALA A  48
TYR A  64
PHE A 159
LEU A 163
None
1.12A 2nyrA-4twiA:
27.5
2nyrA-4twiA:
39.57
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.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE


(Thermus
thermophilus)
PF00588
(SpoU_methylase)
5 ALA A 186
THR A 242
ALA A 130
ALA A 135
LEU A 176
ADN  A 301 ( 4.1A)
ADN  A 301 (-3.5A)
None
None
None
1.05A 2nyrA-4x3mA:
3.1
2nyrA-4x3mA:
22.79
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.
4x9l HEAT SHOCK PROTEIN

(Oryza sativa)
PF00183
(HSP90)
PF02518
(HATPase_c)
5 THR A 139
ALA A 129
PHE A 126
ILE A  79
LEU A 187
PG4  A 302 ( 4.2A)
None
None
None
None
1.12A 2nyrA-4x9lA:
undetectable
2nyrA-4x9lA:
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.
4xq7 2'-5'-OLIGOADENYLATE
SYNTHASE-LIKE
PROTEIN


(Homo sapiens)
PF10421
(OAS1_C)
5 ALA A 243
THR A 262
ALA A 326
ALA A 323
ILE A 273
None
1.13A 2nyrA-4xq7A:
undetectable
2nyrA-4xq7A:
20.53
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.
4xr9 CALS8

(Micromonospora
echinospora)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
5 ALA A  20
THR A  25
ALA A  32
ALA A  36
ILE A  92
None
0.95A 2nyrA-4xr9A:
4.1
2nyrA-4xr9A:
22.61
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001)
PF01425
(Amidase)
5 ALA A 168
THR A 197
ALA A  13
LEU A 127
TYR A 116
None
1.21A 2nyrA-4yjiA:
undetectable
2nyrA-4yjiA:
21.00
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.
4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM


(Bifidobacterium
animalis)
PF01547
(SBP_bac_1)
5 ALA A 312
THR A 228
ALA A 166
PHE A 307
MET A 196
None
1.21A 2nyrA-4zzeA:
undetectable
2nyrA-4zzeA:
20.61
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN


(Nanoarchaeum
equitans)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
5 ALA A 237
PHE A 356
TYR A 357
ILE A 376
LEU A 404
None
1.07A 2nyrA-5bn4A:
undetectable
2nyrA-5bn4A:
17.07
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR


(Acinetobacter
baumannii)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
5 ALA A 290
ALA A 201
ALA A 110
ILE A  95
PHE A 109
None
1.19A 2nyrA-5fp1A:
undetectable
2nyrA-5fp1A:
15.69
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE


(Sus scrofa)
PF00135
(COesterase)
5 ALA A 421
ALA A 219
ILE A 317
PHE A 223
TYR A 328
None
1.17A 2nyrA-5fv4A:
undetectable
2nyrA-5fv4A:
20.19
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE


(Rhodopseudomonas
palustris)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
5 ALA A 215
ALA A 405
ALA A 408
ILE A 191
LEU A 151
None
None
None
KCX  A 192 ( 3.8A)
None
1.11A 2nyrA-5hqlA:
undetectable
2nyrA-5hqlA:
20.82
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.
5i4k MANGANESE-BINDING
LIPOPROTEIN MNTA


(Listeria
monocytogenes)
PF01297
(ZnuA)
5 ALA A 284
ALA A 208
ILE A  41
PHE A 209
LEU A 145
None
MN  A 501 ( 4.6A)
None
None
None
1.00A 2nyrA-5i4kA:
undetectable
2nyrA-5i4kA:
22.78
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.
5ito NOPALINE-BINDING
PERIPLASMIC PROTEIN


(Agrobacterium
fabrum)
PF00497
(SBP_bac_3)
5 THR A 168
PHE A 108
ARG A 102
ILE A  80
LEU A  51
6DB  A 304 ( 4.1A)
None
6DB  A 304 (-2.8A)
None
None
1.21A 2nyrA-5itoA:
undetectable
2nyrA-5itoA:
18.47
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA


(Escherichia
coli)
PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD)
5 ALA A 136
THR A 130
ALA A 206
PHE A 381
TYR A 380
None
1.18A 2nyrA-5k9tA:
2.4
2nyrA-5k9tA:
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.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D


(Homo sapiens)
PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS)
5 THR B 298
ALA B 880
ILE B 302
LEU B 766
TYR B 318
None
1.19A 2nyrA-5kyuB:
3.2
2nyrA-5kyuB:
16.87
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.
5lp7 ACETYL-COA
ACETYLTRANSFERASE


(Bacillus
subtilis)
no annotation 5 ALA H 376
ALA H 353
PHE H  14
ARG H 357
LEU H 259
None
1.18A 2nyrA-5lp7H:
undetectable
2nyrA-5lp7H:
22.89
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 5 ALA A 779
ALA A 761
ALA A 763
ILE A 787
LEU A 846
None
1.18A 2nyrA-5nd1A:
undetectable
2nyrA-5nd1A:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v2m MEVALONATE
DIPHOSPHATE
DECARBOXYLASE


(Enterococcus
faecalis)
no annotation 5 ALA A 104
THR A  10
ALA A 150
ALA A 163
MET A 195
None
None
None
None
SO4  A 401 ( 4.4A)
1.12A 2nyrA-5v2mA:
undetectable
2nyrA-5v2mA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wkh T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN


(Homo sapiens)
PF07686
(V-set)
PF09291
(DUF1968)
5 ALA D 130
THR D 148
ALA D 186
ILE D 204
PHE D 193
None
1.13A 2nyrA-5wkhD:
undetectable
2nyrA-5wkhD:
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.
5wy3 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Chaetomium
thermophilum)
no annotation 5 ALA A 129
ALA A 121
TYR A 168
PHE A 239
LEU A 260
None
1.14A 2nyrA-5wy3A:
undetectable
2nyrA-5wy3A:
22.44
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C


(Paenibacillus
sp. A11-2)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2)
5 ALA A  81
ALA A 313
ALA A 317
ILE A 254
LEU A  57
None
1.20A 2nyrA-5xdeA:
undetectable
2nyrA-5xdeA:
22.35
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.
5xk2 DIACYLGLYCEROL
LIPASE


(Aspergillus
oryzae)
no annotation 5 ALA A 116
ALA A 180
ALA A 177
ILE A 192
LEU A 166
None
1.14A 2nyrA-5xk2A:
undetectable
2nyrA-5xk2A:
15.10
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum)
no annotation 5 THR A 738
ALA A 745
ALA A 811
PHE A 751
ILE A 797
None
1.13A 2nyrA-5xqoA:
undetectable
2nyrA-5xqoA:
13.26
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.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei)
no annotation 5 THR A 242
ALA A 237
ALA A 235
ILE A 228
LEU A 367
None
None
None
None
HEM  A 501 ( 4.2A)
1.12A 2nyrA-5ysmA:
undetectable
2nyrA-5ysmA:
17.71
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.
6bwy DU-EDITING ENZYME
APOBEC-3G FUSION
PROTECTION OF
TELOMERES PROTEIN 1,
DNA DC->


(Homo sapiens;
Schizosaccharomyces
pombe)
no annotation 5 ALA A 296
THR A 327
ALA A 321
ILE A 335
LEU A 220
None
1.20A 2nyrA-6bwyA:
undetectable
2nyrA-6bwyA:
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.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus)
no annotation 5 THR A 682
ALA A 756
ALA A 759
ILE A 677
PHE A 760
None
1.04A 2nyrA-6cv0A:
undetectable
2nyrA-6cv0A:
16.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL


(Danio rerio)
no annotation 6 ALA A  55
ALA A  78
ALA A  82
TYR A  98
PHE A 219
LEU A 223
BJW  A 303 (-3.5A)
None
BJW  A 303 ( 4.7A)
BJW  A 303 (-4.4A)
BJW  A 303 (-4.1A)
None
1.04A 2nyrA-6enxA:
34.5
2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL


(Danio rerio)
no annotation 6 ALA A  55
ALA A  82
TYR A  98
ILE A 138
PHE A 219
LEU A 223
BJW  A 303 (-3.5A)
BJW  A 303 ( 4.7A)
BJW  A 303 (-4.4A)
BJW  A 303 (-3.9A)
BJW  A 303 (-4.1A)
None
0.82A 2nyrA-6enxA:
34.5
2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL


(Danio rerio)
no annotation 5 ALA A  55
THR A  65
ALA A  82
TYR A  98
PHE A 219
BJW  A 303 (-3.5A)
BJW  A 303 (-4.0A)
BJW  A 303 ( 4.7A)
BJW  A 303 (-4.4A)
BJW  A 303 (-4.1A)
0.94A 2nyrA-6enxA:
34.5
2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL


(Danio rerio)
no annotation 6 ALA A  82
PHE A  97
TYR A  98
ILE A 138
PHE A 219
LEU A 223
BJW  A 303 ( 4.7A)
None
BJW  A 303 (-4.4A)
BJW  A 303 (-3.9A)
BJW  A 303 (-4.1A)
None
0.43A 2nyrA-6enxA:
34.5
2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL


(Danio rerio)
no annotation 5 THR A  65
ALA A  82
PHE A  97
TYR A  98
PHE A 219
BJW  A 303 (-4.0A)
BJW  A 303 ( 4.7A)
None
BJW  A 303 (-4.4A)
BJW  A 303 (-4.1A)
0.62A 2nyrA-6enxA:
34.5
2nyrA-6enxA:
74.91
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.
6eom MUTT/NUDIX FAMILY
PROTEIN


(Caldithrix
abyssi)
no annotation 5 THR A 231
ALA A 196
ALA A 192
ILE A 257
LEU A 554
CL  A 602 (-4.6A)
None
None
None
None
1.11A 2nyrA-6eomA:
undetectable
2nyrA-6eomA:
13.96