SIMILAR PATTERNS OF AMINO ACIDS FOR 1Z95_A_198A501_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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		5 LEU A 171
GLY A 170
VAL A 183
HIS A  98
ILE A 102
 None
 1.47A 1z95A-1a0dA:
0.0		 1z95A-1a0dA:
18.85
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.
1jhd SULFATE
ADENYLYLTRANSFERASE

(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 LEU A 229
GLN A 199
VAL A 226
ARG A 284
ILE A 238
 None
BR  A2008 (-4.0A)
None
None
None
 1.44A 1z95A-1jhdA:
0.0		 1z95A-1jhdA:
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		5 GLY A 170
GLN A 172
HIS A  63
THR A 116
ILE A 151
 SAM  A 501 (-3.3A)
SAM  A 501 (-3.0A)
None
None
None
 1.42A 1z95A-1oltA:
0.0		 1z95A-1oltA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 GLY A 158
GLN A 157
MET A  84
VAL A  82
MET A  81
 None
 1.48A 1z95A-1ryyA:
undetectable		 1z95A-1ryyA:
16.77
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		5 LEU A  22
GLY A  92
HIS A 235
THR A 226
ILE A 225
 None
 1.45A 1z95A-1tqhA:
0.0		 1z95A-1tqhA:
23.79
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		5 LEU A  22
GLY A  96
MET A 115
VAL A 113
THR A 226
 None
 1.19A 1z95A-1tqhA:
0.0		 1z95A-1tqhA:
23.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 LEU A 707
GLY A 708
GLN A 711
MET A 742
MET A 745
VAL A 746
MET A 749
ARG A 752
HIS A 874
THR A 877
MET A 895
ILE A 899
 BHM  A   1 ( 4.2A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.9A)
BHM  A   1 (-3.6A)
BHM  A   1 (-4.3A)
BHM  A   1 (-3.8A)
None
BHM  A   1 (-3.0A)
None
None
 0.40A 1z95A-2ax9A:
41.9		 1z95A-2ax9A:
99.59
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.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 5 LEU A 281
GLY A 280
VAL A 273
ARG A 363
THR A  95
 None
 1.05A 1z95A-2de2A:
0.0		 1z95A-2de2A:
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.
2e1d TRANSALDOLASE

(Mus musculus) 		PF00923
(TAL_FSA) 		5 LEU A 156
GLY A 153
THR A 231
MET A 166
ILE A 186
 None
 1.41A 1z95A-2e1dA:
0.0		 1z95A-2e1dA:
21.28
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.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE

(Pseudomonas sp.
C18) 		PF00903
(Glyoxalase) 		5 LEU A  10
GLY A  11
VAL A  56
HIS A  52
ILE A 127
 None
 1.41A 1z95A-2ei0A:
0.0		 1z95A-2ei0A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g8g CAPSID

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		5 LEU A 597
GLY A 598
MET A 603
VAL A 604
HIS A 628
 None
None
None
None
D5M  A  21 (-4.0A)
 1.47A 1z95A-2g8gA:
undetectable		 1z95A-2g8gA:
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.
2j8x URACIL-DNA
GLYCOSYLASE

(Human
gammaherpesvirus
4) 		PF03167
(UDG) 		5 LEU A 146
MET A 188
VAL A 186
HIS A 235
ILE A 118
 None
 1.34A 1z95A-2j8xA:
undetectable		 1z95A-2j8xA:
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.
2o0a S.CEREVISIAE
CHROMOSOME XVI
READING FRAME ORF
YPL253C

(Saccharomyces
cerevisiae) 		PF16796
(Microtub_bd) 		5 GLN A 384
MET A 382
VAL A 381
HIS A 453
THR A 451
 None
None
None
EDO  A 700 (-3.8A)
None
 1.45A 1z95A-2o0aA:
undetectable		 1z95A-2o0aA:
22.90
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.
2psy KALLIKREIN-5

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 155
GLY A 140
GLN A  30
VAL A 199
ILE A  17
 None
 1.29A 1z95A-2psyA:
undetectable		 1z95A-2psyA:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		6 LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
ILE A 227
 1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.8A)
None
 0.45A 1z95A-2q3yA:
37.0		 1z95A-2q3yA:
60.08
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 GLY A 482
GLN A 483
HIS A 439
THR A  42
ILE A 444
 None
 1.49A 1z95A-2vf8A:
undetectable		 1z95A-2vf8A:
14.80
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.
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) 		5 LEU A1876
GLY A1875
HIS A1530
THR A1624
ILE A1871
 None
 1.26A 1z95A-2vz9A:
undetectable		 1z95A-2vz9A:
7.22
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.
2y6e UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 4

(Homo sapiens) 		PF00443
(UCH) 		5 LEU A 301
GLY A 300
GLN A 298
THR A 327
ILE A 359
 None
 1.39A 1z95A-2y6eA:
undetectable		 1z95A-2y6eA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ceb D-AMINOACID
AMINOTRANSFERASE-LIK
E PLP-DEPENDENT
ENZYME

(Histophilus
somni) 		PF01063
(Aminotran_4) 		5 LEU A 154
GLY A 156
ARG A 106
THR A 148
ILE A 168
 LLP  A 102 ( 4.2A)
LLP  A 102 ( 3.3A)
LLP  A 102 (-3.1A)
None
None
 1.18A 1z95A-3cebA:
undetectable		 1z95A-3cebA:
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.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A  58
GLN A  59
ARG A  43
THR A 244
ILE A 276
 None
 1.39A 1z95A-3fhhA:
undetectable		 1z95A-3fhhA:
17.22
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 LEU L 274
GLY L 270
VAL S 415
HIS S 354
ILE S 433
 None
 1.42A 1z95A-3g9kL:
undetectable		 1z95A-3g9kL:
21.49
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.
3ilw DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF00521
(DNA_topoisoIV) 		5 GLN A 277
ARG A  98
THR A 496
MET A 253
ILE A 234
 None
GOL  A 501 (-4.5A)
None
None
None
 1.49A 1z95A-3ilwA:
undetectable		 1z95A-3ilwA:
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.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		5 LEU A  11
GLY A  36
HIS A 133
THR A   6
ILE A  42
 None
 1.10A 1z95A-3iq0A:
undetectable		 1z95A-3iq0A:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 718
MET A 756
MET A 759
VAL A 760
HIS A 888
ILE A 913
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.1A)
None
None
 1.39A 1z95A-3kbaA:
34.4		 1z95A-3kbaA:
54.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 LEU A 721
GLY A 722
GLN A 725
MET A 756
MET A 759
VAL A 760
ARG A 766
HIS A 888
ILE A 913
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
None
None
 0.70A 1z95A-3kbaA:
34.4		 1z95A-3kbaA:
54.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 721
GLY A 722
MET A 756
MET A 759
VAL A 760
ARG A 766
HIS A 888
MET A 909
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
None
None
 1.04A 1z95A-3kbaA:
34.4		 1z95A-3kbaA:
54.58
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.
3l06 N-ACETYLORNITHINE
CARBAMOYLTRANSFERASE

(Xanthomonas
campestris) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A  58
GLY A  59
GLN A  62
MET A 330
ILE A 329
 None
 1.19A 1z95A-3l06A:
undetectable		 1z95A-3l06A:
23.78
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 GLY A 429
MET A 487
VAL A 765
THR A 426
ILE A 404
 None
 1.31A 1z95A-3la4A:
undetectable		 1z95A-3la4A:
14.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		7 LEU A  35
GLY A  36
GLN A  39
MET A  70
MET A  73
ARG A  80
ILE A 227
 1CA  A 249 ( 4.4A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 (-3.5A)
None
 0.59A 1z95A-3ry9A:
36.4		 1z95A-3ry9A:
54.84
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A 916
MET A 834
VAL A 895
MET A 934
ILE A 937
 GOL  A1904 (-4.5A)
None
None
GOL  A1905 (-4.1A)
None
 1.13A 1z95A-3va7A:
undetectable		 1z95A-3va7A:
11.16
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.
3w3a V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 GLY D 426
GLN D 427
ARG D 210
THR D 137
ILE D 423
 None
 1.40A 1z95A-3w3aD:
undetectable		 1z95A-3w3aD:
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 LEU A  28
GLY A 200
GLN A  29
HIS A 204
ILE A 195
 None
 1.47A 1z95A-4ad9A:
undetectable		 1z95A-4ad9A:
22.41
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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 5 LEU A 439
GLY A 440
VAL A 457
HIS A 630
ILE A 632
 None
 1.32A 1z95A-4btgA:
undetectable		 1z95A-4btgA:
15.33
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A  83
GLY A  82
VAL A  79
ARG A 101
THR A 169
 None
 1.45A 1z95A-4c23A:
undetectable		 1z95A-4c23A:
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.
4f62 GERANYLTRANSTRANSFER
ASE

(Marinomonas sp.
MED121) 		PF00348
(polyprenyl_synt) 		5 LEU A 214
GLY A 213
MET A 174
HIS A  76
ILE A  46
 None
None
None
GOL  A 402 (-4.4A)
GOL  A 402 (-4.3A)
 1.38A 1z95A-4f62A:
undetectable		 1z95A-4f62A:
22.16
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 LEU A 146
GLN A  55
VAL A 208
THR A 130
ILE A 129
 None
 1.20A 1z95A-4f7aA:
undetectable		 1z95A-4f7aA:
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 GLY A 422
VAL A 454
ARG A 376
HIS A 442
ILE A 440
 None
 1.47A 1z95A-4fddA:
undetectable		 1z95A-4fddA:
14.55
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 GLY B 429
MET B 487
VAL B 765
THR B 426
ILE B 404
 None
 1.31A 1z95A-4g7eB:
undetectable		 1z95A-4g7eB:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6n AMINODEOXYCHORISMATE
LYASE

(Saccharomyces
cerevisiae) 		PF01063
(Aminotran_4) 		5 LEU A 326
GLY A 328
ARG A 255
THR A 318
ILE A 340
 PLP  A 500 (-4.1A)
PLP  A 500 (-3.4A)
PLP  A 500 (-3.0A)
None
None
 1.24A 1z95A-4k6nA:
undetectable		 1z95A-4k6nA:
20.92
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 219
GLY A 216
MET A 277
VAL A 281
HIS A 145
 None
 1.04A 1z95A-4l52A:
undetectable		 1z95A-4l52A:
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.
4llf CAPSID PROTEIN

(Cucumber
necrosis virus) 		PF00729
(Viral_coat) 		5 LEU A 159
GLY A 244
VAL A 102
THR A 202
ILE A 196
 None
 1.42A 1z95A-4llfA:
undetectable		 1z95A-4llfA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		5 LEU A 398
GLY A 397
MET A 465
VAL A 463
HIS A 356
 None
 1.29A 1z95A-4n78A:
undetectable		 1z95A-4n78A:
11.04
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.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 321
GLN A 328
VAL A 493
THR A 471
ILE A 473
 None
 1.47A 1z95A-4ny4A:
undetectable		 1z95A-4ny4A:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLY A 568
GLN A 570
MET A 604
ARG A 611
ILE A 757
 None
MOF  A 801 (-2.9A)
None
MOF  A 801 (-4.2A)
None
 1.22A 1z95A-4p6wA:
32.4		 1z95A-4p6wA:
50.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 566
GLY A 567
GLN A 570
MET A 601
MET A 604
ARG A 611
ILE A 757
 MOF  A 801 ( 4.6A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
None
MOF  A 801 (-4.2A)
None
 0.85A 1z95A-4p6wA:
32.4		 1z95A-4p6wA:
50.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 772
GLN A 776
MET A 807
ARG A 817
ILE A 964
 CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
None
 0.67A 1z95A-4udbA:
33.4		 1z95A-4udbA:
48.34
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.
4wut ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		5 GLY A  61
GLN A  60
MET A  74
VAL A  75
ARG A  81
 None
 1.38A 1z95A-4wutA:
undetectable		 1z95A-4wutA:
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.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 5 LEU A 290
GLY A 291
HIS A 120
THR A 116
ILE A 115
 None
None
ZN  A 401 ( 3.3A)
ST9  A 403 (-4.2A)
ST9  A 403 (-4.1A)
 1.39A 1z95A-4zyoA:
undetectable		 1z95A-4zyoA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey5 LBCA-B
LBCATS-A

(synthetic
construct) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		5 GLY B 289
GLN B 285
VAL B 275
THR A 101
ILE A  52
 None
 1.36A 1z95A-5ey5B:
undetectable		 1z95A-5ey5B:
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A 536
GLY A 501
VAL A 497
THR A 562
ILE A 591
 None
 1.40A 1z95A-5fg3A:
undetectable		 1z95A-5fg3A:
17.80
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A 916
MET A 834
VAL A 895
MET A 934
ILE A 937
 None
 1.14A 1z95A-5i8iA:
undetectable		 1z95A-5i8iA:
8.58
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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 LEU A 274
GLY A 192
MET A 265
THR A 195
ILE A 204
 None
 1.43A 1z95A-5jfmA:
undetectable		 1z95A-5jfmA:
19.43
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.
5muf SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PGAM5, MITOCHONDRIAL

(Homo sapiens) 		PF00300
(His_Phos_1) 		5 LEU A 123
GLY A 124
HIS A 163
THR A 131
ILE A 160
 None
 1.46A 1z95A-5mufA:
undetectable		 1z95A-5mufA:
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 772
GLN A 776
MET A 807
ARG A 817
ILE A 964
 ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
None
 0.64A 1z95A-5mwpA:
36.9		 1z95A-5mwpA:
18.18
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.
5nop ATTACHMENT
GLYCOPROTEIN

(Mojiang
henipavirus) 		PF00423
(HN) 		5 LEU A 368
GLY A 367
VAL A 400
THR A 431
MET A 365
 None
 1.34A 1z95A-5nopA:
undetectable		 1z95A-5nopA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.71A 1z95A-5uc1A:
22.6		 1z95A-5uc1A:
29.63
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.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 LEU A 562
GLY A 563
GLN A 566
MET A 600
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
 0.76A 1z95A-5uc1A:
22.6		 1z95A-5uc1A:
29.63
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		5 GLY 3 468
MET 3 462
VAL 3 489
MET 3 490
THR 3 432
 None
 1.47A 1z95A-5udb3:
undetectable		 1z95A-5udb3:
13.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		6 GLY A  37
GLN A  39
MET A  70
MET A  73
ARG A  80
ILE A 226
 None
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
None
 1.08A 1z95A-5ufsA:
34.5		 1z95A-5ufsA:
55.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		7 LEU A  35
GLY A  36
GLN A  39
MET A  70
MET A  73
ARG A  80
ILE A 226
 1TA  A 301 ( 3.6A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
None
 0.83A 1z95A-5ufsA:
34.5		 1z95A-5ufsA:
55.47
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A 523
MET A 521
THR A 527
MET A 537
ILE A 553
 None
 1.27A 1z95A-5vncA:
undetectable		 1z95A-5vncA:
16.74
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.
5wb0 FUSION GLYCOPROTEIN
F0

(Human
metapneumovirus) 		no annotation 5 LEU F 221
GLY F 257
VAL F 251
THR F  45
ILE F 124
 None
 1.40A 1z95A-5wb0F:
undetectable		 1z95A-5wb0F:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6a91 -

(-) 		no annotation 5 LEU A 698
GLY A 728
VAL A 644
MET A 645
ILE A 411
 None
 1.05A 1z95A-6a91A:
undetectable		 1z95A-6a91A:
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.
6bzg PROTEIN ZIP2
SPORULATION-SPECIFIC
PROTEIN 16

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B 654
GLY B 655
MET A 151
VAL A 149
THR B 689
 None
 1.30A 1z95A-6bzgB:
undetectable		 1z95A-6bzgB:
14.86
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 LEU A  22
GLY A 408
VAL A  52
MET A  53
HIS A 450
 None
 1.40A 1z95A-6c7sA:
undetectable		 1z95A-6c7sA:
15.42
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL
ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 5 LEU D 294
GLY D 295
VAL A 289
THR A  37
ILE A  87
 None
 1.50A 1z95A-6f5dD:
undetectable		 1z95A-6f5dD:
15.77
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 5 LEU M 238
GLY M 239
MET M 294
MET M 243
ILE M 301
 None
 1.48A 1z95A-6g2jM:
undetectable		 1z95A-6g2jM:
17.97