SIMILAR PATTERNS OF AMINO ACIDS FOR 3W9T_B_W9TB513

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.
1elk TARGET OF MYB1

(Homo sapiens) 		PF00790
(VHS) 		4 CYH A  77
THR A  76
ASN A  80
ILE A  39
 None
 1.47A 3w9tB-1elkA:
undetectable		 3w9tB-1elkA:
17.27
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.
1exz STEM CELL FACTOR

(Homo sapiens) 		PF02404
(SCF) 		4 THR A   9
ASN A  11
ASP A  14
ILE A  75
 None
 1.30A 3w9tB-1exzA:
0.0		 3w9tB-1exzA:
15.74
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.
1h1c HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		4 THR A 105
ASN A 148
ASP A 173
ILE A 197
 None
None
PLP  A1202 (-2.9A)
None
 1.26A 3w9tB-1h1cA:
0.0		 3w9tB-1h1cA:
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.
1hwp EBULIN

(Sambucus ebulus) 		PF00652
(Ricin_B_lectin) 		4 THR B 252
ASN B 254
ASP B 235
ILE B 247
 None
 1.44A 3w9tB-1hwpB:
16.1		 3w9tB-1hwpB:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		4 THR A 315
ASN A 316
CYH A 299
ILE A 339
 None
None
WCC  A 800 ( 4.4A)
None
 1.21A 3w9tB-1jqkA:
0.0		 3w9tB-1jqkA:
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.
1nzj HYPOTHETICAL PROTEIN
YADB

(Escherichia
coli) 		PF00749
(tRNA-synt_1c) 		4 CYH A 103
THR A 104
CYH A 101
ILE A 162
 ZN  A 700 (-2.3A)
None
ZN  A 700 (-2.3A)
None
 1.45A 3w9tB-1nzjA:
0.0		 3w9tB-1nzjA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgo ANAEROBIC COBALAMIN
BIOSYNTHETIC COBALT
CHELATASE

(Salmonella
enterica) 		PF06180
(CbiK) 		4 CYH A  18
THR A  17
ASN A  21
ILE A  47
 None
 1.26A 3w9tB-1qgoA:
0.0		 3w9tB-1qgoA:
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.
1sjr POLYPYRIMIDINE
TRACT-BINDING
PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		4 CYH A 114
THR A 115
ASN A 108
ILE A  66
 None
 1.47A 3w9tB-1sjrA:
0.0		 3w9tB-1sjrA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t9h PROBABLE GTPASE ENGC

(Bacillus
subtilis) 		PF03193
(RsgA_GTPase)
PF16745
(RsgA_N) 		4 THR A  67
CYH A  76
ASP A  46
ILE A  63
 None
 1.43A 3w9tB-1t9hA:
0.0		 3w9tB-1t9hA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1znm YY1

(Homo sapiens) 		no annotation 4 CYH A   4
THR A   5
CYH A   9
ILE A  25
 ZN  A  29 ( 2.3A)
None
ZN  A  29 ( 2.3A)
None
 1.49A 3w9tB-1znmA:
undetectable		 3w9tB-1znmA:
5.93
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.
2b0o UPLC1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		4 ASN E 499
CYH E 441
ASP E 443
ILE E 531
 None
ZN  E 698 (-2.3A)
None
None
 1.50A 3w9tB-2b0oE:
undetectable		 3w9tB-2b0oE:
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.
2b4v RNA EDITING COMPLEX
PROTEIN MP57

(Trypanosoma
brucei) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 CYH A 221
THR A 222
ASN A 202
ILE A 206
 None
 1.17A 3w9tB-2b4vA:
undetectable		 3w9tB-2b4vA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b71 CYCLOPHILIN-LIKE
PROTEIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		4 CYH A 165
THR A 164
ASN A 162
ILE A 141
 None
 1.37A 3w9tB-2b71A:
undetectable		 3w9tB-2b71A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bx6 XRP2 PROTEIN

(Homo sapiens) 		PF07986
(TBCC) 		4 THR A  87
ASN A  88
CYH A 108
ILE A  72
 None
 1.24A 3w9tB-2bx6A:
undetectable		 3w9tB-2bx6A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c2y METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE-METHEN
YLTETRAHYDROFOLATE
CYCLOHYDROLASE

(Mycobacterium
tuberculosis) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 CYH A 140
THR A 141
ASP A 120
ILE A  95
 None
 1.33A 3w9tB-2c2yA:
undetectable		 3w9tB-2c2yA:
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.
2dlg FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		4 ASN A  22
CYH A  58
ASP A  20
ILE A  18
 None
 1.17A 3w9tB-2dlgA:
undetectable		 3w9tB-2dlgA:
16.20
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.
2e7j SEP-TRNA:CYS-TRNA
SYNTHASE

(Archaeoglobus
fulgidus) 		PF05889
(SepSecS) 		4 CYH A 102
ASN A 183
ASP A  99
ILE A 130
 None
PLP  A1209 (-3.0A)
None
None
 1.39A 3w9tB-2e7jA:
undetectable		 3w9tB-2e7jA:
21.69
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.
2ecm RING FINGER AND CHY
ZINC FINGER
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF13639
(zf-RING_2) 		4 CYH A  35
THR A  34
CYH A  11
ILE A  15
 ZN  A 201 (-2.2A)
None
ZN  A 201 (-2.3A)
None
 1.47A 3w9tB-2ecmA:
undetectable		 3w9tB-2ecmA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gam BETA-1,6-N-ACETYLGLU
COSAMINYLTRANSFERASE

(Mus musculus) 		PF02485
(Branch) 		4 CYH A  59
THR A  60
CYH A 413
ILE A  70
 None
 1.26A 3w9tB-2gamA:
undetectable		 3w9tB-2gamA:
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.
2i5p GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Kluyveromyces
marxianus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR O  96
ASN O   6
ASP O  32
ILE O  34
 None
 1.23A 3w9tB-2i5pO:
undetectable		 3w9tB-2i5pO:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iqj STROMAL
MEMBRANE-ASSOCIATED
PROTEIN 1-LIKE

(Homo sapiens) 		PF01412
(ArfGap) 		4 ASN A  86
CYH A  28
ASP A  30
ILE A 114
 None
ZN  A 301 (-2.3A)
None
None
 1.49A 3w9tB-2iqjA:
undetectable		 3w9tB-2iqjA:
14.35
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.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		4 THR A1133
ASN A1134
CYH A1095
ILE A1116
 None
 0.91A 3w9tB-2ix8A:
undetectable		 3w9tB-2ix8A:
18.06
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.
2jnw DNA EXCISION REPAIR
PROTEIN ERCC-1

(Homo sapiens) 		PF03834
(Rad10) 		4 CYH A 194
THR A 195
CYH A 189
ILE A 153
 None
 1.36A 3w9tB-2jnwA:
undetectable		 3w9tB-2jnwA:
15.40
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.
2jpd DNA EXCISION REPAIR
PROTEIN ERCC-1

(Homo sapiens) 		PF03834
(Rad10) 		4 CYH A 194
THR A 195
CYH A 189
ILE A 153
 None
 1.49A 3w9tB-2jpdA:
undetectable		 3w9tB-2jpdA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lce B-CELL LYMPHOMA 6
PROTEIN

(Homo sapiens) 		PF00096
(zf-C2H2) 		4 CYH A  48
ASN A  49
CYH A  51
ILE A  67
 ZN  A 300 (-2.3A)
None
ZN  A 300 (-2.3A)
None
 1.47A 3w9tB-2lceA:
undetectable		 3w9tB-2lceA:
9.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m9y E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		4 CYH A 367
ASN A 366
CYH A 347
ILE A 351
 ZN  A 401 (-2.2A)
None
ZN  A 401 (-2.2A)
None
 1.20A 3w9tB-2m9yA:
undetectable		 3w9tB-2m9yA:
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.
2nmp CYSTATHIONINE
GAMMA-LYASE

(Homo sapiens) 		PF01053
(Cys_Met_Meta_PP) 		4 CYH A 229
ASN A 228
ASP A 204
ILE A 183
 None
 1.49A 3w9tB-2nmpA:
undetectable		 3w9tB-2nmpA:
19.08
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		4 CYH B2202
THR B2203
CYH B2343
ILE B2159
 ZN  B 102 (-2.4A)
None
ZN  B 102 (-2.4A)
None
 1.30A 3w9tB-2nvuB:
undetectable		 3w9tB-2nvuB:
19.21
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.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 CYH A  34
THR A 262
CYH A  60
ILE A  87
 None
 1.30A 3w9tB-2obvA:
undetectable		 3w9tB-2obvA:
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.
2oze ORF DELTA'

(Streptococcus
pyogenes) 		PF13614
(AAA_31) 		4 THR A 113
ASN A 115
ASP A 117
ILE A 109
 None
 1.44A 3w9tB-2ozeA:
undetectable		 3w9tB-2ozeA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 4 THR A 157
ASN A  84
CYH A 112
ILE A 129
 None
 1.46A 3w9tB-2q9uA:
undetectable		 3w9tB-2q9uA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rf7 CYTOCHROME C-552

(Escherichia
coli) 		PF02335
(Cytochrom_C552) 		4 CYH A 282
THR A 281
CYH A 209
ILE A 303
 HEC  A   4 (-1.6A)
None
HEC  A   3 (-1.6A)
HEC  A   3 (-4.3A)
 1.15A 3w9tB-2rf7A:
undetectable		 3w9tB-2rf7A:
20.38
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 CYH A 328
THR A 329
ASN A 327
ASP A 326
 None
None
None
ZN  A1494 (-2.7A)
 1.41A 3w9tB-2vr2A:
undetectable		 3w9tB-2vr2A:
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.
2ygk NURA

(Sulfolobus
solfataricus) 		PF09376
(NurA) 		4 CYH A  52
THR A  51
ASN A  83
ILE A  80
 None
 1.37A 3w9tB-2ygkA:
undetectable		 3w9tB-2ygkA:
20.50
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.
2yn0 TRANSCRIPTION FACTOR
TAU 55 KDA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		4 THR A 244
ASN A 243
ASP A 205
ILE A 197
 None
 1.26A 3w9tB-2yn0A:
undetectable		 3w9tB-2yn0A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn2 UNCHARACTERIZED
PROTEIN YNL108C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		4 THR A 231
ASN A 230
ASP A 204
ILE A 196
 None
 1.28A 3w9tB-2yn2A:
undetectable		 3w9tB-2yn2A:
20.50
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.
2zs0 EXTRACELLULAR GIANT
HEMOGLOBIN MAJOR
GLOBIN SUBUNIT B1

(Oligobrachia
mashikoi) 		PF00042
(Globin) 		4 THR D  80
ASN D  81
CYH D  85
ILE D  74
 None
 1.16A 3w9tB-2zs0D:
undetectable		 3w9tB-2zs0D:
16.13
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		4 ASN A 174
CYH A 170
ASP A 202
ILE A 231
 None
 1.43A 3w9tB-3asaA:
undetectable		 3w9tB-3asaA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1v GLUCOKINASE

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 CYH X 233
ASN X 254
CYH X 252
ILE X 211
 None
GLC  X 500 ( 4.6A)
None
TK1  X 501 (-4.3A)
 1.34A 3w9tB-3h1vX:
undetectable		 3w9tB-3h1vX:
20.77
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.
3j8v H16.14J LIGHT CHAIN

(Mus musculus) 		no annotation 4 CYH L  23
THR L  22
CYH L  88
ILE L  29
 None
 1.25A 3w9tB-3j8vL:
undetectable		 3w9tB-3j8vL:
14.01
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.
3l2p DNA LIGASE 3

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 CYH A 628
THR A 733
ASN A 734
ILE A 713
 None
 1.41A 3w9tB-3l2pA:
undetectable		 3w9tB-3l2pA:
20.50
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.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		4 THR A 119
ASN A 194
ASP A 141
ILE A 143
 TRP  A   1 (-3.7A)
TRP  A   1 (-3.5A)
None
None
 1.49A 3w9tB-3lftA:
undetectable		 3w9tB-3lftA:
21.74
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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		4 CYH A 415
THR A 416
ASN A 369
ILE A 366
 None
 1.14A 3w9tB-3nm1A:
undetectable		 3w9tB-3nm1A:
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.
3pym GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR A  97
ASN A   7
ASP A  33
ILE A  36
 NAD  A 333 (-4.2A)
NAD  A 333 (-3.6A)
NAD  A 333 (-2.9A)
None
 1.26A 3w9tB-3pymA:
undetectable		 3w9tB-3pymA:
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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 CYH A  65
THR A  64
ASP A 325
ILE A 328
 None
 1.26A 3w9tB-3qj4A:
undetectable		 3w9tB-3qj4A:
22.52
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.
3s69 THROMBIN-LIKE ENZYME
DEFIBRASE

(Gloydius
saxatilis) 		PF00089
(Trypsin) 		4 THR A  60
ASN A  59
ASP A  58
ILE A  88
 None
 1.10A 3w9tB-3s69A:
undetectable		 3w9tB-3s69A:
20.24
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.
3tqx 2-AMINO-3-KETOBUTYRA
TE COENZYME A LIGASE

(Coxiella
burnetii) 		PF00155
(Aminotran_1_2) 		4 CYH A 109
THR A 239
ASP A 208
ILE A 137
 PLP  A 397 (-3.6A)
PLP  A 397 (-3.4A)
PLP  A 397 (-2.9A)
None
 1.43A 3w9tB-3tqxA:
undetectable		 3w9tB-3tqxA:
21.30
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.
3w0l GLUCOKINASE

(Xenopus laevis) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 CYH A 226
ASN A 247
CYH A 245
ILE A 204
 None
 1.37A 3w9tB-3w0lA:
undetectable		 3w9tB-3w0lA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a2i PUTATIVE RIBOSOME
BIOGENESIS GTPASE
RSGA

(Salmonella
enterica) 		PF03193
(RsgA_GTPase) 		4 THR V 332
ASN V 336
ASP V 150
ILE V 149
 None
 1.16A 3w9tB-4a2iV:
undetectable		 3w9tB-4a2iV:
19.96
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.
4a5g ANIONIC PEROXIDASE

(Raphanus
sativus) 		PF00141
(peroxidase) 		4 THR A   7
ASN A   5
ASP A 122
ILE A 282
 NAG  A1310 ( 4.5A)
NAG  A1310 (-1.9A)
None
None
 1.42A 3w9tB-4a5gA:
undetectable		 3w9tB-4a5gA:
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.
4ag6 TYPE IV SECRETORY
PATHWAY VIRB4
COMPONENTS-LIKE
PROTEIN

(Thermoanaerobacter
pseudethanolicus) 		PF01935
(DUF87) 		4 CYH A 291
THR A 292
ASN A 290
ILE A 271
 None
None
SO4  A1590 (-3.3A)
None
 1.27A 3w9tB-4ag6A:
undetectable		 3w9tB-4ag6A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ba8 IG MU CHAIN C REGION
SECRETED FORM

(Mus musculus) 		PF07654
(C1-set) 		4 CYH A  85
THR A  86
CYH A  26
ILE A  53
 None
 1.25A 3w9tB-4ba8A:
undetectable		 3w9tB-4ba8A:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cdo THIOREDOXIN-LIKE
PROTEIN 4A,
POLYGLUTAMINE-BINDIN
G PROTEIN

(Homo sapiens) 		PF02966
(DIM1) 		4 CYH A  79
THR A  80
CYH A  38
ASP A  35
 None
 1.18A 3w9tB-4cdoA:
undetectable		 3w9tB-4cdoA:
15.21
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		4 CYH A 324
THR A 325
ASN A 323
ASP A 322
 MHA  A 601 ( 4.1A)
None
None
MHA  A 601 (-2.0A)
 1.41A 3w9tB-4gz7A:
undetectable		 3w9tB-4gz7A:
22.87
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.
4iru LEPB

(Legionella
pneumophila) 		no annotation 4 THR A 434
ASN A 375
ASP A 379
ILE A 383
 None
 1.27A 3w9tB-4iruA:
undetectable		 3w9tB-4iruA:
19.91
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.
4jw1 EFFECTOR PROTEIN B

(Legionella
pneumophila) 		no annotation 4 CYH A 385
THR A 384
ASN A 388
ILE A 517
 None
 1.42A 3w9tB-4jw1A:
undetectable		 3w9tB-4jw1A:
20.83
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.
4jw1 EFFECTOR PROTEIN B

(Legionella
pneumophila) 		no annotation 4 THR A 434
ASN A 375
ASP A 379
ILE A 383
 None
 1.37A 3w9tB-4jw1A:
undetectable		 3w9tB-4jw1A:
20.83
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.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR A 103
ASN A   9
ASP A  35
ILE A  38
 NAD  A 401 (-4.1A)
NAD  A 401 (-3.4A)
NAD  A 401 (-2.8A)
None
 1.44A 3w9tB-4k9dA:
undetectable		 3w9tB-4k9dA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kys THIAMINE
PYRIDINYLASE I

(Clostridium
botulinum) 		PF01547
(SBP_bac_1) 		4 THR A  40
ASN A  73
ASP A  89
ILE A 310
 None
 1.45A 3w9tB-4kysA:
undetectable		 3w9tB-4kysA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kys THIAMINE
PYRIDINYLASE I

(Clostridium
botulinum) 		PF01547
(SBP_bac_1) 		4 THR A 144
ASN A 145
ASP A 201
ILE A 204
 None
None
MG  A 503 (-3.2A)
None
 1.41A 3w9tB-4kysA:
undetectable		 3w9tB-4kysA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nat PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Staphylococcus
aureus) 		PF01467
(CTP_transf_like) 		4 THR A 123
ASN A 124
ASP A  21
ILE A  22
 None
 1.26A 3w9tB-4natA:
undetectable		 3w9tB-4natA:
15.62
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.
4nfz POLYMERASE PA

(Influenza A
virus) 		PF00603
(Flu_PA) 		4 CYH A  95
THR A  98
ASN A 100
ILE A  90
 None
 1.33A 3w9tB-4nfzA:
undetectable		 3w9tB-4nfzA:
18.54
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.
4o59 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Bos taurus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR O  96
ASN O   6
ASP O  32
ILE O  35
 NAD  O 401 (-4.2A)
NAD  O 401 (-3.5A)
NAD  O 401 (-2.7A)
None
 1.42A 3w9tB-4o59O:
undetectable		 3w9tB-4o59O:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4puf E3 UBIQUITIN-PROTEIN
LIGASE SLRP

(Salmonella
enterica) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 THR A 181
ASN A 179
CYH A 175
ILE A 197
 None
 1.41A 3w9tB-4pufA:
undetectable		 3w9tB-4pufA:
20.16
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.
4py4 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF00644
(PARP) 		4 CYH A1640
THR A1639
ASN A1720
ILE A1797
 None
 1.28A 3w9tB-4py4A:
undetectable		 3w9tB-4py4A:
17.97
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.
4q76 CYSTEINE DESULFURASE
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00266
(Aminotran_5) 		4 ASN A 190
CYH A 217
ASP A 215
ILE A 113
 LLP  A 241 ( 3.9A)
LLP  A 241 ( 3.2A)
LLP  A 241 ( 2.7A)
None
 1.40A 3w9tB-4q76A:
undetectable		 3w9tB-4q76A:
19.38
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.
4qr0 CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS2

(Streptococcus
pyogenes) 		PF09827
(CRISPR_Cas2) 		4 THR A  11
ASN A  10
ASP A  64
ILE A  59
 None
 1.28A 3w9tB-4qr0A:
undetectable		 3w9tB-4qr0A:
12.62
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.
4wep PUTATIVE
OSMOPROTECTANT
UPTAKE SYSTEM
SUBSTRATE-BINDING
PROTEIN OSMF

(Escherichia
coli) 		PF04069
(OpuAC) 		4 THR A  35
ASN A 280
ASP A 222
ILE A 203
 None
 1.43A 3w9tB-4wepA:
undetectable		 3w9tB-4wepA:
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.
4wrr PUTATIVE
DIACYLGLYCEROL
KINASE

(Bacillus
anthracis) 		PF00781
(DAGK_cat) 		4 CYH A  98
THR A  97
ASN A  99
ILE A 208
 None
 1.45A 3w9tB-4wrrA:
undetectable		 3w9tB-4wrrA:
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		4 THR B 158
CYH B 135
ASP B 144
ILE B  62
 None
 1.49A 3w9tB-4yg8B:
undetectable		 3w9tB-4yg8B:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0h GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
GAPC1, CYTOSOLIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR O  96
ASN O   6
ASP O  32
ILE O  35
 NAD  O 401 (-4.3A)
NAD  O 401 (-3.8A)
NAD  O 401 (-2.8A)
None
 1.33A 3w9tB-4z0hO:
undetectable		 3w9tB-4z0hO:
21.46
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.
5bth DECAPPING NUCLEASE
RAI1

(Candida
albicans) 		PF08652
(RAI1) 		4 CYH A 321
THR A 322
ASN A 320
ILE A 303
 None
 1.44A 3w9tB-5bthA:
undetectable		 3w9tB-5bthA:
21.44
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.
5c7i GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Mus musculus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR O 202
ASN O 113
ASP O 138
ILE O 141
 None
 1.45A 3w9tB-5c7iO:
undetectable		 3w9tB-5c7iO:
22.57
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.
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo sapiens) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR O 170
ASN O  81
ASP O 106
ILE O 109
 NAD  O 501 (-4.1A)
NAD  O 501 (-2.9A)
NAD  O 501 (-2.4A)
None
 1.41A 3w9tB-5c7oO:
undetectable		 3w9tB-5c7oO:
22.15
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.
5d86 PROBABLE SIDEROPHORE
BIOSYNTHESIS PROTEIN
SBNA

(Staphylococcus
aureus) 		PF00291
(PALP) 		4 CYH A  95
THR A  94
ASN A 115
ILE A 101
 None
 1.17A 3w9tB-5d86A:
undetectable		 3w9tB-5d86A:
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.
5day NAP1-RELATED PROTEIN
1

(Arabidopsis
thaliana) 		PF00956
(NAP) 		4 THR A 221
ASN A 218
ASP A 214
ILE A 210
 None
 1.43A 3w9tB-5dayA:
undetectable		 3w9tB-5dayA:
18.40
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.
5elh RING FINGER PROTEIN
UNKEMPT HOMOLOG

(Mus musculus) 		no annotation 4 CYH A 140
THR A 141
CYH A 147
ILE A 129
 ZN  A 203 (-2.4A)
None
ZN  A 203 (-2.3A)
None
 1.32A 3w9tB-5elhA:
undetectable		 3w9tB-5elhA:
15.22
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2

(Homo sapiens) 		no annotation 4 CYH I 297
THR I 296
ASN I 474
ILE I 377
 None
 1.40A 3w9tB-5furI:
undetectable		 3w9tB-5furI:
15.41
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 THR Y 262
ASN Y 179
ASP Y 177
ILE Y 259
 None
 1.28A 3w9tB-5gaiY:
undetectable		 3w9tB-5gaiY:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gja 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
OXIDASE 2

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 CYH A  63
THR A  62
ASP A 108
ILE A 106
 None
 1.24A 3w9tB-5gjaA:
undetectable		 3w9tB-5gjaA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jk7 PROTEIN VPRBP

(Homo sapiens) 		no annotation 4 CYH C1358
THR C1359
CYH C1099
ILE C1354
 None
 1.31A 3w9tB-5jk7C:
undetectable		 3w9tB-5jk7C:
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.
5m3h POLYMERASE ACIDIC
PROTEIN

(Influenza A
virus) 		PF00603
(Flu_PA) 		4 CYH A  95
THR A  98
ASN A 100
ILE A  90
 None
 1.43A 3w9tB-5m3hA:
undetectable		 3w9tB-5m3hA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		4 THR A 264
ASN A 266
ASP A 294
ILE A 316
 None
None
CA  A9002 ( 2.5A)
None
 1.21A 3w9tB-5n8pA:
undetectable		 3w9tB-5n8pA:
17.35
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		4 THR A 264
ASN A 266
ASP A 294
ILE A 316
 None
None
CA  A9002 ( 2.5A)
None
 1.21A 3w9tB-5n97A:
undetectable		 3w9tB-5n97A:
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.
5tdw SET
DOMAIN-CONTAINING
PROTEIN 3

(Saccharomyces
cerevisiae) 		PF00628
(PHD) 		4 CYH A   5
THR A   4
ASN A  10
ILE A  55
 ZN  A 101 (-2.3A)
None
None
None
 1.25A 3w9tB-5tdwA:
undetectable		 3w9tB-5tdwA:
10.86
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.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 4 CYH A  85
THR A  86
ASN A  68
ILE A  37
 None
 1.32A 3w9tB-6arrA:
undetectable		 3w9tB-6arrA:
11.59
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.
6bo6 -

(-) 		no annotation 4 THR A 312
ASN A 320
ASP A 327
ILE A 330
 None
 1.43A 3w9tB-6bo6A:
undetectable		 3w9tB-6bo6A:
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.
6c9b PLP-DEPENDENT
L-ARGININE
HYDROXYLASE MPPP

(Streptomyces
wadayamensis) 		no annotation 4 THR A 114
ASN A 159
ASP A 188
ILE A 216
 None
None
LLP  A 221 ( 2.8A)
None
 1.16A 3w9tB-6c9bA:
undetectable		 3w9tB-6c9bA:
10.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dfz GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Acropora
millepora) 		no annotation 4 THR A  97
ASN A   7
ASP A  33
ILE A  36
 NAD  A 401 (-4.1A)
NAD  A 401 (-3.7A)
NAD  A 401 (-3.0A)
None
 1.44A 3w9tB-6dfzA:
undetectable		 3w9tB-6dfzA:
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.
6dkh L-IDONATE
5-DEHYDROGENASE
(NAD(P)(+))

(Escherichia
coli) 		no annotation 4 CYH A 107
THR A 108
CYH A  93
ILE A 100
 ZN  A 401 (-2.3A)
None
ZN  A 401 (-2.3A)
None
 1.10A 3w9tB-6dkhA:
undetectable		 3w9tB-6dkhA:
14.56
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.
6f42 DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT RPAC1

(Saccharomyces
cerevisiae) 		no annotation 4 CYH C 140
THR C 141
ASN C 158
ILE C 202
 None
 1.28A 3w9tB-6f42C:
undetectable		 3w9tB-6f42C:
11.87
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.
6fao GLYCOSIDE HYDROLASE
FAMILY 6

(metagenome) 		no annotation 4 THR A 195
ASN A 223
ASP A 219
ILE A 260
 None
 1.45A 3w9tB-6faoA:
undetectable		 3w9tB-6faoA:
11.06