SIMILAR PATTERNS OF AMINO ACIDS FOR 2XZ5_D_ACHD1211_0

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.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		4 GLN B1574
GLN B1551
ASP B1545
SER B1547
 None
None
None
CYG  B1769 (-3.2A)
 1.23A 2xz5C-1a9xB:
0.0
2xz5D-1a9xB:
0.0		 2xz5C-1a9xB:
19.74
2xz5D-1a9xB:
19.74
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.
1aec ACTINIDIN

(Actinidia
chinensis) 		PF00112
(Peptidase_C1) 		4 THR A  33
GLN A 131
SER A  29
SER A 213
 None
 1.03A 2xz5C-1aecA:
undetectable
2xz5D-1aecA:
undetectable		 2xz5C-1aecA:
21.43
2xz5D-1aecA:
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.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 THR A 367
GLN A 430
ASP A 347
SER A 364
 None
 1.24A 2xz5C-1cb8A:
0.0
2xz5D-1cb8A:
0.0		 2xz5C-1cb8A:
16.79
2xz5D-1cb8A:
16.79
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLN A 371
SER A 315
TYR A 414
SER A 239
 None
 1.27A 2xz5C-1e8tA:
0.0
2xz5D-1e8tA:
0.0		 2xz5C-1e8tA:
17.84
2xz5D-1e8tA:
17.84
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.
1ff3 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Escherichia
coli) 		PF01625
(PMSR) 		4 THR A  90
GLN A 133
SER A  87
CYH A  86
 None
 1.14A 2xz5C-1ff3A:
0.0
2xz5D-1ff3A:
0.0		 2xz5C-1ff3A:
22.65
2xz5D-1ff3A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fvg PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Bos taurus) 		PF01625
(PMSR) 		4 THR A 111
GLN A 154
SER A 108
CYH A 107
 None
 1.03A 2xz5C-1fvgA:
0.0
2xz5D-1fvgA:
0.0		 2xz5C-1fvgA:
22.67
2xz5D-1fvgA:
22.67
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 THR A 294
GLN A 320
ASP A 293
SER A 663
 None
 1.18A 2xz5C-1kcwA:
0.0
2xz5D-1kcwA:
1.1		 2xz5C-1kcwA:
12.11
2xz5D-1kcwA:
12.11
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.
1m0v PROTEIN-TYROSINE
PHOSPHATASE YOPH

(Yersinia
pseudotuberculosis) 		PF09013
(YopH_N) 		4 THR A 109
GLN A 107
ASP A 112
SER A  79
 None
 1.20A 2xz5C-1m0vA:
undetectable
2xz5D-1m0vA:
undetectable		 2xz5C-1m0vA:
22.27
2xz5D-1m0vA:
22.27
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.
1n3y INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA) 		4 GLN A 202
ASP A 240
TYR A 208
SER A 142
 None
 0.88A 2xz5C-1n3yA:
0.0
2xz5D-1n3yA:
0.0		 2xz5C-1n3yA:
21.63
2xz5D-1n3yA:
21.63
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.
1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 THR A 667
GLN A 669
ASP A 689
SER A 687
 None
 0.94A 2xz5C-1nugA:
3.4
2xz5D-1nugA:
3.5		 2xz5C-1nugA:
18.10
2xz5D-1nugA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		4 THR A 195
GLN A 197
ASP A 192
TYR A 121
 None
 1.10A 2xz5C-1pn3A:
undetectable
2xz5D-1pn3A:
undetectable		 2xz5C-1pn3A:
21.61
2xz5D-1pn3A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5w MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG

(Homo sapiens) 		PF08423
(Rad51) 		4 THR A 267
GLN A 269
ASP A 223
SER A 136
 None
 1.10A 2xz5C-1v5wA:
undetectable
2xz5D-1v5wA:
undetectable		 2xz5C-1v5wA:
20.00
2xz5D-1v5wA:
20.00
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.
1y8q UBIQUITIN-LIKE 2
ACTIVATING ENZYME
E1B

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL)
PF16195
(UBA2_C) 		4 GLN B 524
GLN B 465
ASP B 479
SER B 493
 None
 1.25A 2xz5C-1y8qB:
undetectable
2xz5D-1y8qB:
undetectable		 2xz5C-1y8qB:
15.16
2xz5D-1y8qB:
15.16
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.
1ydg TRP REPRESSOR
BINDING PROTEIN WRBA

(Deinococcus
radiodurans) 		PF03358
(FMN_red) 		4 GLN A 129
ASP A 180
SER A 183
TYR A 152
 None
 1.12A 2xz5C-1ydgA:
undetectable
2xz5D-1ydgA:
undetectable		 2xz5C-1ydgA:
21.79
2xz5D-1ydgA:
21.79
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 THR A 221
GLN A 218
SER A 228
TYR A 121
 None
 1.17A 2xz5C-2gahA:
undetectable
2xz5D-2gahA:
undetectable		 2xz5C-2gahA:
12.07
2xz5D-2gahA:
12.07
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.
2ill TITIN

(Homo sapiens) 		PF07679
(I-set) 		4 THR A  68
GLN A  17
ASP A  71
SER A  66
 None
 0.81A 2xz5C-2illA:
undetectable
2xz5D-2illA:
undetectable		 2xz5C-2illA:
19.82
2xz5D-2illA:
19.82
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.
2iv8 AP-2 COMPLEX SUBUNIT
BETA-1

(Homo sapiens) 		PF02883
(Alpha_adaptinC2)
PF09066
(B2-adapt-app_C) 		4 THR A 913
GLN A 906
SER A 915
TYR A 888
 None
 1.12A 2xz5C-2iv8A:
undetectable
2xz5D-2iv8A:
undetectable		 2xz5C-2iv8A:
22.85
2xz5D-2iv8A:
22.85
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.
2l90 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Mus musculus) 		PF01625
(PMSR) 		4 THR A 111
GLN A 154
SER A 108
CYH A 107
 None
 1.22A 2xz5C-2l90A:
undetectable
2xz5D-2l90A:
undetectable		 2xz5C-2l90A:
21.79
2xz5D-2l90A:
21.79
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		4 GLN A 562
GLN A 668
ASP A 296
TYR A 609
 None
 1.27A 2xz5C-2o36A:
undetectable
2xz5D-2o36A:
undetectable		 2xz5C-2o36A:
15.70
2xz5D-2o36A:
15.70
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.
2ou3 TELLURITE RESISTANCE
PROTEIN OF COG3793

(Nostoc
punctiforme) 		PF05099
(TerB) 		4 THR A  24
GLN A  21
ASP A  27
SER A  86
 None
None
I3A  A 163 ( 4.7A)
None
 1.17A 2xz5C-2ou3A:
undetectable
2xz5D-2ou3A:
undetectable		 2xz5C-2ou3A:
21.26
2xz5D-2ou3A:
21.26
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.
2rbi RIBONUCLEASE

(Bacillus
intermedius) 		PF00545
(Ribonuclease) 		4 THR A  25
GLN A  28
ASP A  53
SER A  27
 None
 1.21A 2xz5C-2rbiA:
undetectable
2xz5D-2rbiA:
undetectable		 2xz5C-2rbiA:
19.81
2xz5D-2rbiA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vut NITROGEN METABOLITE
REPRESSION REGULATOR
NMRA

(Aspergillus
nidulans) 		PF05368
(NmrA) 		4 GLN A  84
GLN A  17
SER A  83
TYR A 258
 NAD  A1353 (-3.8A)
NAD  A1353 (-4.4A)
None
None
 1.12A 2xz5C-2vutA:
undetectable
2xz5D-2vutA:
undetectable		 2xz5C-2vutA:
19.66
2xz5D-2vutA:
19.66
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.
2wv0 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR YVOA

(Bacillus
subtilis) 		PF00392
(GntR)
PF07702
(UTRA) 		4 THR A  87
ASP A  92
TYR A 238
SER A  95
 None
 1.18A 2xz5C-2wv0A:
undetectable
2xz5D-2wv0A:
undetectable		 2xz5C-2wv0A:
19.92
2xz5D-2wv0A:
19.92
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 GLN A 258
ASP A 261
TYR A 268
SER A 210
 None
CA  A1447 (-4.4A)
None
CA  A1447 (-2.5A)
 1.18A 2xz5C-2xfgA:
undetectable
2xz5D-2xfgA:
undetectable		 2xz5C-2xfgA:
19.48
2xz5D-2xfgA:
19.48
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.
2xrc HUMAN COMPLEMENT
FACTOR I

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00089
(Trypsin)
PF00530
(SRCR) 		4 GLN A 143
ASP A 231
TYR A 216
SER A 233
 None
 1.25A 2xz5C-2xrcA:
undetectable
2xz5D-2xrcA:
undetectable		 2xz5C-2xrcA:
17.68
2xz5D-2xrcA:
17.68
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.
2y5w KINESIN HEAVY CHAIN

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		4 THR A 323
SER A 242
SER A  96
CYH A 309
 None
None
ADP  A 600 (-3.8A)
None
 1.24A 2xz5C-2y5wA:
undetectable
2xz5D-2y5wA:
undetectable		 2xz5C-2y5wA:
21.08
2xz5D-2y5wA:
21.08
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.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli) 		PF00535
(Glycos_transf_2) 		4 ASP A 474
TYR A 483
SER A 444
CYH A 443
 None
 1.15A 2xz5C-2z87A:
undetectable
2xz5D-2z87A:
undetectable		 2xz5C-2z87A:
16.75
2xz5D-2z87A:
16.75
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.
3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Cytophaga
hutchinsonii) 		PF03009
(GDPD) 		4 THR A 171
GLN A 173
GLN A 131
SER A 193
 None
CIT  A 272 ( 4.5A)
EDO  A 285 (-3.0A)
None
 0.83A 2xz5C-3ch0A:
undetectable
2xz5D-3ch0A:
undetectable		 2xz5C-3ch0A:
22.86
2xz5D-3ch0A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d4u CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		4 THR A 239
GLN A 200
TYR A 198
SER A 246
 None
 1.22A 2xz5C-3d4uA:
undetectable
2xz5D-3d4uA:
undetectable		 2xz5C-3d4uA:
20.75
2xz5D-3d4uA:
20.75
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.
3dpr PROTEIN VP3

(Rhinovirus A) 		PF00073
(Rhv) 		4 ASP C  50
SER C 213
SER C 116
CYH C 210
 None
 1.20A 2xz5C-3dprC:
undetectable
2xz5D-3dprC:
undetectable		 2xz5C-3dprC:
22.98
2xz5D-3dprC:
22.98
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.
3e3r CALCYPHOSIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 THR A 114
GLN A 156
ASP A 117
SER A 108
 CA  A 196 ( 4.7A)
None
CA  A 196 (-2.4A)
CA  A 196 (-2.5A)
 1.03A 2xz5C-3e3rA:
undetectable
2xz5D-3e3rA:
undetectable		 2xz5C-3e3rA:
19.67
2xz5D-3e3rA:
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.
3fd0 PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
innocua) 		PF06838
(Met_gamma_lyase) 		4 GLN A  81
ASP A  57
TYR A  67
SER A 265
 None
 1.27A 2xz5C-3fd0A:
undetectable
2xz5D-3fd0A:
undetectable		 2xz5C-3fd0A:
21.19
2xz5D-3fd0A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 GLN A 382
GLN A 190
ASP A 374
SER A 221
 None
 1.23A 2xz5C-3gcwA:
undetectable
2xz5D-3gcwA:
undetectable		 2xz5C-3gcwA:
15.80
2xz5D-3gcwA:
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.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE

(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 THR A 195
GLN A 197
ASP A 192
SER A 131
TYR A 173
 None
 1.39A 2xz5C-3h4iA:
undetectable
2xz5D-3h4iA:
undetectable		 2xz5C-3h4iA:
20.39
2xz5D-3h4iA:
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.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE

(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		4 THR A 195
GLN A 197
ASP A 192
TYR A 121
 None
 1.13A 2xz5C-3h4iA:
undetectable
2xz5D-3h4iA:
undetectable		 2xz5C-3h4iA:
20.39
2xz5D-3h4iA:
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		4 GLN A 130
ASP A 174
TYR A  94
CYH A 171
 None
 1.17A 2xz5C-3h6eA:
undetectable
2xz5D-3h6eA:
undetectable		 2xz5C-3h6eA:
19.51
2xz5D-3h6eA:
19.51
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		4 GLN A 130
ASP A 174
TYR A  94
SER A 118
 None
 1.10A 2xz5C-3h6eA:
undetectable
2xz5D-3h6eA:
undetectable		 2xz5C-3h6eA:
19.51
2xz5D-3h6eA:
19.51
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.
3k49 MRNA-BINDING PROTEIN
PUF3

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		4 GLN A 665
TYR A 695
SER A 619
CYH A 625
 A  B   7 ( 3.0A)
A  B   8 ( 4.9A)
None
A  B   8 ( 3.6A)
 1.23A 2xz5C-3k49A:
undetectable
2xz5D-3k49A:
undetectable		 2xz5C-3k49A:
18.77
2xz5D-3k49A:
18.77
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.
3nv0 NUCLEAR RNA EXPORT
FACTOR 2
NTF2-RELATED EXPORT
PROTEIN

(Caenorhabditis
elegans;
Caenorhabditis
elegans) 		no annotation
PF02136
(NTF2) 		4 GLN B  81
GLN A 285
ASP B  13
SER A 294
 None
None
PEG  A1001 (-2.8A)
PEG  A1001 ( 2.8A)
 1.07A 2xz5C-3nv0B:
undetectable
2xz5D-3nv0B:
undetectable		 2xz5C-3nv0B:
23.04
2xz5D-3nv0B:
23.04
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.
3o6n APL1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 THR A 478
ASP A 459
SER A 436
TYR A 411
 NAG  A1004 ( 4.5A)
None
None
None
 1.21A 2xz5C-3o6nA:
undetectable
2xz5D-3o6nA:
undetectable		 2xz5C-3o6nA:
21.19
2xz5D-3o6nA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oja ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1

(Anopheles
gambiae) 		PF13855
(LRR_8) 		4 THR B 478
ASP B 459
SER B 436
TYR B 411
 None
 1.22A 2xz5C-3ojaB:
undetectable
2xz5D-3ojaB:
undetectable		 2xz5C-3ojaB:
16.01
2xz5D-3ojaB:
16.01
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.
3osl CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		4 THR A 354
GLN A 314
TYR A 312
SER A 361
 None
 1.22A 2xz5C-3oslA:
undetectable
2xz5D-3oslA:
undetectable		 2xz5C-3oslA:
18.72
2xz5D-3oslA:
18.72
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.
3r6n DESMOPLAKIN

(Homo sapiens) 		no annotation 4 THR A 613
GLN A 609
ASP A 614
SER A 610
 None
 1.19A 2xz5C-3r6nA:
undetectable
2xz5D-3r6nA:
undetectable		 2xz5C-3r6nA:
17.87
2xz5D-3r6nA:
17.87
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		4 GLN A 401
ASP A 394
TYR A  40
SER A 391
 None
 1.17A 2xz5C-3v39A:
undetectable
2xz5D-3v39A:
undetectable		 2xz5C-3v39A:
18.69
2xz5D-3v39A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsz RICIN B LECTIN

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43)
PF14200
(RicinB_lectin_2) 		4 GLN A 393
GLN A 430
ASP A 369
SER A 389
 None
 1.18A 2xz5C-3vszA:
undetectable
2xz5D-3vszA:
undetectable		 2xz5C-3vszA:
16.57
2xz5D-3vszA:
16.57
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.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		4 GLN A 236
GLN A 248
ASP A 293
SER A 242
 EPE  A 501 ( 4.3A)
None
None
None
 1.22A 2xz5C-3wiwA:
undetectable
2xz5D-3wiwA:
undetectable		 2xz5C-3wiwA:
19.63
2xz5D-3wiwA:
19.63
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		4 GLN A 219
ASP A 572
TYR A 148
SER A 152
 None
 0.82A 2xz5C-3wnpA:
undetectable
2xz5D-3wnpA:
undetectable		 2xz5C-3wnpA:
15.98
2xz5D-3wnpA:
15.98
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.
3zt9 SERINE PHOSPHATASE

(Moorella
thermoacetica) 		PF07228
(SpoIIE) 		4 ASP A  38
SER A 149
TYR A   9
CYH A  19
 MN  A1195 ( 2.6A)
None
None
None
 1.24A 2xz5C-3zt9A:
undetectable
2xz5D-3zt9A:
undetectable		 2xz5C-3zt9A:
19.69
2xz5D-3zt9A:
19.69
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.
4a14 KINESIN-LIKE PROTEIN
KIF7

(Homo sapiens) 		PF00225
(Kinesin) 		4 THR A 336
SER A 253
SER A  95
CYH A 322
 None
None
ADP  A1345 (-3.5A)
None
 1.23A 2xz5C-4a14A:
undetectable
2xz5D-4a14A:
undetectable		 2xz5C-4a14A:
17.85
2xz5D-4a14A:
17.85
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.
4aay AROB

(Rhizobium sp.
NT-26) 		PF00355
(Rieske) 		4 GLN B 143
TYR B 168
SER B 126
CYH B 121
 None
None
FES  B2006 (-2.9A)
FES  B2006 (-2.2A)
 1.20A 2xz5C-4aayB:
undetectable
2xz5D-4aayB:
undetectable		 2xz5C-4aayB:
19.63
2xz5D-4aayB:
19.63
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.
4aio LIMIT DEXTRINASE

(Hordeum vulgare) 		PF02922
(CBM_48)
PF11852
(DUF3372) 		4 GLN A 678
SER A 250
TYR A 506
SER A 774
 None
 1.25A 2xz5C-4aioA:
undetectable
2xz5D-4aioA:
undetectable		 2xz5C-4aioA:
12.95
2xz5D-4aioA:
12.95
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.
4dte SERPIN PEPTIDASE
INHIBITOR, CLADE E
(NEXIN, PLASMINOGEN
ACTIVATOR INHIBITOR
TYPE 1), MEMBER 1

(Danio rerio) 		PF00079
(Serpin) 		4 GLN A 120
GLN A 115
ASP A  92
SER A 119
 None
 1.25A 2xz5C-4dteA:
undetectable
2xz5D-4dteA:
undetectable		 2xz5C-4dteA:
20.75
2xz5D-4dteA:
20.75
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.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 THR A 357
ASP A 383
SER A 381
TYR A 361
 None
 1.11A 2xz5C-4epaA:
undetectable
2xz5D-4epaA:
undetectable		 2xz5C-4epaA:
16.49
2xz5D-4epaA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fl0 AMINOTRANSFERASE
ALD1

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		4 GLN A 162
TYR A 378
SER A 220
CYH A 219
 None
None
None
PLP  A 501 (-3.6A)
 0.91A 2xz5C-4fl0A:
undetectable
2xz5D-4fl0A:
undetectable		 2xz5C-4fl0A:
18.98
2xz5D-4fl0A:
18.98
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.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 GLN A 113
ASP A 116
TYR A 237
SER A 127
 None
 1.27A 2xz5C-4hxxA:
undetectable
2xz5D-4hxxA:
undetectable		 2xz5C-4hxxA:
21.74
2xz5D-4hxxA:
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.
4iu6 METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 GLN A 113
ASP A 116
TYR A 237
SER A 127
 None
 1.24A 2xz5C-4iu6A:
undetectable
2xz5D-4iu6A:
undetectable		 2xz5C-4iu6A:
17.92
2xz5D-4iu6A:
17.92
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		4 GLN A  47
GLN A 213
SER A  46
SER A  52
 None
 1.14A 2xz5C-4j5tA:
undetectable
2xz5D-4j5tA:
undetectable		 2xz5C-4j5tA:
14.19
2xz5D-4j5tA:
14.19
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.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		4 GLN A1016
ASP A 204
TYR A1015
SER A 299
 None
 1.13A 2xz5C-4kf7A:
undetectable
2xz5D-4kf7A:
undetectable		 2xz5C-4kf7A:
11.14
2xz5D-4kf7A:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lnz UNCONVENTIONAL
MYOSIN-VB

(Homo sapiens) 		PF01843
(DIL) 		4 THR A1769
GLN A1798
GLN A1771
ASP A1806
 None
 1.25A 2xz5C-4lnzA:
undetectable
2xz5D-4lnzA:
undetectable		 2xz5C-4lnzA:
20.71
2xz5D-4lnzA:
20.71
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.
4lyp EXO-BETA-1,4-MANNOSI
DASE

(Rhizomucor
miehei) 		no annotation 4 GLN A  28
ASP A 376
TYR A 364
SER A 386
 None
 1.04A 2xz5C-4lypA:
undetectable
2xz5D-4lypA:
undetectable		 2xz5C-4lypA:
15.14
2xz5D-4lypA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ma5 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Francisella
tularensis) 		PF02222
(ATP-grasp) 		4 GLN A 186
SER A 185
TYR A 199
SER A 214
 None
 1.21A 2xz5C-4ma5A:
undetectable
2xz5D-4ma5A:
undetectable		 2xz5C-4ma5A:
23.19
2xz5D-4ma5A:
23.19
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.
4mu9 GLYCOSIDE HYDROLASE
FAMILY 73

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 GLN A 127
ASP A 142
SER A 128
CYH A 188
 None
EDO  A 401 ( 2.7A)
EDO  A 401 (-4.9A)
None
 0.95A 2xz5C-4mu9A:
undetectable
2xz5D-4mu9A:
undetectable		 2xz5C-4mu9A:
20.34
2xz5D-4mu9A:
20.34
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 THR A 239
ASP A 240
TYR A 208
SER A 142
 None
MG  A1116 ( 3.9A)
None
MG  A1116 ( 2.0A)
 1.21A 2xz5C-4nenA:
2.5
2xz5D-4nenA:
2.6		 2xz5C-4nenA:
11.93
2xz5D-4nenA:
11.93
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.
4npa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		4 THR A  30
GLN A  37
SER A  33
TYR A  39
 None
 1.20A 2xz5C-4npaA:
undetectable
2xz5D-4npaA:
undetectable		 2xz5C-4npaA:
20.79
2xz5D-4npaA:
20.79
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		4 THR A 167
GLN A 208
ASP A 117
SER A 115
 3KK  A 802 ( 3.4A)
3KK  A 802 (-3.8A)
3KK  A 802 ( 2.7A)
3HC  A 801 ( 3.5A)
 1.16A 2xz5C-4r3uA:
undetectable
2xz5D-4r3uA:
undetectable		 2xz5C-4r3uA:
17.25
2xz5D-4r3uA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rei MAJOR LATEX-LIKE
PROTEIN

(Panax ginseng) 		PF00407
(Bet_v_1) 		4 THR A  35
ASP A 143
TYR A  60
SER A 139
 None
None
3MV  A 201 ( 3.6A)
None
 1.01A 2xz5C-4reiA:
undetectable
2xz5D-4reiA:
undetectable		 2xz5C-4reiA:
21.96
2xz5D-4reiA:
21.96
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.
4rei MAJOR LATEX-LIKE
PROTEIN

(Panax ginseng) 		PF00407
(Bet_v_1) 		4 THR A  35
GLN A  40
TYR A  60
SER A 139
 None
None
3MV  A 201 ( 3.6A)
None
 1.17A 2xz5C-4reiA:
undetectable
2xz5D-4reiA:
undetectable		 2xz5C-4reiA:
21.96
2xz5D-4reiA:
21.96
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.
4w5v SUMO-ACTIVATING
ENZYME SUBUNIT 2

(Homo sapiens) 		PF14732
(UAE_UbL) 		4 GLN B 524
GLN B 465
ASP B 479
SER B 493
 None
 1.18A 2xz5C-4w5vB:
undetectable
2xz5D-4w5vB:
undetectable		 2xz5C-4w5vB:
20.91
2xz5D-4w5vB:
20.91
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.
4w8o LUCIFERASE-LIKE
ENZYMEAMP-COA-LIGASE

(Zophobas
atratus) 		PF00501
(AMP-binding) 		4 THR A 208
SER A 353
TYR A 322
SER A 381
 None
 1.26A 2xz5C-4w8oA:
undetectable
2xz5D-4w8oA:
undetectable		 2xz5C-4w8oA:
18.39
2xz5D-4w8oA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgo ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1B

(Anopheles
gambiae) 		PF13855
(LRR_8) 		4 THR A 319
ASP A 300
SER A 277
TYR A 252
 None
 1.20A 2xz5C-4xgoA:
undetectable
2xz5D-4xgoA:
undetectable		 2xz5C-4xgoA:
19.83
2xz5D-4xgoA:
19.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR

(Aplysia
californica;
Homo sapiens) 		PF02931
(Neur_chan_LBD) 		5 THR A  36
GLN A  38
GLN A  57
ASP A 164
SER A 167
 None
 0.67A 2xz5C-4zjsA:
29.3
2xz5D-4zjsA:
29.3		 2xz5C-4zjsA:
77.63
2xz5D-4zjsA:
77.63
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.
5an8 TRPV2

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF12796
(Ank_2) 		4 THR A 514
GLN A 518
GLN A 661
SER A 524
 None
 1.14A 2xz5C-5an8A:
undetectable
2xz5D-5an8A:
undetectable		 2xz5C-5an8A:
15.96
2xz5D-5an8A:
15.96
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.
5coz UNCHARACTERIZED
PROTEIN

([Eubacterium]
rectale) 		no annotation 4 THR A 234
GLN A 231
ASP A 272
SER A 277
 None
NA  A 401 (-2.8A)
None
None
 1.25A 2xz5C-5cozA:
undetectable
2xz5D-5cozA:
undetectable		 2xz5C-5cozA:
19.76
2xz5D-5cozA:
19.76
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.
5czy LEGIONELLA EFFECTOR
LEGAS4

(Legionella
pneumophila) 		PF00023
(Ank)
PF00856
(SET) 		4 GLN A 239
ASP A 409
TYR A 233
SER A 241
 None
 1.24A 2xz5C-5czyA:
undetectable
2xz5D-5czyA:
undetectable		 2xz5C-5czyA:
17.49
2xz5D-5czyA:
17.49
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.
5d4k POLYMERIC
IMMUNOGLOBULIN
RECEPTOR

(Homo sapiens) 		PF07686
(V-set) 		4 GLN A 255
GLN A 314
ASP A 262
SER A 256
 None
 1.14A 2xz5C-5d4kA:
undetectable
2xz5D-5d4kA:
undetectable		 2xz5C-5d4kA:
18.67
2xz5D-5d4kA:
18.67
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.
5gyd MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Saccharomyces
cerevisiae) 		no annotation 4 GLN A 174
ASP A 118
SER A 172
SER A 115
 None
 1.16A 2xz5C-5gydA:
undetectable
2xz5D-5gydA:
undetectable		 2xz5C-5gydA:
23.83
2xz5D-5gydA:
23.83
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.
5h5v FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2

(Escherichia
coli) 		PF02465
(FliD_N)
PF07195
(FliD_C) 		4 THR A 192
GLN A 131
ASP A 208
SER A 210
 None
 1.21A 2xz5C-5h5vA:
undetectable
2xz5D-5h5vA:
undetectable		 2xz5C-5h5vA:
20.40
2xz5D-5h5vA:
20.40
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.
5h5w FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2

(Escherichia
coli) 		PF07195
(FliD_C)
PF07196
(Flagellin_IN) 		4 THR A 192
GLN A 131
ASP A 208
SER A 210
 None
 1.27A 2xz5C-5h5wA:
undetectable
2xz5D-5h5wA:
undetectable		 2xz5C-5h5wA:
23.55
2xz5D-5h5wA:
23.55
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.
5h8k N-CARBAMOYLPUTRESCIN
E AMIDOHYDROLASE

(Medicago
truncatula) 		PF00795
(CN_hydrolase) 		4 THR A 227
GLN A  59
SER A 232
TYR A  54
 None
None
None
GOL  A 402 (-4.4A)
 0.85A 2xz5C-5h8kA:
undetectable
2xz5D-5h8kA:
undetectable		 2xz5C-5h8kA:
18.51
2xz5D-5h8kA:
18.51
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 4 THR A 140
GLN A 137
SER A 142
TYR A 133
 None
 1.17A 2xz5C-5hssA:
undetectable
2xz5D-5hssA:
undetectable		 2xz5C-5hssA:
20.00
2xz5D-5hssA:
20.00
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.
5lt1 KINESIN-LIKE PROTEIN

(Homo sapiens) 		PF00225
(Kinesin) 		4 THR A 315
SER A 235
SER A  89
CYH A 301
 None
None
SO4  A 401 (-3.4A)
None
 1.27A 2xz5C-5lt1A:
undetectable
2xz5D-5lt1A:
undetectable		 2xz5C-5lt1A:
21.73
2xz5D-5lt1A:
21.73
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.
5m2o PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN
GROUP I DOCKERIN

(Ruminococcus
flavefaciens;
Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		4 GLN A 128
GLN B  47
ASP A 125
SER A 127
 None
 1.23A 2xz5C-5m2oA:
undetectable
2xz5D-5m2oA:
undetectable		 2xz5C-5m2oA:
18.55
2xz5D-5m2oA:
18.55
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 THR A  60
GLN A  73
ASP A  75
SER A 603
 None
 1.21A 2xz5C-5mzsA:
undetectable
2xz5D-5mzsA:
undetectable		 2xz5C-5mzsA:
undetectable
2xz5D-5mzsA:
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ASP A1225
SER A1221
TYR A1272
SER A1228
 None
 1.03A 2xz5C-5ngyA:
undetectable
2xz5D-5ngyA:
undetectable		 2xz5C-5ngyA:
11.31
2xz5D-5ngyA:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nqd ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER

(Rhizobium sp.
NT-26) 		no annotation 4 GLN B 143
TYR B 168
SER B 126
CYH B 121
 None
None
FES  B 201 (-3.1A)
FES  B 201 (-2.1A)
 1.22A 2xz5C-5nqdB:
undetectable
2xz5D-5nqdB:
undetectable		 2xz5C-5nqdB:
undetectable
2xz5D-5nqdB:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE
ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER

(Rhizobium sp.
NT-26;
Rhizobium sp.
NT-26) 		no annotation
no annotation 		4 THR B 142
GLN B 140
SER A  70
TYR B 168
 None
 1.26A 2xz5C-5nqdB:
undetectable
2xz5D-5nqdB:
undetectable		 2xz5C-5nqdB:
undetectable
2xz5D-5nqdB:
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 4 THR A 140
GLN A 341
SER A 388
CYH A 166
 None
 1.12A 2xz5C-5nvaA:
undetectable
2xz5D-5nvaA:
undetectable		 2xz5C-5nvaA:
undetectable
2xz5D-5nvaA:
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		4 THR T1667
GLN T1720
SER T1664
TYR T1712
 None
 1.23A 2xz5C-5ojsT:
undetectable
2xz5D-5ojsT:
undetectable		 2xz5C-5ojsT:
4.60
2xz5D-5ojsT:
4.60
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Sulfolobus
solfataricus;
Human
immunodeficiency
virus 1) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		4 THR A 115
GLN A 137
ASP A 116
CYH A  65
 None
None
MG  A 501 (-2.8A)
None
 1.10A 2xz5C-5u1cA:
undetectable
2xz5D-5u1cA:
undetectable		 2xz5C-5u1cA:
19.33
2xz5D-5u1cA:
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		4 GLN A 203
ASP A  71
SER A 204
SER A  73
 None
 1.21A 2xz5C-5ubkA:
undetectable
2xz5D-5ubkA:
undetectable		 2xz5C-5ubkA:
14.37
2xz5D-5ubkA:
14.37
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.
5wfb AP-4 COMPLEX
ACCESSORY SUBUNIT
TEPSIN

(Homo sapiens) 		PF01417
(ENTH) 		4 GLN A  51
ASP A   9
SER A  12
SER A  46
 None
 1.26A 2xz5C-5wfbA:
undetectable
2xz5D-5wfbA:
undetectable		 2xz5C-5wfbA:
21.08
2xz5D-5wfbA:
21.08
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.
5ws4 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Acinetobacter
baumannii) 		no annotation 4 THR A 456
GLN A 455
GLN A 313
ASP A 462
 None
 1.27A 2xz5C-5ws4A:
undetectable
2xz5D-5ws4A:
undetectable		 2xz5C-5ws4A:
15.09
2xz5D-5ws4A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgl SOLUBLE
ACETYLCHOLINE
RECEPTOR

(Aplysia
californica) 		no annotation 5 THR A  34
GLN A  36
GLN A  55
ASP A 162
SER A 165
 None
 0.39A 2xz5C-5xglA:
30.8
2xz5D-5xglA:
30.8		 2xz5C-5xglA:
undetectable
2xz5D-5xglA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 GLN B  34
ASP B  39
TYR B 193
CYH B 170
 None
 1.24A 2xz5C-5xogB:
undetectable
2xz5D-5xogB:
undetectable		 2xz5C-5xogB:
11.35
2xz5D-5xogB:
11.35
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 4 THR A 354
GLN A 352
ASP A 357
TYR A 471
 None
 1.18A 2xz5C-5y6rA:
undetectable
2xz5D-5y6rA:
undetectable		 2xz5C-5y6rA:
undetectable
2xz5D-5y6rA:
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.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 4 THR I 197
GLN I 470
TYR I 462
SER I 153
 None
 1.20A 2xz5C-6bnpI:
undetectable
2xz5D-6bnpI:
undetectable		 2xz5C-6bnpI:
undetectable
2xz5D-6bnpI:
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 4 THR A 470
SER A 466
TYR A 156
SER A  31
 None
 1.20A 2xz5C-6c26A:
undetectable
2xz5D-6c26A:
undetectable		 2xz5C-6c26A:
undetectable
2xz5D-6c26A:
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.
6c87 RAB GDP DISSOCIATION
INHIBITOR ALPHA

(Naegleria
fowleri) 		no annotation 4 THR A 410
ASP A 408
TYR A 193
SER A 415
 None
 1.15A 2xz5C-6c87A:
undetectable
2xz5D-6c87A:
undetectable		 2xz5C-6c87A:
undetectable
2xz5D-6c87A:
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 4 THR B  27
GLN B 702
ASP B  30
SER B  33
 None
None
CLA  B1226 (-3.4A)
None
 1.09A 2xz5C-6fosB:
undetectable
2xz5D-6fosB:
undetectable		 2xz5C-6fosB:
undetectable
2xz5D-6fosB:
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 4 THR B  27
GLN B 702
SER B  33
SER B 554
 None
 1.25A 2xz5C-6fosB:
undetectable
2xz5D-6fosB:
undetectable		 2xz5C-6fosB:
undetectable
2xz5D-6fosB:
undetectable