SIMILAR PATTERNS OF AMINO ACIDS FOR 1AJ6_A_NOVA1_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.
1h67 CALPONIN ALPHA

(Gallus gallus) 		PF00307
(CH) 		5 GLU A 107
ASP A 110
ILE A 105
PRO A 102
ILE A  95
 None
 1.15A 1aj6A-1h67A:
undetectable		 1aj6A-1h67A:
18.48
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.
1i5a CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c) 		5 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 MN  A 996 ( 2.8A)
ACP  A 998 (-3.7A)
None
ACP  A 998 (-4.3A)
ACP  A 998 (-3.8A)
 1.02A 1aj6A-1i5aA:
5.8		 1aj6A-1i5aA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1id0 PHOQ HISTIDINE
KINASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ASN A 389
ASP A 415
ILE A 420
PRO A 421
ILE A 428
 ANP  A 487 (-3.0A)
ANP  A 487 (-3.7A)
ANP  A 487 (-4.7A)
None
ANP  A 487 (-3.7A)
 0.70A 1aj6A-1id0A:
6.3		 1aj6A-1id0A:
24.79
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.
1j5t INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermotoga
maritima) 		PF00218
(IGPS) 		5 ARG A   5
ILE A  83
PRO A  82
ALA A  55
ILE A  56
 None
 1.24A 1aj6A-1j5tA:
undetectable		 1aj6A-1j5tA:
23.25
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.
1kgd PERIPHERAL PLASMA
MEMBRANE CASK

(Homo sapiens) 		PF00625
(Guanylate_kin) 		5 ASN A 891
GLU A 896
ARG A 899
ILE A 898
ILE A 750
 None
 1.36A 1aj6A-1kgdA:
undetectable		 1aj6A-1kgdA:
24.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kij DNA GYRASE SUBUNIT B

(Thermus
thermophilus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  45
GLU A  49
ASP A  72
ARG A  75
ILE A  77
PRO A  78
ALA A  89
ILE A  93
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.1A)
NOV  A 400 (-4.4A)
NOV  A 400 ( 4.1A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.3A)
 0.46A 1aj6A-1kijA:
28.2		 1aj6A-1kijA:
35.74
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.
1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE

(Solanum
tuberosum) 		PF01536
(SAM_decarbox) 		5 GLU B  20
ASP A 112
ARG B  18
ALA A  95
ILE A  99
 None
 1.49A 1aj6A-1mhmB:
undetectable		 1aj6A-1mhmB:
17.76
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASN A  70
ILE A 104
PRO A 105
ILE A 120
THR A 195
 MG  A 903 ( 2.6A)
ANP  A 901 (-4.9A)
None
ANP  A 901 (-3.8A)
ANP  A 901 ( 4.2A)
 0.79A 1aj6A-1pvgA:
18.5		 1aj6A-1pvgA:
22.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s14 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		8 ASN A1042
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ALA A1086
ILE A1090
THR A1163
 NOV  A1300 (-3.7A)
NOV  A1300 (-3.7A)
NOV  A1300 (-3.4A)
NOV  A1300 (-3.1A)
NOV  A1300 (-4.5A)
NOV  A1300 ( 4.3A)
NOV  A1300 ( 4.6A)
NOV  A1300 ( 4.0A)
 0.53A 1aj6A-1s14A:
23.3		 1aj6A-1s14A:
39.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s16 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		8 ASN A1042
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ALA A1086
ILE A1090
THR A1163
 ANP  A1500 (-3.2A)
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
None
None
None
ANP  A1500 ( 3.2A)
ANP  A1500 (-3.7A)
 0.70A 1aj6A-1s16A:
24.2		 1aj6A-1s16A:
30.65
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.
1sy6 OKT3 FAB HEAVY CHAIN
T-CELL SURFACE
GLYCOPROTEIN CD3
GAMMA/EPSILON CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF16680
(Ig_4)
PF16681
(Ig_5) 		5 GLU A 141
ARG A 186
ILE H  51
ALA H  79
THR H  58
 None
 1.32A 1aj6A-1sy6A:
undetectable		 1aj6A-1sy6A:
20.85
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.
1tid ANTI-SIGMA F FACTOR

(Geobacillus
stearothermophilus) 		PF13581
(HATPase_c_2) 		5 ASN A  50
ASP A  81
ILE A  86
PRO A  87
THR A 130
 ATP  A 200 ( 2.8A)
ATP  A 200 (-4.0A)
ATP  A 200 (-4.2A)
None
ATP  A 200 (-3.4A)
 0.67A 1aj6A-1tidA:
6.4		 1aj6A-1tidA:
24.32
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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASN A 316
ILE A 281
PRO A 250
ALA A 272
ILE A 267
 None
 1.46A 1aj6A-1tkkA:
undetectable		 1aj6A-1tkkA:
20.43
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.
1us4 PUTATIVE GLUR0
LIGAND BINDING CORE

(Thermus
thermophilus) 		PF16868
(NMT1_3) 		5 ASN A 146
GLU A 144
ILE A  91
ALA A  85
ILE A  81
 None
 1.28A 1aj6A-1us4A:
undetectable		 1aj6A-1us4A:
22.42
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.
1vdl UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 25

(Mus musculus) 		PF14555
(UBA_4) 		5 ASN A  65
ILE A  37
ALA A  40
ILE A  42
THR A  35
 None
 1.24A 1aj6A-1vdlA:
undetectable		 1aj6A-1vdlA:
18.26
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 ASN A  42
ASP A  76
ILE A  81
PRO A  82
THR A 170
 MG  A1001 ( 2.6A)
ADP  A2001 (-3.7A)
ADP  A2001 (-4.5A)
None
ADP  A2001 ( 3.9A)
 0.65A 1aj6A-1z5aA:
17.6		 1aj6A-1z5aA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zxn DNA TOPOISOMERASE
II, ALPHA ISOZYME

(Homo sapiens) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASN A  91
ILE A 125
PRO A 126
ILE A 141
THR A 215
 MG  A 900 ( 2.5A)
ADP  A 901 (-4.4A)
None
ADP  A 901 (-3.7A)
ADP  A 901 ( 4.1A)
 0.80A 1aj6A-1zxnA:
17.5		 1aj6A-1zxnA:
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.
2c9k PESTICIDAL CRYSTAL
PROTEIN CRY4AA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 ILE A 541
PRO A 542
ALA A 543
ILE A 575
THR A 539
 None
 1.21A 1aj6A-2c9kA:
undetectable		 1aj6A-2c9kA:
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.
2f1r MOLYBDOPTERIN-GUANIN
E DINUCLEOTIDE
BIOSYNTHESIS PROTEIN
B (MOBB)

(Archaeoglobus
fulgidus) 		PF03205
(MobB) 		5 GLU A 148
ASP A 147
ARG A 151
ILE A 152
ILE A 112
 None
 1.36A 1aj6A-2f1rA:
undetectable		 1aj6A-2f1rA:
22.94
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		5 ASN A 115
GLU A 192
ILE A  53
ALA A  57
THR A  47
 None
 1.46A 1aj6A-2fcaA:
undetectable		 1aj6A-2fcaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ibp CITRATE SYNTHASE

(Pyrobaculum
aerophilum) 		PF00285
(Citrate_synt) 		5 ASN A 259
ILE A 322
PRO A 266
ALA A 325
ILE A 326
 None
 1.46A 1aj6A-2ibpA:
undetectable		 1aj6A-2ibpA:
19.41
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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLU A 116
ARG A 467
ILE A 443
PRO A 461
THR A 497
 None
MGD  A 811 ( 4.0A)
MGD  A 811 (-3.9A)
MGD  A 811 (-4.2A)
None
 1.38A 1aj6A-2jirA:
undetectable		 1aj6A-2jirA:
16.82
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.
2k4y FEOA-LIKE PROTEIN

(Clostridium
acetobutylicum) 		PF04023
(FeoA) 		5 ASN A   8
GLU A  69
ILE A  54
PRO A  53
ALA A  48
 None
 1.44A 1aj6A-2k4yA:
undetectable		 1aj6A-2k4yA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mdt PUTATIVE
UNCHARACTERIZED
PROTEIN

(Sulfolobus
solfataricus) 		no annotation 5 ASN A  20
ILE A 102
PRO A 103
ALA A  85
ILE A  84
 None
 1.49A 1aj6A-2mdtA:
undetectable		 1aj6A-2mdtA:
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.
2nn6 POLYMYOSITIS/SCLEROD
ERMA AUTOANTIGEN 1

(Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 GLU A 211
ASP A 142
ILE A 145
ILE A 146
THR A  53
 None
 1.34A 1aj6A-2nn6A:
undetectable		 1aj6A-2nn6A:
18.65
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 334
ILE A 305
ALA A 112
ILE A  48
THR A 303
 None
 1.23A 1aj6A-2pgwA:
undetectable		 1aj6A-2pgwA:
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.
2pl1 TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOP

(Escherichia
coli) 		PF00072
(Response_reg) 		5 GLU A  57
ASP A  58
ARG A  65
ILE A  63
ILE A  75
 None
 0.89A 1aj6A-2pl1A:
undetectable		 1aj6A-2pl1A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 GLU A 110
ILE A 106
PRO A 105
ALA A 163
THR A 113
 None
 0.93A 1aj6A-2rghA:
undetectable		 1aj6A-2rghA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		6 GLU A 190
ARG A 176
ILE A 184
ALA A 196
ILE A   6
THR A 186
 None
 1.42A 1aj6A-2uzzA:
undetectable		 1aj6A-2uzzA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		5 GLU A 437
ILE A 396
PRO A 397
ALA A 398
ILE A 465
 None
 1.23A 1aj6A-2vwbA:
undetectable		 1aj6A-2vwbA:
17.13
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.
2yxd PROBABLE
COBALT-PRECORRIN-6Y
C(15)-METHYLTRANSFER
ASE
[DECARBOXYLATING]

(Methanocaldococcus
jannaschii) 		PF13847
(Methyltransf_31) 		5 ASN A 136
GLU A 143
ARG A 147
ALA A 104
ILE A 106
 None
 1.33A 1aj6A-2yxdA:
undetectable		 1aj6A-2yxdA:
20.98
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.
2zyi LIPASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF00561
(Abhydrolase_1) 		5 ARG A 275
ILE A 456
PRO A 457
ALA A 458
ILE A 466
 None
 1.33A 1aj6A-2zyiA:
undetectable		 1aj6A-2zyiA:
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.
3bt6 INFLUENZA B
HEMAGGLUTININ (HA)

(Influenza B
virus) 		PF00509
(Hemagglutinin) 		5 ASP A  64
ILE A  97
PRO A  96
ILE A 243
THR A  91
 None
 1.29A 1aj6A-3bt6A:
undetectable		 1aj6A-3bt6A:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		8 ASN A  42
GLU A  46
ASP A  69
ARG A  72
PRO A  75
ALA A  86
ILE A  90
THR A 163
 1EU  A   2 (-4.9A)
1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
1EU  A   2 (-3.3A)
1EU  A   2 (-4.2A)
None
1EU  A   2 (-4.5A)
1EU  A   2 (-3.7A)
 0.69A 1aj6A-3fv5A:
26.7		 1aj6A-3fv5A:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lps TOPOISOMERASE IV
SUBUNIT B

(Xanthomonas
oryzae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  86
GLU A  90
ASP A 113
ARG A 116
PRO A 119
ILE A 134
THR A 207
 NOV  A 901 (-4.0A)
NOV  A 901 (-3.8A)
NOV  A 901 (-3.5A)
NOV  A 901 (-3.4A)
NOV  A 901 (-4.5A)
NOV  A 901 ( 4.9A)
NOV  A 901 ( 4.2A)
 0.51A 1aj6A-3lpsA:
27.3		 1aj6A-3lpsA:
32.30
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.
3p83 RIBONUCLEASE HII

(Archaeoglobus
fulgidus) 		PF01351
(RNase_HII) 		5 ILE D  90
PRO D  95
ALA D   3
ILE D   5
THR D 118
 None
 1.43A 1aj6A-3p83D:
undetectable		 1aj6A-3p83D:
23.14
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		5 GLU A 366
ARG A 362
ILE A 464
ALA A 493
ILE A 501
 None
 1.18A 1aj6A-3pbkA:
undetectable		 1aj6A-3pbkA:
16.21
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.
3psi TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		5 ASP A 797
ILE A 782
ALA A 764
ILE A 765
THR A 798
 None
 1.41A 1aj6A-3psiA:
undetectable		 1aj6A-3psiA:
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.
3q58 N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Salmonella
enterica) 		PF04131
(NanE) 		5 GLU A 148
ARG A 123
ILE A 101
ALA A  99
ILE A  70
 PEG  A 234 ( 4.4A)
PEG  A 234 (-3.9A)
None
None
None
 1.45A 1aj6A-3q58A:
undetectable		 1aj6A-3q58A:
22.22
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.
3qty PHOSPHORIBOSYLAMINOI
MIDAZOLE (AIR)
SYNTHETASE

(Francisella
tularensis) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLU A 144
PRO A 116
ALA A 117
ILE A 118
THR A 142
 None
None
None
None
POP  A 404 ( 4.3A)
 1.21A 1aj6A-3qtyA:
undetectable		 1aj6A-3qtyA:
22.66
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.
3sl2 SENSOR HISTIDINE
KINASE YYCG

(Bacillus
subtilis) 		PF02518
(HATPase_c) 		5 ASN A 503
ASP A 533
ILE A 538
PRO A 539
THR A 592
 MG  A 701 ( 2.5A)
ATP  A 703 (-3.5A)
ATP  A 703 (-4.5A)
None
ATP  A 703 (-3.9A)
 0.59A 1aj6A-3sl2A:
6.2		 1aj6A-3sl2A:
25.00
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.
3t6a BREAST CANCER
ANTI-ESTROGEN
RESISTANCE PROTEIN 3

(Homo sapiens) 		PF00617
(RasGEF) 		5 ASP A 622
ILE A 613
ALA A 653
ILE A 659
THR A 626
 None
 1.43A 1aj6A-3t6aA:
undetectable		 1aj6A-3t6aA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		5 GLU A 228
ASP A 227
ARG A 208
ILE A 194
THR A 192
 None
 1.48A 1aj6A-3ty4A:
undetectable		 1aj6A-3ty4A:
17.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u2k DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		9 ASN A  54
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ALA A  98
ILE A 102
THR A 173
 087  A   1 (-3.9A)
087  A   1 (-3.4A)
087  A   1 (-3.5A)
087  A   1 (-3.8A)
087  A   1 (-4.4A)
087  A   1 (-4.3A)
None
None
087  A   1 ( 3.8A)
 0.49A 1aj6A-3u2kA:
28.1		 1aj6A-3u2kA:
48.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		6 ASN A  52
GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
 ANP  A 601 ( 2.6A)
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
ANP  A 601 (-4.3A)
None
 0.75A 1aj6A-3zkbA:
27.4		 1aj6A-3zkbA:
36.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zt9 SERINE PHOSPHATASE

(Moorella
thermoacetica) 		PF07228
(SpoIIE) 		5 ASN A 103
GLU A 154
PRO A 117
ALA A  98
ILE A 100
 None
 1.40A 1aj6A-3zt9A:
undetectable		 1aj6A-3zt9A:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b6c DNA GYRASE SUBUNIT B

(Mycolicibacterium
smegmatis) 		PF02518
(HATPase_c) 		7 ASN A  52
GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
THR A 169
 B5U  A1256 (-3.2A)
B5U  A1256 (-3.6A)
B5U  A1256 (-3.5A)
B5U  A1256 (-3.4A)
B5U  A1256 (-4.3A)
B5U  A1256 (-4.2A)
B5U  A1256 (-3.6A)
 0.62A 1aj6A-4b6cA:
22.6		 1aj6A-4b6cA:
46.82
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.
4c1n CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF03599
(CdhD) 		5 GLU B  52
ARG B 293
ILE B 246
ALA B 212
ILE B 210
 None
 1.09A 1aj6A-4c1nB:
undetectable		 1aj6A-4c1nB:
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 GLU A  87
ASP A  83
ILE A  89
ALA A  61
THR A 110
 None
 1.50A 1aj6A-4e84A:
undetectable		 1aj6A-4e84A:
20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4em7 DNA TOPOISOMERASE
IV, B SUBUNIT

(Streptococcus
pneumoniae) 		PF02518
(HATPase_c) 		7 ASN A  51
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
THR A 172
 0RA  A 301 (-4.7A)
0RA  A 301 (-3.4A)
0RA  A 301 (-3.6A)
0RA  A 301 ( 3.8A)
0RA  A 301 ( 4.8A)
None
0RA  A 301 ( 3.9A)
 0.77A 1aj6A-4em7A:
28.3		 1aj6A-4em7A:
51.75
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.
4ex6 ALNB

(Streptomyces
sp. CM020) 		PF13419
(HAD_2) 		5 ASP A 209
PRO A 167
ALA A 160
ILE A  13
THR A 189
 None
 1.44A 1aj6A-4ex6A:
undetectable		 1aj6A-4ex6A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fha DIHYDRODIPICOLINATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00701
(DHDPS) 		5 ASN A 216
ASP A 194
PRO A 257
ALA A 260
ILE A 261
 None
 1.07A 1aj6A-4fhaA:
undetectable		 1aj6A-4fhaA:
22.42
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ASN A  70
ILE A 104
PRO A 105
ILE A 120
THR A 195
 ANP  A1202 ( 2.7A)
None
None
ANP  A1202 (-3.8A)
ANP  A1202 (-3.4A)
 0.81A 1aj6A-4gfhA:
16.3		 1aj6A-4gfhA:
11.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hxw DNA GYRASE SUBUNIT B

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		8 ASN A  55
GLU A  59
ASP A  82
ARG A  85
ILE A  87
PRO A  88
ALA A  99
THR A 174
 1A0  A 301 (-3.8A)
1A0  A 301 (-3.2A)
1A0  A 301 (-3.4A)
1A0  A 301 (-3.5A)
1A0  A 301 (-3.9A)
1A0  A 301 (-4.2A)
None
1A0  A 301 (-3.6A)
 0.49A 1aj6A-4hxwA:
28.8		 1aj6A-4hxwA:
55.77
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.
4hy3 PHOSPHOGLYCERATE
OXIDOREDUCTASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 ILE A  44
PRO A  62
ALA A  12
ILE A  10
THR A  68
 None
 1.49A 1aj6A-4hy3A:
undetectable		 1aj6A-4hy3A:
20.54
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		6 ASN A  41
GLU A  45
ASP A  68
ARG A  71
ILE A  89
THR A 162
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
CJC  A 401 (-4.6A)
CJC  A 401 (-3.6A)
 0.49A 1aj6A-4hymA:
27.1		 1aj6A-4hymA:
27.92
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		6 ASN A  41
GLU A  45
ASP A  68
ARG A  71
PRO A  74
THR A 162
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
CJC  A 401 ( 4.7A)
CJC  A 401 (-3.6A)
 0.79A 1aj6A-4hymA:
27.1		 1aj6A-4hymA:
27.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hz5 DNA TOPOISOMERASE
IV, B SUBUNIT

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		7 ASN A  49
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
THR A 169
 19Y  A 301 (-3.8A)
19Y  A 301 (-3.3A)
19Y  A 301 (-3.3A)
19Y  A 301 (-4.0A)
19Y  A 301 (-4.0A)
19Y  A 301 ( 4.7A)
19Y  A 301 (-3.7A)
 0.56A 1aj6A-4hz5A:
27.9		 1aj6A-4hz5A:
53.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 5 ASN A  59
GLU A  67
ARG A 332
ILE A  96
ALA A 104
 None
 1.34A 1aj6A-4iikA:
undetectable		 1aj6A-4iikA:
23.65
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.
4j2h SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ASN A 185
ILE A 187
PRO A 189
ALA A 247
ILE A 245
 None
 1.47A 1aj6A-4j2hA:
undetectable		 1aj6A-4j2hA:
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.
4jas HISTIDINE KINASE

(Thermotoga
maritima) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		6 ASN A 380
ASP A 411
ILE A 416
PRO A 417
ALA A 420
ILE A 424
 ADP  A 501 ( 2.7A)
ADP  A 501 (-3.4A)
ADP  A 501 (-4.6A)
None
None
ADP  A 501 (-3.7A)
 1.17A 1aj6A-4jasA:
3.2		 1aj6A-4jasA:
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.
4lps HYDROGENASE/UREASE
NICKEL INCORPORATION
PROTEIN HYPB

(Helicobacter
pylori) 		PF02492
(cobW) 		5 ASN A 136
ILE A 100
ALA A 116
ILE A 113
THR A 102
 None
 1.37A 1aj6A-4lpsA:
undetectable		 1aj6A-4lpsA:
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.
4me4 METAL DEPENDENT
PHOSPHOHYDROLASE

(Persephonella
marina) 		PF01590
(GAF)
PF01966
(HD) 		5 ASP A  99
ILE A 109
ALA A 111
ILE A  72
THR A 106
 None
 1.28A 1aj6A-4me4A:
undetectable		 1aj6A-4me4A:
21.07
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.
4o5m ISOVALERYL-COA
DEHYDROGENASE

(Brucella suis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A  44
ARG A  23
ILE A  24
ALA A  28
ILE A  83
 None
 1.44A 1aj6A-4o5mA:
undetectable		 1aj6A-4o5mA:
21.07
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		5 ASP A 461
ILE A 192
ALA A 196
ILE A 221
THR A 188
 None
 1.48A 1aj6A-4p7hA:
undetectable		 1aj6A-4p7hA:
12.22
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 ASN A 250
ASP A 282
ILE A 287
PRO A 288
THR A 324
 MG  A 401 ( 2.4A)
ANP  A 402 (-2.7A)
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
ANP  A 402 (-3.6A)
 0.92A 1aj6A-4r39A:
4.1		 1aj6A-4r39A:
22.14
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 ASP A 282
ARG A 285
ILE A 287
PRO A 288
THR A 324
 ANP  A 402 (-2.7A)
None
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
ANP  A 402 (-3.6A)
 1.24A 1aj6A-4r39A:
4.1		 1aj6A-4r39A:
22.14
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ASN A 250
ARG A 285
ILE A 287
PRO A 288
THR A 324
 MG  A 400 ( 2.5A)
None
ANP  A 401 (-4.3A)
ANP  A 401 ( 4.7A)
ANP  A 401 ( 4.1A)
 1.11A 1aj6A-4r3aA:
3.8		 1aj6A-4r3aA:
23.90
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ASN A 250
ASP A 282
ILE A 287
PRO A 288
THR A 324
 MG  A 400 ( 2.5A)
ANP  A 401 (-3.3A)
ANP  A 401 (-4.3A)
ANP  A 401 ( 4.7A)
ANP  A 401 ( 4.1A)
 0.91A 1aj6A-4r3aA:
3.8		 1aj6A-4r3aA:
23.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASN A  49
ASP A  76
ARG A 138
ILE A  96
THR A 168
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.6A)
None
None
XAM  A2000 (-3.6A)
 1.45A 1aj6A-4urlA:
29.6		 1aj6A-4urlA:
42.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  49
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
THR A 168
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
XAM  A2000 (-4.8A)
None
XAM  A2000 (-3.6A)
 0.71A 1aj6A-4urlA:
29.6		 1aj6A-4urlA:
42.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		9 ASN A  54
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ALA A  98
ILE A 102
THR A 173
 XAM  A2000 (-3.7A)
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 (-4.5A)
XAM  A2000 ( 4.9A)
XAM  A2000 ( 3.8A)
XAM  A2000 (-4.5A)
XAM  A2000 (-3.8A)
 0.56A 1aj6A-4urmA:
29.9		 1aj6A-4urmA:
55.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urn DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		7 ASN A  49
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
THR A 168
 NOV  A2000 (-3.8A)
NOV  A2000 (-3.4A)
NOV  A2000 (-3.5A)
NOV  A2000 (-3.2A)
NOV  A2000 (-4.1A)
NOV  A2000 (-4.2A)
NOV  A2000 (-3.9A)
 0.66A 1aj6A-4urnA:
29.1		 1aj6A-4urnA:
52.42
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 ASN A 116
ILE A 113
ALA A  54
ILE A  56
THR A 142
 None
 1.33A 1aj6A-4wzzA:
undetectable		 1aj6A-4wzzA:
19.77
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.
4xiv CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		5 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 ACP  A 601 (-2.9A)
ACP  A 601 (-3.8A)
None
ACP  A 601 ( 4.6A)
ACP  A 601 (-3.9A)
 0.90A 1aj6A-4xivA:
3.3		 1aj6A-4xivA:
20.70
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.
4y0i 4-AMINOBUTYRATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Sus scrofa) 		PF00202
(Aminotran_3) 		5 GLU A 141
ILE A 182
ALA A 260
ILE A 147
THR A 199
 None
 1.40A 1aj6A-4y0iA:
undetectable		 1aj6A-4y0iA:
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 ILE A 141
PRO A 142
ALA A 137
ILE A 136
THR A 116
 None
 1.50A 1aj6A-4yhsA:
undetectable		 1aj6A-4yhsA:
20.98
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLU A 311
ILE A 425
ALA A 436
ILE A 438
THR A 509
 None
 1.39A 1aj6A-4ynuA:
undetectable		 1aj6A-4ynuA:
17.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zvi DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  46
GLU A  50
ASP A  73
ARG A  76
ILE A  78
PRO A  79
ALA A  90
ILE A  94
THR A 165
 4S4  A 401 (-4.3A)
4S4  A 401 (-3.1A)
4S4  A 401 (-3.4A)
4S4  A 401 (-2.8A)
4S4  A 401 (-4.4A)
4S4  A 401 (-4.5A)
None
None
4S4  A 401 ( 3.8A)
 0.40A 1aj6A-4zviA:
31.5		 1aj6A-4zviA:
99.51
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.
4zzk BASAL-BODY ROD
MODIFICATION PROTEIN
FLGD

(Helicobacter
pylori) 		PF13860
(FlgD_ig) 		5 ASP A 200
ILE A 183
PRO A 184
ALA A 169
ILE A 170
 None
 1.40A 1aj6A-4zzkA:
undetectable		 1aj6A-4zzkA:
22.12
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.
5bk6 PUTATIVE AMIDASE

(Rhizobium
leguminosarum) 		no annotation 5 ASP A  36
ILE A  33
ALA A  31
ILE A 165
THR A  82
 None
 1.38A 1aj6A-5bk6A:
undetectable		 1aj6A-5bk6A:
18.71
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.
5caj UPF0246 PROTEIN YAAA

(Escherichia
coli) 		PF03883
(H2O2_YaaD) 		5 GLU A  98
ARG A  21
ALA A  79
ILE A  80
THR A  18
 None
 1.38A 1aj6A-5cajA:
undetectable		 1aj6A-5cajA:
23.34
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.
5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 ASN D 272
GLU D 278
ILE D 266
ALA D 264
ILE D  59
 None
 1.48A 1aj6A-5disD:
undetectable		 1aj6A-5disD:
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.
5fmt FLAGELLAR ASSOCIATED
PROTEIN

(Chlamydomonas
reinhardtii) 		PF10243
(MIP-T3) 		5 GLU A 102
ARG A  93
ILE A  97
PRO A  94
THR A 106
 None
 1.36A 1aj6A-5fmtA:
undetectable		 1aj6A-5fmtA:
17.78
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.
5idj CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ASN A 434
ASP A 479
ILE A 484
PRO A 485
ILE A 492
 ADP  A 600 ( 2.9A)
ADP  A 600 (-3.3A)
ADP  A 600 (-4.5A)
None
ADP  A 600 (-4.3A)
 1.00A 1aj6A-5idjA:
6.3		 1aj6A-5idjA:
21.24
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.
5idm CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF02518
(HATPase_c) 		5 ASN A 434
ASP A 479
ILE A 484
PRO A 485
ILE A 492
 MG  A 602 ( 2.6A)
ANP  A 601 (-3.5A)
ANP  A 601 (-4.5A)
None
ANP  A 601 ( 4.0A)
 0.92A 1aj6A-5idmA:
6.4		 1aj6A-5idmA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j5p DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASN A  51
ASP A  78
ARG A 140
ILE A  98
THR A 172
 MG  A 503 ( 2.5A)
ANP  A 501 (-2.6A)
None
ANP  A 501 ( 3.4A)
ANP  A 501 (-3.5A)
 1.45A 1aj6A-5j5pA:
27.9		 1aj6A-5j5pA:
32.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j5p DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  51
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
THR A 172
 MG  A 503 ( 2.5A)
ANP  A 501 (-3.2A)
ANP  A 501 (-2.6A)
None
None
ANP  A 501 ( 3.4A)
ANP  A 501 (-3.5A)
 0.73A 1aj6A-5j5pA:
27.9		 1aj6A-5j5pA:
32.76
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.
5jmd HEPARINASE III
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 ASN A 447
ASP A 347
ILE A 358
ALA A 595
THR A 349
 None
 1.13A 1aj6A-5jmdA:
undetectable		 1aj6A-5jmdA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k10 ISOCITRATE
DEHYDROGENASE [NADP]
CYTOPLASMIC

(Homo sapiens) 		PF00180
(Iso_dh) 		5 ASP A 299
ILE A  64
ALA A  60
ILE A  99
THR A 302
 None
 1.39A 1aj6A-5k10A:
undetectable		 1aj6A-5k10A:
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.
5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 ASP H  73
ARG H  94
ILE H  51
ALA H  49
ILE H  69
 None
 1.31A 1aj6A-5kelH:
undetectable		 1aj6A-5kelH:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 GLU A1798
ASP A1802
ILE A1792
ALA A1869
ILE A1854
 None
 1.26A 1aj6A-5m59A:
undetectable		 1aj6A-5m59A:
8.35
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.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		5 ASN A 406
ASP A 401
PRO A 278
ALA A  21
ILE A  22
 None
 1.41A 1aj6A-5medA:
undetectable		 1aj6A-5medA:
18.20
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 GLU A 624
ARG A 146
ILE A 216
ALA A 247
THR A 220
 None
None
None
NAG  A1109 ( 4.0A)
None
 1.32A 1aj6A-5nbsA:
undetectable		 1aj6A-5nbsA:
16.44
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.
6blk SIGNAL TRANSDUCTION
HISTIDINE-PROTEIN
KINASE/PHOSPHATASE
MPRB

(Mycolicibacterium
hassiacum) 		no annotation 5 ASN C 375
ASP C 404
ILE C 409
PRO C 410
THR C 465
 ATP  C 501 ( 2.5A)
ATP  C 501 (-2.6A)
ATP  C 501 ( 4.8A)
None
ATP  C 501 (-3.9A)
 0.91A 1aj6A-6blkC:
5.8		 1aj6A-6blkC:
23.26
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Mus musculus) 		no annotation 5 ASN N 197
ILE N 265
ALA N 340
ILE N 344
THR N 268
 None
 1.24A 1aj6A-6g72N:
undetectable		 1aj6A-6g72N:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Mus musculus) 		no annotation 5 ASN N 197
ILE N 265
PRO N 262
ILE N 344
THR N 268
 None
 1.15A 1aj6A-6g72N:
undetectable		 1aj6A-6g72N:
15.84