SIMILAR PATTERNS OF AMINO ACIDS FOR 5DB5_A_CYSA503

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 ALA A 573
HIS A 101
ARG A 644
ARG A 580
 None
FLC  A 756 ( 3.8A)
FLC  A 756 (-4.3A)
FLC  A 756 (-3.3A)
 1.20A 5db5A-1b0kA:
undetectable
5db5B-1b0kA:
undetectable		 5db5A-1b0kA:
20.08
5db5B-1b0kA:
20.08
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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 ALA A 642
ARG A 452
HIS A 646
THR A  75
 FLC  A 756 (-3.0A)
FLC  A 756 (-3.0A)
None
FLC  A 756 ( 4.4A)
 1.26A 5db5A-1b0kA:
undetectable
5db5B-1b0kA:
undetectable		 5db5A-1b0kA:
20.08
5db5B-1b0kA:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c0n PROTEIN (CSDB
PROTEIN)

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 ALA A  31
HIS A 123
ASN A 175
LYS A 226
ARG A 379
 ACY  A 550 (-3.6A)
PLP  A 500 (-3.7A)
ACY  A 550 (-3.7A)
PLP  A 500 (-1.3A)
ACY  A 550 (-2.5A)
 0.31A 5db5A-1c0nA:
65.6
5db5B-1c0nA:
65.8		 5db5A-1c0nA:
98.28
5db5B-1c0nA:
98.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ecx AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00266
(Aminotran_5) 		5 ALA A   9
HIS A  99
ASN A 150
LYS A 203
ARG A 350
 CYS  A 502 ( 4.2A)
PLP  A 500 ( 3.6A)
CYS  A 502 ( 3.3A)
PLP  A 500 (-2.4A)
CYS  A 502 (-2.4A)
 0.53A 5db5A-1ecxA:
42.7
5db5B-1ecxA:
42.4		 5db5A-1ecxA:
27.38
5db5B-1ecxA:
27.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h1c HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		4 ALA A  25
ASN A  27
ARG A 308
ARG A 315
 None
 1.28A 5db5A-1h1cA:
22.2
5db5B-1h1cA:
21.9		 5db5A-1h1cA:
22.17
5db5B-1h1cA:
22.17
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.
1jfx 1,4-BETA-N-ACETYLMUR
AMIDASE M1

(Streptomyces
coelicolor) 		PF01183
(Glyco_hydro_25) 		4 ALA A  80
ARG A 130
HIS A  63
THR A  35
 None
 1.28A 5db5A-1jfxA:
undetectable
5db5B-1jfxA:
undetectable		 5db5A-1jfxA:
19.75
5db5B-1jfxA:
19.75
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ALA A 419
HIS A 415
ASN A 421
THR A1002
 None
MGD  A1019 (-3.9A)
None
None
 1.32A 5db5A-1kqfA:
2.1
5db5B-1kqfA:
undetectable		 5db5A-1kqfA:
17.42
5db5B-1kqfA:
17.42
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 HIS A  68
ASN A 108
HIS A 519
THR A  17
 None
 1.31A 5db5A-1lrwA:
undetectable
5db5B-1lrwA:
undetectable		 5db5A-1lrwA:
21.02
5db5B-1lrwA:
21.02
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 HIS A 462
ASN A  61
ARG A 264
ARG A 261
 MN  A 601 ( 3.3A)
2PG  A 801 (-4.5A)
2PG  A 801 (-4.0A)
2PG  A 801 (-2.9A)
 1.23A 5db5A-1o99A:
3.1
5db5B-1o99A:
undetectable		 5db5A-1o99A:
21.64
5db5B-1o99A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1or7 RNA POLYMERASE
SIGMA-E FACTOR
SIGMA-E FACTOR
NEGATIVE REGULATORY
PROTEIN

(Escherichia
coli;
Escherichia
coli) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
PF03872
(RseA_N) 		4 HIS C  37
ARG A 149
ARG A 178
HIS A   0
 None
 1.26A 5db5A-1or7C:
undetectable
5db5B-1or7C:
undetectable		 5db5A-1or7C:
12.46
5db5B-1or7C:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1or7 RNA POLYMERASE
SIGMA-E FACTOR
SIGMA-E FACTOR
NEGATIVE REGULATORY
PROTEIN

(Escherichia
coli;
Escherichia
coli) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
PF03872
(RseA_N) 		4 HIS C  37
ARG A 149
ARG A 178
THR A   6
 None
 1.30A 5db5A-1or7C:
undetectable
5db5B-1or7C:
undetectable		 5db5A-1or7C:
12.46
5db5B-1or7C:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 5 ALA B  11
HIS B 104
ASN B 155
LYS B 206
ARG B 354
 None
PLP  B 764 (-3.6A)
PLP  B 764 (-4.4A)
PLP  B 764 (-1.4A)
None
 0.67A 5db5A-1p3wB:
42.1
5db5B-1p3wB:
41.9		 5db5A-1p3wB:
28.34
5db5B-1p3wB:
28.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		6 ALA A  36
HIS A 128
ASN A 180
LYS A 231
ARG A 367
ARG A 387
 GOL  A 603 (-3.5A)
PLP  A 600 ( 3.6A)
GOL  A 603 ( 3.8A)
PLP  A 600 (-1.2A)
GOL  A 603 (-4.4A)
GOL  A 603 (-2.8A)
 0.37A 5db5A-1t3iA:
58.8
5db5B-1t3iA:
59.3		 5db5A-1t3iA:
48.19
5db5B-1t3iA:
48.19
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		4 ALA A 389
HIS A  65
HIS A 140
THR A 117
 None
 1.13A 5db5A-1xr4A:
5.3
5db5B-1xr4A:
4.6		 5db5A-1xr4A:
22.41
5db5B-1xr4A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 ALA A 322
HIS A  82
HIS A 272
THR A 297
 None
ZN  A1601 (-3.4A)
None
None
 1.22A 5db5A-2bb0A:
undetectable
5db5B-2bb0A:
undetectable		 5db5A-2bb0A:
22.22
5db5B-2bb0A:
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		4 ALA A 287
HIS A 280
ASN A 285
HIS A  62
 None
 1.31A 5db5A-2c4mA:
undetectable
5db5B-2c4mA:
undetectable		 5db5A-2c4mA:
20.62
5db5B-2c4mA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		4 ALA A 245
ASN A 268
HIS A 262
THR A 260
 None
 1.20A 5db5A-2i5bA:
undetectable
5db5B-2i5bA:
undetectable		 5db5A-2i5bA:
21.51
5db5B-2i5bA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 HIS A 849
ARG A 613
ARG A 615
HIS A 192
 MGD  A1986 (-3.6A)
MD1  A1987 (-3.9A)
MD1  A1987 (-3.1A)
ACT  A1978 ( 3.9A)
 1.15A 5db5A-2ivfA:
undetectable
5db5B-2ivfA:
undetectable		 5db5A-2ivfA:
16.93
5db5B-2ivfA:
16.93
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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 ALA A 148
HIS A 109
ASN A 153
HIS A 231
 None
ZN  A 401 (-3.2A)
None
ZN  A 403 (-3.3A)
 1.20A 5db5A-2nq9A:
undetectable
5db5B-2nq9A:
undetectable		 5db5A-2nq9A:
21.89
5db5B-2nq9A:
21.89
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.
2obx 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE
1

(Mesorhizobium
loti) 		PF00885
(DMRL_synthase) 		4 ALA A  55
HIS A  22
HIS A  88
THR A 116
 INI  A 201 (-3.4A)
INI  A 201 ( 4.9A)
None
None
 1.30A 5db5A-2obxA:
undetectable
5db5B-2obxA:
undetectable		 5db5A-2obxA:
18.70
5db5B-2obxA:
18.70
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.
2oum 50S RIBOSOMAL
PROTEIN L1

(Thermus
thermophilus) 		PF00687
(Ribosomal_L1) 		4 ALA A 186
HIS A  66
ASN A 188
ARG A 190
 None
 1.24A 5db5A-2oumA:
undetectable
5db5B-2oumA:
undetectable		 5db5A-2oumA:
15.97
5db5B-2oumA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		4 ALA A 474
ASN A 181
ARG A 478
ARG A 407
 None
 1.26A 5db5A-2qqpA:
undetectable
5db5B-2qqpA:
undetectable		 5db5A-2qqpA:
22.14
5db5B-2qqpA:
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.
2x9p PIMD PROTEIN

(Streptomyces
natalensis) 		PF00067
(p450) 		4 ALA A 278
HIS A 336
ASN A 315
ARG A 279
 None
SO4  A1401 ( 4.7A)
None
None
 1.20A 5db5A-2x9pA:
undetectable
5db5B-2x9pA:
undetectable		 5db5A-2x9pA:
23.58
5db5B-2x9pA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 ALA A  72
HIS A  76
ARG A  28
HIS A 186
 None
 1.02A 5db5A-2yeqA:
undetectable
5db5B-2yeqA:
undetectable		 5db5A-2yeqA:
21.26
5db5B-2yeqA:
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.
3a9x SELENOCYSTEINE LYASE

(Rattus
norvegicus) 		PF00266
(Aminotran_5) 		5 ALA A  26
HIS A 133
ASN A 186
LYS A 247
ARG A 402
 None
PLP  A 501 (-3.4A)
PLP  A 501 (-3.5A)
PLP  A 501 (-1.4A)
None
 1.08A 5db5A-3a9xA:
39.9
5db5B-3a9xA:
39.7		 5db5A-3a9xA:
27.18
5db5B-3a9xA:
27.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ceu THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Bacteroides
thetaiotaomicron) 		PF02581
(TMP-TENI) 		4 ALA A  78
HIS A  75
ARG A  79
HIS A  96
 None
 1.26A 5db5A-3ceuA:
undetectable
5db5B-3ceuA:
undetectable		 5db5A-3ceuA:
17.80
5db5B-3ceuA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		4 ALA X  11
ARG X 354
ARG X  15
THR X 440
 None
 1.24A 5db5A-3dwoX:
undetectable
5db5B-3dwoX:
undetectable		 5db5A-3dwoX:
24.49
5db5B-3dwoX:
24.49
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.
3f2i ALR0221 PROTEIN

(Nostoc sp. PCC
7120) 		PF00300
(His_Phos_1) 		4 ALA A  11
HIS A 110
ARG A  23
THR A  61
 None
PO4  A 201 (-3.9A)
None
None
 1.30A 5db5A-3f2iA:
undetectable
5db5B-3f2iA:
undetectable		 5db5A-3f2iA:
20.30
5db5B-3f2iA:
20.30
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.
3gzd SELENOCYSTEINE LYASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		5 ALA C  38
HIS C 145
ASN C 198
LYS C 259
ARG C 415
 NO3  C 600 (-3.6A)
PLR  C 500 (-3.7A)
NO3  C 600 (-3.5A)
PLR  C 500 (-1.3A)
NO3  C 600 (-3.1A)
 0.63A 5db5A-3gzdC:
40.1
5db5B-3gzdC:
40.0		 5db5A-3gzdC:
27.62
5db5B-3gzdC:
27.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7k AGMATINE DEIMINASE

(Arabidopsis
thaliana) 		PF04371
(PAD_porph) 		4 HIS A  22
ASN A 318
HIS A 365
THR A 368
 None
None
AGT  A 366 ( 4.8A)
None
 1.31A 5db5A-3h7kA:
undetectable
5db5B-3h7kA:
undetectable		 5db5A-3h7kA:
21.59
5db5B-3h7kA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipj PTS SYSTEM, IIABC
COMPONENT

(Clostridioides
difficile) 		PF00367
(PTS_EIIB) 		4 ALA A  77
HIS A  27
ASN A  73
THR A  86
 None
 1.24A 5db5A-3ipjA:
undetectable
5db5B-3ipjA:
undetectable		 5db5A-3ipjA:
13.67
5db5B-3ipjA:
13.67
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		4 ALA A1922
HIS A1915
ASN A1920
THR A1881
 None
 1.32A 5db5A-3jbzA:
undetectable
5db5B-3jbzA:
undetectable		 5db5A-3jbzA:
17.11
5db5B-3jbzA:
17.11
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 ALA A 549
HIS A 593
HIS A 519
THR A 522
 None
PO4  A 844 (-3.3A)
NI  A 842 (-3.2A)
None
 1.26A 5db5A-3la4A:
undetectable
5db5B-3la4A:
undetectable		 5db5A-3la4A:
17.89
5db5B-3la4A:
17.89
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.
3lwu SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Shewanella
frigidimarina) 		PF04952
(AstE_AspA) 		4 ALA A 210
HIS A  44
ASN A 100
ARG A 103
 None
ZN  A 374 (-3.1A)
None
None
 1.21A 5db5A-3lwuA:
undetectable
5db5B-3lwuA:
undetectable		 5db5A-3lwuA:
23.52
5db5B-3lwuA:
23.52
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		4 ALA A 105
ASN A 333
ARG A 109
HIS A  98
 None
 1.28A 5db5A-3nzqA:
undetectable
5db5B-3nzqA:
undetectable		 5db5A-3nzqA:
20.99
5db5B-3nzqA:
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.
3oc7 ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 ALA A  66
HIS A  59
ARG A  28
HIS A 114
 None
 1.25A 5db5A-3oc7A:
undetectable
5db5B-3oc7A:
undetectable		 5db5A-3oc7A:
22.44
5db5B-3oc7A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oc7 ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 ALA A  66
HIS A  59
ASN A  29
ARG A  28
 None
 1.08A 5db5A-3oc7A:
undetectable
5db5B-3oc7A:
undetectable		 5db5A-3oc7A:
22.44
5db5B-3oc7A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poh ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1

(Bacteroides
thetaiotaomicron) 		PF08522
(DUF1735) 		4 ASN A 305
LYS A 348
ARG A 263
THR A 149
 None
 1.20A 5db5A-3pohA:
undetectable
5db5B-3pohA:
undetectable		 5db5A-3pohA:
21.37
5db5B-3pohA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qe7 URACIL PERMEASE

(Escherichia
coli) 		PF00860
(Xan_ur_permease) 		4 ALA A  67
HIS A  24
ASN A 291
THR A 303
 None
 1.28A 5db5A-3qe7A:
undetectable
5db5B-3qe7A:
undetectable		 5db5A-3qe7A:
23.25
5db5B-3qe7A:
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.
3qlb ENANTIO-PYOCHELIN
RECEPTOR

(Pseudomonas
fluorescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ALA A 118
HIS A 304
ASN A 306
THR A 337
 None
 1.32A 5db5A-3qlbA:
undetectable
5db5B-3qlbA:
undetectable		 5db5A-3qlbA:
21.48
5db5B-3qlbA:
21.48
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		4 ALA A 353
HIS A 327
HIS A 358
THR A 304
 None
 1.29A 5db5A-3qp9A:
undetectable
5db5B-3qp9A:
undetectable		 5db5A-3qp9A:
24.12
5db5B-3qp9A:
24.12
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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 4 ALA A 193
HIS A 130
ASN A 148
THR A 242
 None
CUK  A 702 (-3.2A)
None
None
 1.20A 5db5A-3sbqA:
undetectable
5db5B-3sbqA:
undetectable		 5db5A-3sbqA:
21.34
5db5B-3sbqA:
21.34
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.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A 385
ASN A 142
HIS A 359
THR A 388
 None
 1.11A 5db5A-3uj2A:
undetectable
5db5B-3uj2A:
undetectable		 5db5A-3uj2A:
23.58
5db5B-3uj2A:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		4 HIS A 369
ARG A 389
HIS A 415
THR A 609
 XYP  A 706 (-4.6A)
XYP  A 706 (-3.5A)
None
None
 1.31A 5db5A-3vsvA:
undetectable
5db5B-3vsvA:
undetectable		 5db5A-3vsvA:
21.16
5db5B-3vsvA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis) 		PF00232
(Glyco_hydro_1) 		4 HIS A 443
ASN A 417
ARG A 436
THR A 384
 None
 1.26A 5db5A-3wq4A:
undetectable
5db5B-3wq4A:
undetectable		 5db5A-3wq4A:
21.80
5db5B-3wq4A:
21.80
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.
3wyf GSP1P

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		4 ALA A 135
ARG A 131
HIS A 141
THR A 139
 None
 1.29A 5db5A-3wyfA:
3.7
5db5B-3wyfA:
undetectable		 5db5A-3wyfA:
20.51
5db5B-3wyfA:
20.51
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.
4arx PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 ALA A 245
ASN A 249
HIS A 457
THR A  43
 None
 1.09A 5db5A-4arxA:
undetectable
5db5B-4arxA:
undetectable		 5db5A-4arxA:
21.31
5db5B-4arxA:
21.31
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.
4b0n POLYKETIDE SYNTHASE
III

(Ectocarpus
siliculosus) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 ALA A 244
ASN A 364
ARG A  91
HIS A 240
 None
None
ACD  A1416 (-3.4A)
ACD  A1416 (-3.9A)
 1.23A 5db5A-4b0nA:
undetectable
5db5B-4b0nA:
undetectable		 5db5A-4b0nA:
21.14
5db5B-4b0nA:
21.14
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.
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Mus musculus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 ASN A1144
ARG A1145
ARG A1148
THR A1021
 SO4  A 612 (-4.0A)
None
None
None
 1.20A 5db5A-4dklA:
undetectable
5db5B-4dklA:
undetectable		 5db5A-4dklA:
20.25
5db5B-4dklA:
20.25
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.
4e10 PROTELOMERASE

(Agrobacterium
fabrum) 		PF16684
(Telomere_res) 		4 HIS A 367
ARG A 255
HIS A 394
THR A 401
 PTR  A 405 ( 3.5A)
PTR  A 405 ( 4.2A)
PTR  A 405 ( 3.9A)
DT  A 501 (-2.9A)
 1.31A 5db5A-4e10A:
undetectable
5db5B-4e10A:
undetectable		 5db5A-4e10A:
21.38
5db5B-4e10A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g2n D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE,
NAD-BINDING

(Polaromonas sp.
JS666) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ALA A  78
HIS A  86
HIS A 101
THR A 102
 None
 1.21A 5db5A-4g2nA:
2.6
5db5B-4g2nA:
undetectable		 5db5A-4g2nA:
24.21
5db5B-4g2nA:
24.21
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.
4hh1 APPA PROTEIN

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		4 ALA A 299
ASN A  87
HIS A 264
THR A 220
 None
 1.07A 5db5A-4hh1A:
3.3
5db5B-4hh1A:
2.3		 5db5A-4hh1A:
22.91
5db5B-4hh1A:
22.91
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.
4hpp PROBABLE GLUTAMINE
SYNTHETASE

(Pseudomonas
aeruginosa) 		PF00120
(Gln-synt_C)
PF16952
(Gln-synt_N_2) 		4 ALA A 202
HIS A  93
ASN A 204
ARG A 206
 None
 1.27A 5db5A-4hppA:
undetectable
5db5B-4hppA:
undetectable		 5db5A-4hppA:
22.90
5db5B-4hppA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isy CYSTEINE DESULFURASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		4 ALA A   8
HIS A 100
ASN A 154
ARG A 355
 None
LLP  A 205 ( 3.6A)
LLP  A 205 ( 4.3A)
None
 0.51A 5db5A-4isyA:
41.9
5db5B-4isyA:
41.7		 5db5A-4isyA:
27.54
5db5B-4isyA:
27.54
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.
4ixo NIFS-LIKE PROTEIN

(Rickettsia
africae) 		PF00266
(Aminotran_5) 		4 ALA A   8
HIS A  95
ASN A 145
ARG A 344
 None
LLP  A 196 ( 3.6A)
LLP  A 196 ( 4.2A)
None
 0.39A 5db5A-4ixoA:
40.4
5db5B-4ixoA:
40.1		 5db5A-4ixoA:
25.84
5db5B-4ixoA:
25.84
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.
4kds PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Oncorhynchus
mykiss) 		PF00079
(Serpin) 		4 ALA A 331
ASN A 161
HIS A 164
THR A 138
 None
 1.08A 5db5A-4kdsA:
undetectable
5db5B-4kdsA:
undetectable		 5db5A-4kdsA:
22.45
5db5B-4kdsA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		4 ALA A 177
HIS A 149
HIS A 205
THR A  95
 None
 1.24A 5db5A-4m3nA:
undetectable
5db5B-4m3nA:
undetectable		 5db5A-4m3nA:
18.31
5db5B-4m3nA:
18.31
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.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		4 ALA A 222
HIS A  41
ARG A  32
HIS A  53
 None
MLI  A 502 (-4.2A)
None
None
 1.26A 5db5A-4m9dA:
undetectable
5db5B-4m9dA:
undetectable		 5db5A-4m9dA:
22.72
5db5B-4m9dA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		4 ALA A 241
ASN A 246
HIS A 331
THR A 280
 None
 1.06A 5db5A-4o5pA:
undetectable
5db5B-4o5pA:
undetectable		 5db5A-4o5pA:
18.63
5db5B-4o5pA:
18.63
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ALA A 310
ASN A 359
HIS A 388
THR A 307
 None
 1.27A 5db5A-4o9xA:
undetectable
5db5B-4o9xA:
undetectable		 5db5A-4o9xA:
10.79
5db5B-4o9xA:
10.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q76 CYSTEINE DESULFURASE
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00266
(Aminotran_5) 		5 ALA A  46
HIS A 138
ASN A 190
ARG A 379
ARG A 399
 None
LLP  A 241 ( 3.6A)
LLP  A 241 ( 3.9A)
None
None
 0.66A 5db5A-4q76A:
58.3
5db5B-4q76A:
58.7		 5db5A-4q76A:
46.56
5db5B-4q76A:
46.56
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.
4unw H3 HAEMAGGLUTININ
HA1 CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 HIS A  75
ASN A  96
ARG A 224
THR A  65
 None
 1.10A 5db5A-4unwA:
undetectable
5db5B-4unwA:
undetectable		 5db5A-4unwA:
21.23
5db5B-4unwA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1a MITORIBOSOMAL
PROTEIN ML48, MRPL48

(Sus scrofa) 		no annotation 4 ALA k 126
ARG k 155
HIS k 153
THR k 129
 None
 1.27A 5db5A-4v1ak:
undetectable
5db5B-4v1ak:
undetectable		 5db5A-4v1ak:
20.34
5db5B-4v1ak:
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 ALA A 245
ASN A 249
HIS A 457
THR A  43
 None
 1.15A 5db5A-4w8jA:
undetectable
5db5B-4w8jA:
undetectable		 5db5A-4w8jA:
16.30
5db5B-4w8jA:
16.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		5 ALA A  39
HIS A 131
ASN A 183
ARG A 367
ARG A 387
 None
LLP  A 234 ( 3.5A)
LLP  A 234 ( 4.5A)
None
None
 0.38A 5db5A-4w91A:
58.8
5db5B-4w91A:
60.0		 5db5A-4w91A:
44.92
5db5B-4w91A:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		4 HIS A 131
ASN A 183
ARG A 387
THR A 231
 LLP  A 234 ( 3.5A)
LLP  A 234 ( 4.5A)
None
LLP  A 234 ( 2.7A)
 1.26A 5db5A-4w91A:
58.8
5db5B-4w91A:
60.0		 5db5A-4w91A:
44.92
5db5B-4w91A:
44.92
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.
4wab PROSTAGLANDIN E
SYNTHASE,LEUKOTRIENE
C4 SYNTHASE

(Homo sapiens) 		PF01124
(MAPEG) 		4 HIS A 113
ASN A  74
ARG A  70
ARG A  73
 GSH  A 201 (-4.1A)
GSH  A 201 (-3.7A)
None
GSH  A 201 (-3.7A)
 1.21A 5db5A-4wabA:
undetectable
5db5B-4wabA:
undetectable		 5db5A-4wabA:
21.37
5db5B-4wabA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 ALA A 159
HIS A  90
ARG A 155
THR A  77
 DKA  C 601 (-3.9A)
None
None
None
 1.01A 5db5A-4yfaA:
undetectable
5db5B-4yfaA:
undetectable		 5db5A-4yfaA:
19.21
5db5B-4yfaA:
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.
4yl0 PROSTAGLANDIN E
SYNTHASE

(Homo sapiens) 		PF01124
(MAPEG) 		4 HIS A 113
ASN A  74
ARG A  70
ARG A  73
 GSH  A 202 (-4.0A)
GSH  A 202 (-3.6A)
None
GSH  A 202 (-3.3A)
 1.29A 5db5A-4yl0A:
undetectable
5db5B-4yl0A:
undetectable		 5db5A-4yl0A:
17.24
5db5B-4yl0A:
17.24
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.
5anb EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6
ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1

(Dictyostelium
discoideum;
Homo sapiens) 		PF01912
(eIF-6)
PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF14492
(EFG_II) 		4 ALA I 183
LYS K 493
HIS I 162
THR I 165
 None
 1.32A 5db5A-5anbI:
undetectable
5db5B-5anbI:
undetectable		 5db5A-5anbI:
19.61
5db5B-5anbI:
19.61
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.
5b57 HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Burkholderia
cenocepacia) 		PF00005
(ABC_tran) 		4 ALA C 219
HIS C 192
HIS C 214
THR C 183
 None
 1.21A 5db5A-5b57C:
undetectable
5db5B-5b57C:
undetectable		 5db5A-5b57C:
23.19
5db5B-5b57C:
23.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b7s CYSTEINE DESULFURASE

(Thermococcus
onnurineus) 		PF00266
(Aminotran_5) 		5 ALA A  24
HIS A 114
ASN A 165
ARG A 351
ARG A 371
 None
LLP  A 216 ( 3.4A)
LLP  A 216 ( 3.8A)
None
None
 0.58A 5db5A-5b7sA:
53.0
5db5B-5b7sA:
55.2		 5db5A-5b7sA:
40.81
5db5B-5b7sA:
40.81
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 ALA A 159
HIS A  90
ARG A 155
THR A  77
 None
 1.03A 5db5A-5c9iA:
undetectable
5db5B-5c9iA:
undetectable		 5db5A-5c9iA:
20.79
5db5B-5c9iA:
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.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		4 ALA A 321
ARG A 324
HIS A 280
THR A 310
 None
 1.22A 5db5A-5dkvA:
4.0
5db5B-5dkvA:
3.7		 5db5A-5dkvA:
22.58
5db5B-5dkvA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 ALA C 279
HIS C 323
HIS C 249
THR C 252
 None
SO4  C1579 (-3.4A)
NI  C 600 ( 3.2A)
None
 1.26A 5db5A-5fseC:
undetectable
5db5B-5fseC:
undetectable		 5db5A-5fseC:
23.64
5db5B-5fseC:
23.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		6 ALA A  27
HIS A 119
ASN A 171
LYS A 222
ARG A 353
ARG A 373
 None
PLP  A1222 (-3.4A)
PLP  A1222 (-4.3A)
PLP  A1222 (-1.3A)
None
None
 0.51A 5db5A-5ft6A:
52.4
5db5B-5ft6A:
53.9		 5db5A-5ft6A:
44.31
5db5B-5ft6A:
44.31
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.
5ie2 OXALATE--COA LIGASE

(Arabidopsis
thaliana) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ALA A 237
ASN A  65
ARG A 239
THR A 244
 None
 1.15A 5db5A-5ie2A:
undetectable
5db5B-5ie2A:
3.3		 5db5A-5ie2A:
24.34
5db5B-5ie2A:
24.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j8q CYSTEINE DESULFURASE
SUFS

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		6 ALA A  29
HIS A 121
ASN A 173
LYS A 224
ARG A 356
ARG A 376
 ALA  A 502 (-3.6A)
PLP  A 501 ( 3.5A)
ALA  A 502 ( 3.9A)
PLP  A 501 (-1.2A)
None
ALA  A 502 (-2.8A)
 0.41A 5db5A-5j8qA:
59.5
5db5B-5j8qA:
59.7		 5db5A-5j8qA:
47.27
5db5B-5j8qA:
47.27
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.
5jk0 TYROSINE RECOMBINASE
XERH

(Helicobacter
pylori) 		PF00589
(Phage_integrase) 		4 HIS A 313
ARG A 213
HIS A 335
THR A 340
 None
 1.30A 5db5A-5jk0A:
undetectable
5db5B-5jk0A:
undetectable		 5db5A-5jk0A:
23.09
5db5B-5jk0A:
23.09
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.
5kan HEMAGGLUTININ HA1

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 HIS A  75
ASN A  96
ARG A 224
THR A  65
 None
 1.25A 5db5A-5kanA:
undetectable
5db5B-5kanA:
undetectable		 5db5A-5kanA:
20.62
5db5B-5kanA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ALA A 471
HIS A 430
HIS A 482
THR A 486
 None
MN  A 604 (-3.4A)
None
None
 1.11A 5db5A-5kgnA:
2.3
5db5B-5kgnA:
undetectable		 5db5A-5kgnA:
23.47
5db5B-5kgnA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 ALA A 255
HIS A 401
ASN A 260
ARG A 259
 None
 1.20A 5db5A-5li8A:
undetectable
5db5B-5li8A:
undetectable		 5db5A-5li8A:
23.76
5db5B-5li8A:
23.76
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 HIS A 106
ASN A 107
ARG A  32
HIS A 159
 None
 1.13A 5db5A-5n8oA:
undetectable
5db5B-5n8oA:
undetectable		 5db5A-5n8oA:
13.28
5db5B-5n8oA:
13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5noa FAMILY 88 GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF07470
(Glyco_hydro_88) 		4 HIS A  87
ASN A  88
LYS A  94
ARG A  53
 None
 1.24A 5db5A-5noaA:
undetectable
5db5B-5noaA:
undetectable		 5db5A-5noaA:
23.06
5db5B-5noaA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5umn HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 HIS A  75
ASN A  96
ARG A 224
THR A  65
 None
 1.08A 5db5A-5umnA:
undetectable
5db5B-5umnA:
undetectable		 5db5A-5umnA:
20.33
5db5B-5umnA:
20.33
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.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 ALA A 393
HIS A 398
ARG A  38
THR A 185
 None
 1.18A 5db5A-5w4bA:
undetectable
5db5B-5w4bA:
undetectable		 5db5A-5w4bA:
21.13
5db5B-5w4bA:
21.13
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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 5 ALA A  11
HIS A 104
ASN A 155
LYS A 206
ARG A 354
 C6P  A 502 ( 4.1A)
C6P  A 502 (-3.4A)
C6P  A 502 (-3.8A)
C6P  A 502 (-2.9A)
C6P  A 502 (-3.8A)
 0.77A 5db5A-5wt4A:
40.0
5db5B-5wt4A:
40.1		 5db5A-5wt4A:
undetectable
5db5B-5wt4A:
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.
5x41 COBALT TRANSPORT
PROTEIN CBIM

(Rhodobacter
capsulatus) 		no annotation 4 ALA M 116
HIS M   2
ASN M 111
THR M  73
 None
 1.08A 5db5A-5x41M:
undetectable
5db5B-5x41M:
undetectable		 5db5A-5x41M:
22.52
5db5B-5x41M:
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		4 ALA A 957
ASN A 900
ARG A 667
THR A 687
 None
 0.87A 5db5A-5x7sA:
undetectable
5db5B-5x7sA:
undetectable		 5db5A-5x7sA:
15.27
5db5B-5x7sA:
15.27
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.
5xmr SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
vivax) 		no annotation 4 HIS A 129
ARG A 371
HIS A 236
THR A 234
 PLG  A 501 ( 3.5A)
PLG  A 501 (-3.1A)
PLG  A 501 (-4.1A)
PLG  A 501 ( 4.7A)
 1.31A 5db5A-5xmrA:
29.3
5db5B-5xmrA:
28.1		 5db5A-5xmrA:
21.82
5db5B-5xmrA:
21.82
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.
5xrt -

(-) 		no annotation 4 HIS A  75
ASN A  96
ARG A 224
THR A  65
 None
 1.18A 5db5A-5xrtA:
undetectable
5db5B-5xrtA:
undetectable		 5db5A-5xrtA:
undetectable
5db5B-5xrtA:
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.
5yqr ENDOLYSIN/MEMBRANE-A
NCHORED
LIPID-BINDING
PROTEIN LAM6 FUSION
PROTEIN

(Saccharomyces
cerevisiae;
Escherichia
virus T4) 		no annotation 4 ASN A 144
ARG A 145
ARG A 148
THR A  21
 None
 1.32A 5db5A-5yqrA:
undetectable
5db5B-5yqrA:
undetectable		 5db5A-5yqrA:
undetectable
5db5B-5yqrA:
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.
5z43 AMBP1

(Fischerella
ambigua) 		no annotation 4 ALA A 252
ASN A 250
ARG A 233
THR A  47
 None
 1.27A 5db5A-5z43A:
undetectable
5db5B-5z43A:
undetectable		 5db5A-5z43A:
undetectable
5db5B-5z43A:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT A
ALTERNATIVE COMPLEX
III SUBUNIT E

(Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae) 		no annotation
no annotation 		4 ALA E 154
HIS E 158
ASN A 296
HIS E 112
 HEC  E 201 ( 3.8A)
HEC  E 201 ( 4.2A)
None
HEC  E 201 (-3.2A)
 1.17A 5db5A-6btmE:
undetectable
5db5B-6btmE:
undetectable		 5db5A-6btmE:
undetectable
5db5B-6btmE:
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.
6c9e CYSTEINE DESULFURASE

(Legionella
pneumophila) 		no annotation 5 ALA A  39
HIS A 131
ASN A 183
ARG A 367
ARG A 387
 EDO  A 503 (-3.5A)
LLP  A 234 ( 3.5A)
EDO  A 503 (-3.8A)
EDO  A 503 (-4.4A)
EDO  A 503 (-2.9A)
 0.58A 5db5A-6c9eA:
32.7
5db5B-6c9eA:
61.1		 5db5A-6c9eA:
undetectable
5db5B-6c9eA:
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.
6cxh PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE, C
SUBUNIT

(Methylomicrobium
alcaliphilum;
Methylomicrobium
alcaliphilum) 		no annotation
no annotation 		4 ASN C 235
ARG A 216
HIS C 103
THR C 173
 None
 1.27A 5db5A-6cxhC:
undetectable
5db5B-6cxhC:
undetectable		 5db5A-6cxhC:
undetectable
5db5B-6cxhC:
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.
6ez8 HUNTINGTIN
FACTOR VIII INTRON
22 PROTEIN

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 HIS A2906
ARG A2960
HIS A2909
THR B 198
 None
 1.23A 5db5A-6ez8A:
undetectable
5db5B-6ez8A:
undetectable		 5db5A-6ez8A:
undetectable
5db5B-6ez8A:
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.
6fea NITROGENASE PROTEIN
ALPHA CHAIN

(Azotobacter
vinelandii) 		no annotation 4 ALA A 258
ASN A 266
ARG A 276
HIS A 364
 None
 1.14A 5db5A-6feaA:
undetectable
5db5B-6feaA:
undetectable		 5db5A-6feaA:
undetectable
5db5B-6feaA:
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.
6fi2 VEXL

(Achromobacter
denitrificans) 		no annotation 4 ALA A 382
HIS A 136
ASN A 384
THR A 389
 None
 1.32A 5db5A-6fi2A:
undetectable
5db5B-6fi2A:
undetectable		 5db5A-6fi2A:
undetectable
5db5B-6fi2A:
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.
6gdr -

(-) 		no annotation 4 ALA A 162
ASN A 158
LYS A 153
ARG A 129
 None
 1.21A 5db5A-6gdrA:
undetectable
5db5B-6gdrA:
undetectable		 5db5A-6gdrA:
undetectable
5db5B-6gdrA:
undetectable