SIMILAR PATTERNS OF AMINO ACIDS FOR 4GC9_A_SAMA401

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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		6 GLN A   1
LEU A 312
GLY A 316
ILE A 311
VAL A 202
LEU A   3
 None
 1.18A 4gc9A-1amyA:
undetectable		 4gc9A-1amyA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		5 LEU A 262
GLY A 116
GLY A 113
LEU A 265
VAL A 246
 None
None
LLP  A 253 ( 3.6A)
None
None
 1.02A 4gc9A-1bw0A:
undetectable		 4gc9A-1bw0A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dt2 EXFOLIATIVE TOXIN B

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 GLY A  52
GLY A 189
ILE A  55
VAL A  42
VAL A  66
 None
 0.95A 4gc9A-1dt2A:
undetectable		 4gc9A-1dt2A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 GLY A  63
GLY A  65
ILE A  69
ASN A 129
PRO A 131
 None
 0.73A 4gc9A-1dusA:
10.3		 4gc9A-1dusA:
19.94
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 304
ILE A 352
LEU A 683
PRO A 684
VAL A 687
 MGD  A5002 (-3.6A)
None
None
None
None
 0.71A 4gc9A-1g8kA:
2.8		 4gc9A-1g8kA:
18.11
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.
1hyq CELL DIVISION
INHIBITOR (MIND-1)

(Archaeoglobus
fulgidus) 		PF01656
(CbiA) 		5 GLY A  78
GLY A  76
LEU A 214
PRO A 211
VAL A 213
 None
 0.93A 4gc9A-1hyqA:
undetectable		 4gc9A-1hyqA:
22.95
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.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  79
GLY A  81
PRO A  82
VAL A 159
VAL A 187
 SAH  A2002 (-4.0A)
SAH  A2002 (-3.0A)
None
SAH  A2002 (-3.5A)
SAH  A2002 (-4.3A)
 1.02A 4gc9A-1n7jA:
7.8		 4gc9A-1n7jA:
21.35
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPG-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00117
(GATase) 		5 GLY B  54
PRO B  55
ILE B  64
ASN B  33
VAL B  30
 None
 0.77A 4gc9A-1qdlB:
undetectable		 4gc9A-1qdlB:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 LEU A  20
GLY A  45
GLY A  47
ASN A 113
PRO A 115
 None
 0.69A 4gc9A-1qyrA:
27.1		 4gc9A-1qyrA:
30.82
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.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		5 GLY A 129
GLY A 131
ILE A 135
ASN A 197
PRO A 199
 SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-4.8A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.50A 4gc9A-1sg9A:
9.7		 4gc9A-1sg9A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 222
GLY A 219
ILE A 257
VAL A 296
VAL A 193
 None
NAD  A 430 (-3.4A)
None
None
None
 0.94A 4gc9A-1v9lA:
undetectable		 4gc9A-1v9lA:
22.07
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.
1ve2 UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		5 GLY A  95
GLY A  93
ILE A  67
LEU A   7
VAL A 111
 None
 1.03A 4gc9A-1ve2A:
undetectable		 4gc9A-1ve2A:
21.35
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.
1vpd TARTRONATE
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A   9
GLY A  14
ILE A  63
LEU A  66
PRO A  67
 None
 0.98A 4gc9A-1vpdA:
3.6		 4gc9A-1vpdA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLY A  57
GLY A  59
VAL A 106
ASN A 119
PRO A 121
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.6A)
None
 0.78A 4gc9A-1wy7A:
13.1		 4gc9A-1wy7A:
22.82
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.
1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF02581
(TMP-TENI) 		5 LEU A  84
ILE A  91
VAL A 153
LEU A 124
VAL A 157
 None
 1.04A 4gc9A-1xi3A:
undetectable		 4gc9A-1xi3A:
23.99
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF04744
(Monooxygenase_B)
PF02461
(AMO) 		5 GLY B 151
GLY B 127
PRO B 126
ILE A 244
LEU B 154
 None
 1.04A 4gc9A-1yewB:
undetectable		 4gc9A-1yewB:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 LEU A  39
GLY A  64
GLY A  66
VAL A 114
PRO A 130
 None
SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
SAM  A4000 (-3.9A)
SAM  A4000 (-4.1A)
 0.84A 4gc9A-1zq9A:
25.3		 4gc9A-1zq9A:
30.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 LEU A  39
GLY A  64
VAL A 114
LEU A 129
PRO A 130
 None
SAM  A4000 (-3.1A)
SAM  A4000 (-3.9A)
None
SAM  A4000 (-4.1A)
 1.04A 4gc9A-1zq9A:
25.3		 4gc9A-1zq9A:
30.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 LEU A  39
GLY A  66
VAL A 114
ASN A 128
PRO A 130
 None
SAM  A4000 (-3.2A)
SAM  A4000 (-3.9A)
SAM  A4000 (-2.7A)
SAM  A4000 (-4.1A)
 0.84A 4gc9A-1zq9A:
25.3		 4gc9A-1zq9A:
30.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 LEU A  39
VAL A 114
ASN A 128
LEU A 129
PRO A 130
 None
SAM  A4000 (-3.9A)
SAM  A4000 (-2.7A)
None
SAM  A4000 (-4.1A)
 0.97A 4gc9A-1zq9A:
25.3		 4gc9A-1zq9A:
30.33
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A 117
GLY A 119
ILE A 123
ASN A 183
PRO A 185
 SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
None
SAH  A 300 (-3.9A)
SAH  A 300 ( 3.9A)
 0.40A 4gc9A-2b3tA:
10.0		 4gc9A-2b3tA:
20.61
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.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		5 GLY A  15
GLY A  13
ILE A  49
VAL A  91
VAL A 217
 None
NAP  A 800 (-3.5A)
None
None
None
 0.97A 4gc9A-2bd0A:
5.4		 4gc9A-2bd0A:
22.47
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.
2d0i DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 153
GLY A 155
ILE A 161
LEU A 208
PRO A 209
 None
 0.98A 4gc9A-2d0iA:
4.8		 4gc9A-2d0iA:
25.19
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.
2d0i DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 153
GLY A 158
ILE A 205
LEU A 208
PRO A 209
 None
 0.85A 4gc9A-2d0iA:
4.8		 4gc9A-2d0iA:
25.19
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.
2djy SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00397
(WW) 		5 GLY A 295
GLY A 297
PRO A 298
ILE A 305
LEU A 330
 None
 0.99A 4gc9A-2djyA:
undetectable		 4gc9A-2djyA:
9.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ew7 PEPTIDE DEFORMYLASE

(Helicobacter
pylori) 		PF01327
(Pep_deformylase) 		5 GLY A  44
ILE A  60
ASN A  62
LEU A  63
PRO A  64
 None
 0.99A 4gc9A-2ew7A:
undetectable		 4gc9A-2ew7A:
21.84
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.
2gf2 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A  46
GLY A  51
ILE A 100
LEU A 103
PRO A 104
 None
 1.03A 4gc9A-2gf2A:
4.0		 4gc9A-2gf2A:
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.
2ghp U4/U6
SNRNA-ASSOCIATED
SPLICING FACTOR
PRP24

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		5 ILE A 110
VAL A  57
ASN A  47
LEU A  48
PRO A  49
 None
 0.95A 4gc9A-2ghpA:
undetectable		 4gc9A-2ghpA:
22.19
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.
2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 1

(Mus musculus) 		PF04099
(Sybindin) 		5 LEU C  42
GLY C  60
ILE C  45
LYS C  58
LEU C  62
 None
 1.03A 4gc9A-2j3tC:
undetectable		 4gc9A-2j3tC:
17.73
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.
2knb E3 UBIQUITIN-PROTEIN
LIGASE PARKIN

(Rattus
norvegicus) 		PF00240
(ubiquitin) 		5 GLN A  25
LEU A  54
VAL A  15
LEU A  26
VAL A  29
 None
 0.98A 4gc9A-2knbA:
undetectable		 4gc9A-2knbA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ooc HISTIDINE
PHOSPHOTRANSFERASE

(Caulobacter
vibrioides) 		PF01627
(Hpt) 		5 GLY A  50
PRO A  49
VAL A  58
LEU A  44
VAL A  87
 None
 0.98A 4gc9A-2oocA:
undetectable		 4gc9A-2oocA:
17.31
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.
2ozv HYPOTHETICAL PROTEIN
ATU0636

(Agrobacterium
fabrum) 		PF05175
(MTS) 		5 GLY A  52
GLY A  54
VAL A 107
ASN A 130
PRO A 132
 None
 0.98A 4gc9A-2ozvA:
8.8		 4gc9A-2ozvA:
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.
2pny ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE
2

(Homo sapiens) 		PF00293
(NUDIX) 		5 LEU A  66
ILE A  65
VAL A 215
LEU A 154
VAL A 129
 None
 0.86A 4gc9A-2pnyA:
undetectable		 4gc9A-2pnyA:
23.92
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.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		5 GLY A 136
PRO A 137
VAL A 132
LEU A  31
VAL A   8
 None
None
None
None
FAD  A 500 (-4.8A)
 1.01A 4gc9A-2qa1A:
undetectable		 4gc9A-2qa1A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 GLY A 212
GLY A 209
ILE A 361
VAL A  25
LEU A 335
 None
 1.01A 4gc9A-2qveA:
undetectable		 4gc9A-2qveA:
20.76
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 LEU A 522
GLY A 525
GLY A 613
ILE A 598
VAL A 550
 None
 1.04A 4gc9A-2zxqA:
undetectable		 4gc9A-2zxqA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 GLY A 386
VAL A 376
LEU A 487
PRO A 488
VAL A 491
 None
 0.78A 4gc9A-3a9sA:
undetectable		 4gc9A-3a9sA:
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A   7
GLY A   9
ILE A  15
LEU A  69
PRO A  70
 NAD  A1001 ( 3.8A)
NAD  A1001 (-3.7A)
None
NAD  A1001 (-4.8A)
NAD  A1001 (-3.8A)
 0.86A 4gc9A-3abiA:
4.7		 4gc9A-3abiA:
22.77
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.
3c1o EUGENOL SYNTHASE

(Clarkia breweri) 		PF05368
(NmrA) 		5 GLY A   8
GLY A  14
ILE A  79
LEU A  82
PRO A  83
 NAP  A 401 (-3.6A)
None
None
None
NAP  A 401 (-3.8A)
 1.00A 4gc9A-3c1oA:
4.3		 4gc9A-3c1oA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c24 PUTATIVE
OXIDOREDUCTASE

(Jannaschia sp.
CCS1) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A  17
GLY A  20
ILE A  26
LEU A  74
PRO A  75
 None
 0.93A 4gc9A-3c24A:
undetectable		 4gc9A-3c24A:
21.97
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.
3e77 PHOSPHOSERINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		5 GLY A 203
VAL A 250
LEU A  17
PRO A  18
VAL A  21
 None
 0.74A 4gc9A-3e77A:
undetectable		 4gc9A-3e77A:
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.
3egl DEGV FAMILY PROTEIN

(Corynebacterium
glutamicum) 		PF02645
(DegV) 		5 GLY A 104
GLY A 100
LEU A  13
PRO A  14
VAL A  17
 None
PLM  A 275 ( 4.2A)
None
None
None
 0.96A 4gc9A-3eglA:
undetectable		 4gc9A-3eglA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ez1 AMINOTRANSFERASE
MOCR FAMILY

(Deinococcus
geothermalis) 		PF12897
(Aminotran_MocR) 		5 LEU A 340
GLY A 344
GLY A 186
ILE A 347
LEU A 220
 None
 0.98A 4gc9A-3ez1A:
undetectable		 4gc9A-3ez1A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 LEU A  13
GLY A  38
GLY A  40
ASN A 101
PRO A 103
 SAM  A 300 (-4.0A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
 0.89A 4gc9A-3gryA:
25.9		 4gc9A-3gryA:
28.16
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLN A  76
LEU A  91
GLY A 770
GLY A 767
ASN A  78
 None
 1.00A 4gc9A-3i5gA:
undetectable		 4gc9A-3i5gA:
17.79
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.
3itd 17BETA-HYDROXYSTEROI
D DEHYDROGENASE

(Curvularia
lunata) 		PF13561
(adh_short_C2) 		5 GLY A 238
VAL A 246
LEU A 265
PRO A 197
VAL A 195
 None
 0.99A 4gc9A-3itdA:
5.3		 4gc9A-3itdA:
21.39
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.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 GLY A 223
PRO A 222
LEU A 247
PRO A 181
VAL A 179
 None
 1.01A 4gc9A-3m1aA:
4.9		 4gc9A-3m1aA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF13847
(Methyltransf_31) 		5 GLY A 262
ILE A 136
VAL A 175
LEU A 182
PRO A 181
 None
 1.04A 4gc9A-3mggA:
9.8		 4gc9A-3mggA:
23.42
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.
3pp8 GLYOXYLATE/HYDROXYPY
RUVATE REDUCTASE A

(Salmonella
enterica) 		PF02826
(2-Hacid_dh_C) 		6 LEU A 225
GLY A 143
GLY A 148
ILE A 195
LEU A 198
PRO A 199
 None
 1.40A 4gc9A-3pp8A:
undetectable		 4gc9A-3pp8A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q54 OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Escherichia
coli) 		PF13360
(PQQ_2) 		5 LEU A 110
GLY A 125
VAL A 141
LEU A  97
VAL A  95
 None
 0.95A 4gc9A-3q54A:
undetectable		 4gc9A-3q54A:
21.97
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 227
ILE A 231
ASN A 293
LEU A 294
PRO A 295
 SFG  A 401 ( 3.7A)
None
SFG  A 401 (-4.4A)
None
SFG  A 401 ( 4.4A)
 0.96A 4gc9A-3tm5A:
11.2		 4gc9A-3tm5A:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 LEU A 202
GLY A 227
ILE A 231
LYS A 249
ASN A 293
PRO A 295
 SFG  A 401 (-4.5A)
SFG  A 401 ( 3.7A)
None
SFG  A 401 (-4.9A)
SFG  A 401 (-4.4A)
SFG  A 401 ( 4.4A)
 0.90A 4gc9A-3tm5A:
11.2		 4gc9A-3tm5A:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 168
GLY A 194
ILE A 198
ASN A 260
PRO A 262
 None
 0.75A 4gc9A-3tmaA:
11.6		 4gc9A-3tmaA:
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.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ILE A 389
VAL A 205
LEU A 392
PRO A 393
VAL A 396
 None
 1.00A 4gc9A-3ufbA:
11.3		 4gc9A-3ufbA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v48 PUTATIVE
AMINOACRYLATE
HYDROLASE RUTD

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		5 LEU A  18
GLY A  94
GLY A  90
LEU A 108
VAL A 201
 None
 1.01A 4gc9A-3v48A:
undetectable		 4gc9A-3v48A:
20.17
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.
3wuf ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
sp.) 		PF00331
(Glyco_hydro_10) 		5 GLY A 213
GLY A 215
PRO A 216
ILE A 211
ASN A 210
 None
ZN  A 404 ( 4.9A)
None
None
None
 0.99A 4gc9A-3wufA:
undetectable		 4gc9A-3wufA:
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 GLN A 790
LEU A 781
ILE A 880
VAL A 814
LEU A 764
 None
 0.92A 4gc9A-4a7kA:
undetectable		 4gc9A-4a7kA:
17.52
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.
4b4o EPIMERASE FAMILY
PROTEIN SDR39U1

(Homo sapiens) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		5 GLN A 265
GLY A 108
GLY A 158
VAL A 136
ASN A 216
 None
NDP  A 999 ( 4.4A)
None
None
None
 0.98A 4gc9A-4b4oA:
undetectable		 4gc9A-4b4oA:
21.81
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 GLY A 379
VAL A 369
LEU A 480
PRO A 481
VAL A 484
 None
 0.88A 4gc9A-4c22A:
undetectable		 4gc9A-4c22A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		6 GLY A 495
GLY A 491
PRO A 490
VAL A 499
LEU A  55
PRO A  56
 None
FAD  A 551 ( 3.2A)
ANB  A 601 (-4.6A)
None
None
None
 1.33A 4gc9A-4c3yA:
undetectable		 4gc9A-4c3yA:
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.
4d3d IMINE REDUCTASE

(Bacillus cereus) 		PF03446
(NAD_binding_2) 		5 GLY A  29
GLY A  31
PRO A  32
LEU A  86
VAL A  91
 MG  A1306 ( 4.1A)
None
None
None
None
 0.70A 4gc9A-4d3dA:
3.4		 4gc9A-4d3dA:
21.91
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		5 GLY A 236
GLY A 238
ILE A 242
ASN A 305
PRO A 307
 SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
SAM  A 401 (-4.7A)
SAM  A 401 (-3.8A)
SAM  A 401 (-4.0A)
 0.51A 4gc9A-4dcmA:
7.5		 4gc9A-4dcmA:
24.76
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.
4fsj CAPSID PROTEIN BETA

(Flock House
virus) 		PF01829
(Peptidase_A6) 		5 LEU A  67
GLY A  83
GLY A  81
PRO A  80
VAL A  92
 None
 0.97A 4gc9A-4fsjA:
undetectable		 4gc9A-4fsjA:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		7 GLN A  35
LYS A  86
VAL A 112
ASN A 141
LEU A 142
PRO A 143
VAL A 146
 ACT  A 402 (-3.6A)
None
None
None
None
ACT  A 402 ( 4.9A)
None
 0.78A 4gc9A-4gc5A:
47.1		 4gc9A-4gc5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		11 LEU A  38
GLY A  63
GLY A  65
PRO A  66
ILE A  69
LYS A  86
VAL A 112
ASN A 141
LEU A 142
PRO A 143
VAL A 146
 None
ACT  A 402 (-3.4A)
None
None
None
None
None
None
None
ACT  A 402 ( 4.9A)
None
 0.32A 4gc9A-4gc5A:
47.1		 4gc9A-4gc5A:
100.00
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.
4ghk GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 LEU A 117
GLY A 142
ILE A 120
VAL A  88
LEU A 405
 None
 0.99A 4gc9A-4ghkA:
2.9		 4gc9A-4ghkA:
21.91
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.
4gij PSEUDOURIDINE-5'-PHO
SPHATE GLYCOSIDASE

(Escherichia
coli) 		PF04227
(Indigoidine_A) 		5 LEU A 173
GLY A 135
VAL A 232
LEU A 178
VAL A 183
 None
 0.96A 4gc9A-4gijA:
2.2		 4gc9A-4gijA:
22.89
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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		5 GLY A 355
ILE A 350
VAL A 337
LEU A 377
VAL A 373
 None
 1.04A 4gc9A-4h0pA:
undetectable		 4gc9A-4h0pA:
23.31
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 GLY M 311
GLY M 376
PRO M 375
VAL M 238
LEU M 312
 None
 1.05A 4gc9A-4heaM:
undetectable		 4gc9A-4heaM:
22.74
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 GLN A 175
GLY A 292
ILE A 245
LYS A 238
PRO A 219
 None
 0.90A 4gc9A-4j3qA:
undetectable		 4gc9A-4j3qA:
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.
4jja HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 LEU A 173
GLY A 170
PRO A 171
ILE A 186
LEU A 132
 None
 0.91A 4gc9A-4jjaA:
2.7		 4gc9A-4jjaA:
23.17
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.
4k28 SHIKIMATE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
putida) 		PF00899
(ThiF)
PF08501
(Shikimate_dh_N) 		5 GLY A 132
GLY A 134
ILE A 140
PRO A 196
VAL A 197
 NAD  A 301 (-3.4A)
NAD  A 301 (-3.2A)
None
NAD  A 301 (-4.5A)
None
 0.89A 4gc9A-4k28A:
undetectable		 4gc9A-4k28A:
20.66
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.
4mde METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF13671
(AAA_33) 		5 ILE A 154
ASN A 107
LEU A 108
PRO A 109
VAL A 112
 None
 0.77A 4gc9A-4mdeA:
undetectable		 4gc9A-4mdeA:
21.47
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.
4n0t U4/U6
SNRNA-ASSOCIATED-SPL
ICING FACTOR PRP24

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1)
PF16842
(RRM_occluded) 		5 ILE A 110
VAL A  57
ASN A  47
LEU A  48
PRO A  49
 None
 0.94A 4gc9A-4n0tA:
undetectable		 4gc9A-4n0tA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n18 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Klebsiella
pneumoniae) 		PF02826
(2-Hacid_dh_C) 		5 GLY A 141
GLY A 146
ILE A 193
LEU A 196
PRO A 197
 CIT  A 402 ( 3.7A)
None
None
None
CIT  A 402 ( 4.8A)
 0.92A 4gc9A-4n18A:
5.5		 4gc9A-4n18A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ow8 SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 GLY A 126
GLY A 265
PRO A 266
LEU A 203
VAL A 142
 None
 0.99A 4gc9A-4ow8A:
undetectable		 4gc9A-4ow8A:
22.79
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.
4pk1 CHIMERA PROTEIN OF
OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTORS BAMA AND
BAMB

(Escherichia
coli) 		PF07244
(POTRA)
PF13360
(PQQ_2) 		5 LEU A1110
GLY A1125
VAL A1141
LEU A1097
VAL A1095
 None
 1.01A 4gc9A-4pk1A:
undetectable		 4gc9A-4pk1A:
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.
4prk 4-PHOSPHOERYTHRONATE
DEHYDROGENASE

(Lactobacillus
jensenii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 LEU A 238
ILE A 216
VAL A 290
ASN A 232
LEU A 258
VAL A 292
 None
 1.35A 4gc9A-4prkA:
3.9		 4gc9A-4prkA:
22.81
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.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		5 GLY A 104
VAL A 102
LEU A 110
PRO A 111
VAL A 114
 SAH  A 201 (-3.1A)
None
None
None
None
 1.05A 4gc9A-4pzkA:
undetectable		 4gc9A-4pzkA:
18.75
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.
4x3f SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 GLY A 126
GLY A 265
PRO A 266
LEU A 203
VAL A 142
 None
 0.92A 4gc9A-4x3fA:
undetectable		 4gc9A-4x3fA:
23.02
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.
4y7p ALKALINE D-PEPTIDASE

(Bacillus cereus) 		PF00144
(Beta-lactamase) 		5 LEU A 123
ILE A 119
VAL A 106
LEU A 178
VAL A 153
 None
 1.04A 4gc9A-4y7pA:
undetectable		 4gc9A-4y7pA:
23.33
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.
5a9t PUTATIVE
DEHYDROGENASE

(Amycolatopsis
orientalis) 		PF03446
(NAD_binding_2) 		5 GLY A  12
GLY A  14
PRO A  15
ASN A  95
LEU A  69
 None
 0.77A 4gc9A-5a9tA:
4.3		 4gc9A-5a9tA:
21.27
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.
5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 GLY A  75
GLY A  78
LEU A 186
PRO A 187
VAL A 190
 NDP  A 551 ( 4.1A)
NDP  A 551 (-3.0A)
NDP  A 551 (-4.8A)
NDP  A 551 (-4.3A)
NDP  A 551 (-4.9A)
 0.62A 4gc9A-5aq1A:
3.6		 4gc9A-5aq1A:
22.09
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.
5eio N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE/N-ACET
YL-GAMMA-AMINOADIPYL
-PHOSPHATE REDUCTASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A  10
GLY A  13
LEU A  75
PRO A  76
VAL A  79
 NAP  A 401 (-3.1A)
NAP  A 401 (-3.1A)
NAP  A 401 (-4.6A)
NAP  A 401 (-4.2A)
NAP  A 401 (-4.6A)
 0.91A 4gc9A-5eioA:
3.1		 4gc9A-5eioA:
22.19
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.
5ekz TRANSLATIONAL
ACTIVATOR OF
CYTOCHROME C OXIDASE
1

(Mus musculus) 		PF01709
(Transcrip_reg) 		5 LEU A 270
GLY A 139
GLY A 141
ILE A 293
LEU A 276
 None
 0.90A 4gc9A-5ekzA:
undetectable		 4gc9A-5ekzA:
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLY B 118
GLY B 120
VAL B 169
LEU B 204
PRO B 205
 SAM  B 401 (-3.4A)
SAM  B 401 (-3.3A)
SAM  B 401 (-3.7A)
SAM  B 401 (-4.5A)
SAM  B 401 ( 4.9A)
 0.80A 4gc9A-5ergB:
10.5		 4gc9A-5ergB:
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.
5hl6 PUTATIVE GAF SENSOR
PROTEIN

(Burkholderia
vietnamiensis) 		PF13185
(GAF_2) 		5 GLY A  86
GLY A  81
ILE A 107
VAL A 131
LEU A  64
 None
 1.04A 4gc9A-5hl6A:
undetectable		 4gc9A-5hl6A:
20.18
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  13
GLY A  15
ILE A  21
VAL A 227
VAL A 276
 FAD  A 702 (-3.6A)
FAD  A 702 (-2.6A)
None
FAD  A 702 (-3.6A)
None
 1.02A 4gc9A-5i68A:
undetectable		 4gc9A-5i68A:
19.58
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.
5m1h GAG PROTEIN

(Simian foamy
virus) 		PF03276
(Gag_spuma) 		5 GLY A 403
ILE A 395
LEU A 430
PRO A 431
VAL A 435
 None
 1.03A 4gc9A-5m1hA:
undetectable		 4gc9A-5m1hA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 5 GLN A 175
GLY A 292
ILE A 245
LYS A 238
PRO A 219
 None
 0.91A 4gc9A-5or4A:
undetectable		 4gc9A-5or4A:
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.
5tt1 PUTATIVE SHORT-CHAIN
ALCOHOL
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00106
(adh_short) 		5 LEU A 137
PRO A 133
ILE A 138
LEU A  12
VAL A  36
 None
 0.88A 4gc9A-5tt1A:
5.8		 4gc9A-5tt1A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukw GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Homo sapiens) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		6 GLY A  38
GLY A  41
ILE A  48
LEU A 142
PRO A 143
VAL A 146
 None
 0.64A 4gc9A-5ukwA:
4.1		 4gc9A-5ukwA:
24.68
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.
5vft PROTEASOME SUBUNIT
BETA TYPE-4

(Homo sapiens) 		no annotation 5 LEU T  92
GLY T 113
GLY T 123
VAL T 192
PRO T  85
 None
 1.01A 4gc9A-5vftT:
undetectable		 4gc9A-5vftT:
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.
5xya -

(-) 		no annotation 5 GLN A 622
LEU A 628
GLY A 285
GLY A 303
PRO A 621
 None
 0.92A 4gc9A-5xyaA:
undetectable		 4gc9A-5xyaA:
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A   8
GLY A  10
LEU A  65
PRO A  66
VAL A  70
 None
 0.71A 4gc9A-5y8pA:
undetectable		 4gc9A-5y8pA:
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 6 GLY A   8
GLY A  13
ILE A  62
LEU A  65
PRO A  66
VAL A  70
 None
 1.35A 4gc9A-5y8pA:
undetectable		 4gc9A-5y8pA:
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.
5yeq KETOL-ACID
REDUCTOISOMERASE
(NADP(+))

(Sulfolobus
acidocaldarius) 		no annotation 5 GLY A  24
GLY A  29
ILE A  78
LEU A  81
PRO A  82
 None
 0.87A 4gc9A-5yeqA:
undetectable		 4gc9A-5yeqA:
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.
6aso U4/U6
SNRNA-ASSOCIATED-SPL
ICING FACTOR PRP24

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 110
VAL A  57
ASN A  47
LEU A  48
PRO A  49
 None
 0.93A 4gc9A-6asoA:
undetectable		 4gc9A-6asoA:
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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A 126
GLY A 265
PRO A 266
LEU A 203
VAL A 142
 None
 0.93A 4gc9A-6b2qA:
undetectable		 4gc9A-6b2qA:
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.
6ejf -

(-) 		no annotation 5 ILE G 467
VAL G 444
LEU G 430
PRO G 459
VAL G 457
 None
 0.93A 4gc9A-6ejfG:
undetectable		 4gc9A-6ejfG:
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.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		3 GLU A 186
ASP A 255
ASP A  24
 None
 0.79A 4gc9A-1bhwA:
undetectable		 4gc9A-1bhwA:
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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		3 GLU A  29
ASP A  31
ASP A  50
 None
 0.44A 4gc9A-1dctA:
6.2		 4gc9A-1dctA:
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.
1frd HETEROCYST [2FE-2S]
FERREDOXIN

(Nostoc sp. PCC
7120) 		PF00111
(Fer2) 		3 GLU A  32
ASP A  28
ASP A  21
 None
 0.78A 4gc9A-1frdA:
undetectable		 4gc9A-1frdA:
15.25
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.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		3 GLU A  71
ASP A  73
ASP A  89
 NEA  A 500 (-2.8A)
None
NEA  A 500 (-3.4A)
 0.33A 4gc9A-1g38A:
10.8		 4gc9A-1g38A:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jr7 HYPOTHETICAL 37.4
KDA PROTEIN IN
ILEY-GABD INTERGENIC
REGION

(Escherichia
coli) 		PF08943
(CsiD) 		3 GLU A 110
ASP A 109
ASP A 104
 None
 0.76A 4gc9A-1jr7A:
undetectable		 4gc9A-1jr7A:
22.19
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 GLU A 104
ASP A 106
ASP A 141
 None
 0.20A 4gc9A-1mjfA:
9.8		 4gc9A-1mjfA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		3 GLU A 528
ASP A 521
ASP A 100
 None
 0.75A 4gc9A-1mroA:
undetectable		 4gc9A-1mroA:
21.27
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.
1o1c SKELETAL MUSCLE
MYOSIN II REGULATORY
LIGHT CHAIN

(Gallus gallus) 		PF13833
(EF-hand_8) 		3 GLU B  49
ASP B  45
ASP B  35
 None
 0.63A 4gc9A-1o1cB:
undetectable		 4gc9A-1o1cB:
19.93
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE
LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus;
Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 GLU A 120
ASP A  73
ASP C 447
 None
None
TRS  A   2 (-3.6A)
 0.67A 4gc9A-1o7dA:
undetectable		 4gc9A-1o7dA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odo PUTATIVE CYTOCHROME
P450 154A1

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 GLU A 281
ASP A 336
ASP A 333
 None
 0.78A 4gc9A-1odoA:
undetectable		 4gc9A-1odoA:
24.17
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		3 GLU A 293
ASP A 347
ASP A 344
 None
 0.73A 4gc9A-1q5dA:
undetectable		 4gc9A-1q5dA:
20.93
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.
1qr5 PHOSPHOCARRIER
PROTEIN HPR

(Staphylococcus
carnosus) 		PF00381
(PTS-HPr) 		3 GLU A  70
ASP A  66
ASP A  30
 None
 0.78A 4gc9A-1qr5A:
undetectable		 4gc9A-1qr5A:
13.78
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.
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 GLU A 280
ASP A 335
ASP A 332
 None
 0.75A 4gc9A-1s1fA:
undetectable		 4gc9A-1s1fA:
25.17
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.
1sjj ACTININ

(Gallus gallus) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		3 GLU A  58
ASP A  62
ASP A 118
 None
 0.79A 4gc9A-1sjjA:
undetectable		 4gc9A-1sjjA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vhm PROTEIN YEBR

(Escherichia
coli) 		PF13185
(GAF_2) 		3 GLU A 125
ASP A 143
ASP A 108
 MES  A 194 (-3.2A)
MES  A 194 (-4.0A)
None
 0.67A 4gc9A-1vhmA:
undetectable		 4gc9A-1vhmA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		3 GLU A  79
ASP A  81
ASP A 105
 SAH  A1001 (-2.8A)
None
SAH  A1001 (-3.2A)
 0.39A 4gc9A-1wy7A:
13.1		 4gc9A-1wy7A:
22.82
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 GLU A 151
ASP A 153
ASP A 182
 None
 0.46A 4gc9A-1xj5A:
10.1		 4gc9A-1xj5A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		3 GLU A 122
ASP A 124
ASP A 150
 None
 0.41A 4gc9A-1yb2A:
10.1		 4gc9A-1yb2A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zak ADENYLATE KINASE

(Zea mays) 		PF00406
(ADK) 		3 GLU A 120
ASP A 119
ASP A 194
 None
 0.63A 4gc9A-1zakA:
undetectable		 4gc9A-1zakA:
23.08
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 GLU A 153
ASP A 155
ASP A  53
 None
 0.76A 4gc9A-1zl6A:
undetectable		 4gc9A-1zl6A:
21.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		3 GLU A  85
ASP A  87
ASP A 113
 SAM  A4000 (-2.8A)
None
SAM  A4000 (-3.8A)
 0.53A 4gc9A-1zq9A:
25.3		 4gc9A-1zq9A:
30.33
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.
2bud MALES-ABSENT ON THE
FIRST PROTEIN

(Drosophila
melanogaster) 		PF11717
(Tudor-knot) 		3 GLU A 377
ASP A 374
ASP A 434
 None
 0.77A 4gc9A-2budA:
undetectable		 4gc9A-2budA:
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.
2bvm TOXIN B

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		3 GLU A  33
ASP A  29
ASP A  51
 None
 0.74A 4gc9A-2bvmA:
undetectable		 4gc9A-2bvmA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		3 GLU A  98
ASP A 101
ASP A 236
 None
HXD  A 900 (-3.1A)
None
 0.79A 4gc9A-2ddhA:
undetectable		 4gc9A-2ddhA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fdo HYPOTHETICAL PROTEIN
AF2331

(Archaeoglobus
fulgidus) 		no annotation 3 GLU B  52
ASP B  33
ASP B  30
 None
 0.63A 4gc9A-2fdoB:
undetectable		 4gc9A-2fdoB:
15.68
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		3 GLU A  85
ASP A  87
ASP A 113
 None
None
ZN  A 306 ( 4.7A)
 0.58A 4gc9A-2gpyA:
9.8		 4gc9A-2gpyA:
22.35
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.
2i6u ORNITHINE
CARBAMOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 GLU A 272
ASP A 271
ASP A 275
 None
 0.73A 4gc9A-2i6uA:
undetectable		 4gc9A-2i6uA:
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		3 GLU A  40
ASP A  42
ASP A  60
 SAH  A 328 (-2.8A)
None
SAH  A 328 (-3.6A)
 0.25A 4gc9A-2i9kA:
6.0		 4gc9A-2i9kA:
22.61
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.
2jjp CYTOCHROME P450
113A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		3 GLU A 280
ASP A 333
ASP A 330
 None
 0.75A 4gc9A-2jjpA:
undetectable		 4gc9A-2jjpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lv5 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF10052
(DUF2288) 		3 GLU A  47
ASP A  44
ASP A  40
 None
 0.58A 4gc9A-2lv5A:
undetectable		 4gc9A-2lv5A:
16.24
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.
2oys HYPOTHETICAL PROTEIN
SP1951

(Streptococcus
pneumoniae) 		PF03358
(FMN_red) 		3 GLU A  55
ASP A  52
ASP A  62
 None
 0.78A 4gc9A-2oysA:
undetectable		 4gc9A-2oysA:
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 GLU A 147
ASP A 149
ASP A 178
 S4M  A 501 (-2.7A)
None
S4M  A 501 (-3.3A)
 0.33A 4gc9A-2pt6A:
9.8		 4gc9A-2pt6A:
22.34
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		3 GLU A 103
ASP A 100
ASP A 105
 None
 0.80A 4gc9A-2wsbA:
5.2		 4gc9A-2wsbA:
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.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		3 GLU B 261
ASP B 314
ASP B 311
 None
 0.67A 4gc9A-2yjnB:
undetectable		 4gc9A-2yjnB:
22.64
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.
2ylk CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		3 GLU A  46
ASP A 109
ASP A  74
 None
 0.67A 4gc9A-2ylkA:
undetectable		 4gc9A-2ylkA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		3 GLU A 293
ASP A 346
ASP A 343
 None
 0.75A 4gc9A-2z3tA:
undetectable		 4gc9A-2z3tA:
23.11
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 GLU A 107
ASP A 109
ASP A 144
 None
 0.20A 4gc9A-2zsuA:
10.2		 4gc9A-2zsuA:
20.65
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		3 GLU A 262
ASP A 264
ASP A 288
 SAH  A 376 (-2.7A)
None
SAH  A 376 (-4.1A)
 0.33A 4gc9A-2zwvA:
8.1		 4gc9A-2zwvA:
24.06
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.
3a1w IRON(II) TRANSPORT
PROTEIN B

(Thermotoga
maritima) 		PF02421
(FeoB_N) 		3 GLU A  83
ASP A  82
ASP A  88
 None
 0.80A 4gc9A-3a1wA:
undetectable		 4gc9A-3a1wA:
20.56
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 GLU A 220
ASP A 222
ASP A 255
 MTA  A 401 (-2.5A)
None
MTA  A 401 (-3.6A)
 0.36A 4gc9A-3c6mA:
8.7		 4gc9A-3c6mA:
21.00
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.
3d6k PUTATIVE
AMINOTRANSFERASE

(Corynebacterium
diphtheriae) 		PF12897
(Aminotran_MocR) 		3 GLU A 160
ASP A 159
ASP A 163
 None
 0.75A 4gc9A-3d6kA:
undetectable		 4gc9A-3d6kA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		3 GLU A  97
ASP A  96
ASP A  91
 None
 0.80A 4gc9A-3f6tA:
undetectable		 4gc9A-3f6tA:
22.30
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.
3fkq NTRC-LIKE TWO-DOMAIN
PROTEIN

([Eubacterium]
rectale) 		PF13614
(AAA_31) 		3 GLU A  87
ASP A  86
ASP A  62
 None
 0.52A 4gc9A-3fkqA:
undetectable		 4gc9A-3fkqA:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		3 GLU A  75
ASP A  77
ASP A  99
 None
 0.28A 4gc9A-3futA:
23.7		 4gc9A-3futA:
31.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		3 GLU A  59
ASP A  61
ASP A  84
 None
 0.27A 4gc9A-3fydA:
26.0		 4gc9A-3fydA:
29.30
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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 GLU A 336
ASP A 335
ASP A 330
 None
 0.73A 4gc9A-3g4fA:
undetectable		 4gc9A-3g4fA:
21.90
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		3 GLU A  29
ASP A  31
ASP A  51
 None
 0.48A 4gc9A-3g7uA:
7.2		 4gc9A-3g7uA:
20.35
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 3 GLU A 117
ASP A 119
ASP A 144
 FMT  A 315 (-3.6A)
None
None
 0.63A 4gc9A-3gjyA:
8.7		 4gc9A-3gjyA:
22.31
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		3 GLU A  59
ASP A  61
ASP A  84
 SAM  A 300 (-2.8A)
None
SAM  A 300 (-3.7A)
 0.28A 4gc9A-3gryA:
25.9		 4gc9A-3gryA:
28.16
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.
3jtn ADAPTER PROTEIN MECA
2

(Bacillus
subtilis) 		PF05389
(MecA) 		3 GLU A  42
ASP A  43
ASP A   2
 IOD  A  95 (-4.9A)
None
None
 0.73A 4gc9A-3jtnA:
undetectable		 4gc9A-3jtnA:
14.81
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.
3k6r PUTATIVE TRANSFERASE
PH0793

(Pyrococcus
horikoshii) 		PF02475
(Met_10) 		3 GLU A 155
ASP A 157
ASP A 183
 None
 0.34A 4gc9A-3k6rA:
10.6		 4gc9A-3k6rA:
23.18
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.
3mzs CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME

(Bos taurus) 		PF00067
(p450) 		3 GLU A 344
ASP A 397
ASP A 394
 None
 0.53A 4gc9A-3mzsA:
undetectable		 4gc9A-3mzsA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3na6 SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Ruegeria sp.
TM1040) 		PF04952
(AstE_AspA) 		3 GLU A 187
ASP A 189
ASP A 254
 None
 0.68A 4gc9A-3na6A:
undetectable		 4gc9A-3na6A:
21.39
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.
3nek NITROGEN
REPRESSOR-LIKE
PROTEIN MJ0159

(Methanocaldococcus
jannaschii) 		PF01995
(DUF128) 		3 GLU A 361
ASP A 360
ASP A 355
 None
 0.74A 4gc9A-3nekA:
undetectable		 4gc9A-3nekA:
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.
3ojy COMPLEMENT COMPONENT
C8 ALPHA CHAIN
COMPLEMENT COMPONENT
C8 BETA CHAIN

(Homo sapiens;
Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF)
PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF) 		3 GLU B  98
ASP B  89
ASP A 107
 CA  B 538 (-3.0A)
None
None
 0.77A 4gc9A-3ojyB:
undetectable		 4gc9A-3ojyB:
18.97
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		3 GLU A 344
ASP A 285
ASP A 297
 None
 0.65A 4gc9A-3pt1A:
4.3		 4gc9A-3pt1A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9b CYTOCHROME P450
164A2

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		3 GLU A 295
ASP A 348
ASP A 345
 None
 0.79A 4gc9A-3r9bA:
undetectable		 4gc9A-3r9bA:
20.36
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.
3r9x RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Aquifex
aeolicus) 		PF00398
(RrnaAD) 		3 GLU B  60
ASP B  62
ASP B  83
 None
 0.64A 4gc9A-3r9xB:
23.1		 4gc9A-3r9xB:
28.16
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 GLU A 124
ASP A 126
ASP A 155
 DSH  A 303 (-2.6A)
None
DSH  A 303 (-3.5A)
 0.36A 4gc9A-3rw9A:
9.6		 4gc9A-3rw9A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		3 GLU A 547
ASP A 540
ASP A 108
 None
 0.76A 4gc9A-3sqgA:
undetectable		 4gc9A-3sqgA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tc2 KUNITZ-TYPE
PROTEINASE INHIBITOR
P1H5

(Solanum
tuberosum) 		PF00197
(Kunitz_legume) 		3 GLU A  83
ASP A  82
ASP A   4
 None
 0.74A 4gc9A-3tc2A:
undetectable		 4gc9A-3tc2A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		3 GLU A  61
ASP A  63
ASP A  86
 None
 0.34A 4gc9A-3tqsA:
26.7		 4gc9A-3tqsA:
28.49
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.
3txa CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		3 GLU A 575
ASP A 574
ASP A 567
 None
 0.74A 4gc9A-3txaA:
2.0		 4gc9A-3txaA:
18.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		3 GLU A  71
ASP A  73
ASP A  94
 None
 0.48A 4gc9A-3uzuA:
25.2		 4gc9A-3uzuA:
30.59
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.
3vdz UBIQUITIN-40S
RIBOSOMAL PROTEIN
S27A

(Homo sapiens;
synthetic
construct) 		PF00240
(ubiquitin) 		3 GLU A 118
ASP A  96
ASP A  86
 None
None
GD  A 202 (-3.3A)
 0.60A 4gc9A-3vdzA:
undetectable		 4gc9A-3vdzA:
15.36
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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 3 GLU A 446
ASP A 448
ASP A 479
 None
 0.79A 4gc9A-3w36A:
undetectable		 4gc9A-3w36A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wt0 CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		3 GLU A 173
ASP A 178
ASP A 181
 None
 0.79A 4gc9A-3wt0A:
undetectable		 4gc9A-3wt0A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		3 GLU A 416
ASP A 305
ASP A 414
 None
 0.64A 4gc9A-4ap5A:
undetectable		 4gc9A-4ap5A:
23.17
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.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Pseudomonas
aeruginosa) 		PF00483
(NTP_transferase) 		3 GLU A 234
ASP A 230
ASP A 225
 None
 0.73A 4gc9A-4asyA:
undetectable		 4gc9A-4asyA:
22.25
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		3 GLU A  36
ASP A  35
ASP A 240
 None
 0.78A 4gc9A-4e2oA:
undetectable		 4gc9A-4e2oA:
21.58
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.
4ep6 CYTOCHROME P450-LIKE
PROTEIN XPLA

(Rhodococcus
rhodochrous) 		PF00067
(p450) 		3 GLU A 430
ASP A 483
ASP A 480
 None
 0.69A 4gc9A-4ep6A:
undetectable		 4gc9A-4ep6A:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		3 GLU A  85
ASP A  87
ASP A 111
 ACT  A 402 (-2.9A)
None
None
 0.15A 4gc9A-4gc5A:
47.1		 4gc9A-4gc5A:
100.00
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		3 GLU A 148
ASP A 144
ASP A 293
 None
 0.62A 4gc9A-4injA:
undetectable		 4gc9A-4injA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		3 GLU A 261
ASP A 263
ASP A 283
 AGS  A 502 (-2.4A)
None
AGS  A 502 (-2.9A)
 0.26A 4gc9A-4j9vA:
6.8		 4gc9A-4j9vA:
22.83
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		3 GLU A 505
ASP A 504
ASP A 513
 None
 0.63A 4gc9A-4jc8A:
2.7		 4gc9A-4jc8A:
18.37
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.
4n0v GLUTATHIONE
S-TRANSFERASE,
N-TERMINAL DOMAIN

(Marinobacter
hydrocarbonoclasticus) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		3 GLU A  39
ASP A  34
ASP A   5
 None
 0.55A 4gc9A-4n0vA:
undetectable		 4gc9A-4n0vA:
22.61
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.
4r9o PUTATIVE ALDO/KETO
REDUCTASE

(Salmonella
enterica) 		PF00248
(Aldo_ket_red) 		3 GLU A 141
ASP A 137
ASP A 102
 None
 0.67A 4gc9A-4r9oA:
undetectable		 4gc9A-4r9oA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rf7 ARGININE KINASE

(Anthopleura
japonica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 GLU A 341
ASP A 106
ASP A 258
 None
 0.79A 4gc9A-4rf7A:
undetectable		 4gc9A-4rf7A:
20.28
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.
4ubs PENTALENIC ACID
SYNTHASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		3 GLU A 280
ASP A 333
ASP A 330
 None
 0.79A 4gc9A-4ubsA:
undetectable		 4gc9A-4ubsA:
22.77
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 GLU A 147
ASP A 149
ASP A 178
 MTA  A 401 (-2.7A)
None
MTA  A 401 (-3.2A)
 0.34A 4gc9A-4uoeA:
9.9		 4gc9A-4uoeA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		3 GLU A 592
ASP A 352
ASP A 462
 None
 0.78A 4gc9A-4wgkA:
undetectable		 4gc9A-4wgkA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wmy INTELECTIN-1

(Homo sapiens) 		no annotation 3 GLU A  87
ASP A  89
ASP A 132
 CA  A 402 (-2.9A)
None
None
 0.60A 4gc9A-4wmyA:
undetectable		 4gc9A-4wmyA:
19.35
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.
4x8i LYSYL AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF05343
(Peptidase_M42) 		3 GLU A 187
ASP A   3
ASP A 326
 None
 0.69A 4gc9A-4x8iA:
undetectable		 4gc9A-4x8iA:
23.23
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.
4xe3 CYTOCHROME P-450

(Streptomyces
antibioticus) 		PF00067
(p450) 		3 GLU A 283
ASP A 338
ASP A 335
 None
 0.79A 4gc9A-4xe3A:
undetectable		 4gc9A-4xe3A:
21.56
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		3 GLU A 154
ASP A 156
ASP A  54
 None
 0.59A 4gc9A-4zktA:
undetectable		 4gc9A-4zktA:
13.76
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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		3 GLU A  53
ASP A  55
ASP A  81
 SAH  A 201 (-2.8A)
None
SAH  A 201 (-3.6A)
 0.48A 4gc9A-5bxyA:
11.7		 4gc9A-5bxyA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c1b TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Homo sapiens) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2)
PF09336
(Vps4_C) 		3 GLU A  80
ASP A  79
ASP A  29
 None
 0.76A 4gc9A-5c1bA:
undetectable		 4gc9A-5c1bA:
20.19
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		3 GLU A 269
ASP A 268
ASP A 266
 None
 0.79A 4gc9A-5d3mA:
undetectable		 4gc9A-5d3mA:
23.82
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.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		3 GLU A 234
ASP A 230
ASP A 225
 None
 0.72A 4gc9A-5ifyA:
undetectable		 4gc9A-5ifyA:
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		3 GLU A 613
ASP A 615
ASP A 580
 None
 0.59A 4gc9A-5mswA:
2.1		 4gc9A-5mswA:
14.57
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.
5mua RICIN B-RELATED
LECTIN

(Polyporus
squamosus) 		PF14200
(RicinB_lectin_2) 		3 GLU A 112
ASP A  93
ASP A  72
 None
None
GAL  A 301 (-2.7A)
 0.79A 4gc9A-5muaA:
undetectable		 4gc9A-5muaA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		3 GLU A 530
ASP A 523
ASP A 103
 None
 0.79A 4gc9A-5n28A:
undetectable		 4gc9A-5n28A:
20.28
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.
5t7c HIPPOCALCIN-LIKE
PROTEIN 1

(Homo sapiens) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		3 GLU A  84
ASP A  81
ASP A  73
 None
 0.69A 4gc9A-5t7cA:
undetectable		 4gc9A-5t7cA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6u CYTOCHROME P450

(Rhodopseudomonas
palustris) 		no annotation 3 GLU A 287
ASP A 340
ASP A 337
 None
 0.76A 4gc9A-5u6uA:
undetectable		 4gc9A-5u6uA:
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		3 GLU A 524
ASP A 526
ASP A 551
 SAH  A 705 (-2.7A)
None
SAH  A 705 (-3.4A)
 0.27A 4gc9A-5wcjA:
10.0		 4gc9A-5wcjA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xev XAA-PRO
DIPEPTIDASE,PEPTIDAS
E-RELATED PROTEIN

(Deinococcus
radiodurans) 		no annotation 3 GLU A 222
ASP A 207
ASP A 240
 None
None
ZN  A 502 ( 2.1A)
 0.62A 4gc9A-5xevA:
undetectable		 4gc9A-5xevA:
21.58
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT 6

(Homo sapiens) 		PF05347
(Complex1_LYR) 		3 GLU E  27
ASP E  24
ASP E  80
 None
 0.70A 4gc9A-5xtdE:
undetectable		 4gc9A-5xtdE:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 3 GLU A 426
ASP A 432
ASP A 418
 None
 0.68A 4gc9A-5z0uA:
undetectable		 4gc9A-5z0uA:
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.
6b9r HYDROXYETHYLPHOSPHON
ATE DIOXYGENASE

(Streptomyces
albus) 		no annotation 3 GLU A  36
ASP A  32
ASP A  38
 None
 0.78A 4gc9A-6b9rA:
undetectable		 4gc9A-6b9rA:
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.
6cqo SINGLE-STRANDED
DNA-BINDING PROTEIN
RIM1, MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		no annotation 3 GLU A  87
ASP A 112
ASP A  89
 None
 0.77A 4gc9A-6cqoA:
undetectable		 4gc9A-6cqoA:
undetectable