SIMILAR PATTERNS OF AMINO ACIDS FOR 3RAE_F_LFXF101_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 SER A 567
GLY A 592
GLU A 162
 None
 0.66A 3raeA-1a2vA:
0.1
3raeC-1a2vA:
0.0		 3raeA-1a2vA:
19.15
3raeC-1a2vA:
17.60
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.
1ao5 GLANDULAR
KALLIKREIN-13

(Mus musculus) 		PF00089
(Trypsin) 		3 SER A  26
GLY A  19
GLU A 185
 None
 0.66A 3raeA-1ao5A:
0.0
3raeC-1ao5A:
0.0		 3raeA-1ao5A:
16.53
3raeC-1ao5A:
23.00
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.
1be4 NUCLEOSIDE
DIPHOSPHATE
TRANSFERASE

(Bos taurus) 		PF00334
(NDK) 		3 SER A  99
GLY A 119
GLU A   5
 None
 0.63A 3raeA-1be4A:
0.0
3raeC-1be4A:
0.0		 3raeA-1be4A:
16.94
3raeC-1be4A:
23.24
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.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		3 SER A 114
GLY A 147
GLU A 140
 None
 0.70A 3raeA-1biyA:
0.0
3raeC-1biyA:
1.1		 3raeA-1biyA:
22.55
3raeC-1biyA:
17.66
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.
1civ NADP-MALATE
DEHYDROGENASE

(Flaveria
bidentis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 SER A  48
GLY A 144
GLU A 358
 NAP  A 386 ( 4.7A)
None
None
 0.65A 3raeA-1civA:
0.0
3raeC-1civA:
1.7		 3raeA-1civA:
20.00
3raeC-1civA:
19.17
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		3 SER A 246
GLY A 288
GLU A  81
 None
None
NAD  A 400 (-2.8A)
 0.49A 3raeA-1dqsA:
0.0
3raeC-1dqsA:
3.7		 3raeA-1dqsA:
25.83
3raeC-1dqsA:
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		3 SER A 419
GLY A 241
GLU A 344
 None
 0.47A 3raeA-1fohA:
0.0
3raeC-1fohA:
0.2		 3raeA-1fohA:
22.65
3raeC-1fohA:
17.07
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.
1i9z PHOSPHATIDYLINOSITOL
PHOSPHATE
PHOSPHATASE

(Schizosaccharomyces
pombe) 		PF03372
(Exo_endo_phos) 		3 SER A 837
GLY A 739
GLU A 785
 None
 0.60A 3raeA-1i9zA:
0.0
3raeC-1i9zA:
0.0		 3raeA-1i9zA:
19.61
3raeC-1i9zA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jr7 HYPOTHETICAL 37.4
KDA PROTEIN IN
ILEY-GABD INTERGENIC
REGION

(Escherichia
coli) 		PF08943
(CsiD) 		3 SER A  26
GLY A 271
GLU A 267
 None
 0.67A 3raeA-1jr7A:
0.0
3raeC-1jr7A:
1.1		 3raeA-1jr7A:
18.81
3raeC-1jr7A:
19.57
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.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		3 SER A 305
GLY A 222
GLU A 346
 None
UD1  A 901 (-3.1A)
None
 0.69A 3raeA-1jv1A:
undetectable
3raeC-1jv1A:
undetectable		 3raeA-1jv1A:
21.76
3raeC-1jv1A:
18.13
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.
1k3r CONSERVED PROTEIN
MT0001

(Methanothermobacter
thermautotrophicus) 		PF02598
(Methyltrn_RNA_3) 		3 SER A 177
GLY A  52
GLU A  17
 None
 0.61A 3raeA-1k3rA:
undetectable
3raeC-1k3rA:
undetectable		 3raeA-1k3rA:
24.47
3raeC-1k3rA:
23.97
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.
1ktw IOTA-CARRAGEENASE

(Alteromonas sp.
ATCC 43554) 		PF12708
(Pectate_lyase_3) 		3 SER A 300
GLY A 279
GLU A 310
 None
 0.55A 3raeA-1ktwA:
undetectable
3raeC-1ktwA:
undetectable		 3raeA-1ktwA:
21.56
3raeC-1ktwA:
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.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		3 SER A   5
GLY A  37
GLU A  70
 None
SAH  A 401 (-3.3A)
None
 0.66A 3raeA-1m6yA:
undetectable
3raeC-1m6yA:
undetectable		 3raeA-1m6yA:
19.58
3raeC-1m6yA:
20.94
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.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		3 SER B 353
GLY B 161
GLU B 188
 None
ADP  B 604 (-3.2A)
PO4  B 601 (-3.1A)
 0.66A 3raeA-1mabB:
undetectable
3raeC-1mabB:
undetectable		 3raeA-1mabB:
21.90
3raeC-1mabB:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o20 GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Thermotoga
maritima) 		PF00171
(Aldedh) 		3 SER A 339
GLY A 373
GLU A 130
 None
 0.63A 3raeA-1o20A:
undetectable
3raeC-1o20A:
1.8		 3raeA-1o20A:
23.41
3raeC-1o20A:
20.14
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.
1pss PHOTOSYNTHETIC
REACTION CENTER

(Rhodobacter
sphaeroides) 		PF00124
(Photo_RC) 		3 SER M 152
GLY L 191
GLU M 263
 BPH  M   5 ( 4.1A)
None
None
 0.54A 3raeA-1pssM:
undetectable
3raeC-1pssM:
undetectable		 3raeA-1pssM:
18.85
3raeC-1pssM:
20.95
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.
1pw5 NAGD PROTEIN,
PUTATIVE

(Thermotoga
maritima) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		3 SER A  26
GLY A 230
GLU A 235
 None
None
NDG  A 254 (-3.1A)
 0.60A 3raeA-1pw5A:
undetectable
3raeC-1pw5A:
undetectable		 3raeA-1pw5A:
20.24
3raeC-1pw5A:
23.49
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		3 SER A 598
GLY A 657
GLU A 739
 None
 0.57A 3raeA-1pwwA:
undetectable
3raeC-1pwwA:
undetectable		 3raeA-1pwwA:
20.69
3raeC-1pwwA:
17.02
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.
1qdq CATHEPSIN B

(Bos taurus) 		PF00112
(Peptidase_C1) 		3 SER A 220
GLY A  74
GLU A  66
 None
074  A 254 (-4.3A)
None
 0.59A 3raeA-1qdqA:
undetectable
3raeC-1qdqA:
undetectable		 3raeA-1qdqA:
17.79
3raeC-1qdqA:
20.45
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		3 SER A 353
GLY A 387
GLU A 408
 None
 0.63A 3raeA-1rf5A:
undetectable
3raeC-1rf5A:
undetectable		 3raeA-1rf5A:
24.72
3raeC-1rf5A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrp NUCLEAR PORE COMPLEX
PROTEIN NUP358

(Homo sapiens) 		PF00638
(Ran_BP1) 		3 SER B  73
GLY B  33
GLU B  29
 None
 0.68A 3raeA-1rrpB:
undetectable
3raeC-1rrpB:
undetectable		 3raeA-1rrpB:
13.65
3raeC-1rrpB:
19.84
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.
1sgf NERVE GROWTH FACTOR

(Mus musculus) 		PF00089
(Trypsin) 		3 SER G  26
GLY G  19
GLU G 185
 None
 0.47A 3raeA-1sgfG:
undetectable
3raeC-1sgfG:
undetectable		 3raeA-1sgfG:
17.54
3raeC-1sgfG:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tjy SUGAR TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		3 SER A 161
GLY A  97
GLU A 122
 None
 0.50A 3raeA-1tjyA:
undetectable
3raeC-1tjyA:
3.5		 3raeA-1tjyA:
21.04
3raeC-1tjyA:
19.03
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.
1ton TONIN

(Rattus rattus) 		PF00089
(Trypsin) 		3 SER A  26
GLY A  19
GLU A 185
 None
 0.62A 3raeA-1tonA:
undetectable
3raeC-1tonA:
undetectable		 3raeA-1tonA:
18.16
3raeC-1tonA:
20.94
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.
1uik ALPHA PRIME SUBUNIT
OF BETA-CONGLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		3 SER A 178
GLY A 430
GLU A 446
 None
 0.63A 3raeA-1uikA:
undetectable
3raeC-1uikA:
undetectable		 3raeA-1uikA:
24.22
3raeC-1uikA:
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.
1uv4 ARABINAN-ENDO
1,5-ALPHA-L-ARABINAS
E

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		3 SER A   8
GLY A 255
GLU A 135
 None
None
CA  A1294 (-2.9A)
 0.69A 3raeA-1uv4A:
undetectable
3raeC-1uv4A:
undetectable		 3raeA-1uv4A:
19.56
3raeC-1uv4A:
17.57
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.
1w7w NUCLEOSIDE
DIPHOSPHATE KINASE

(Pisum sativum) 		PF00334
(NDK) 		3 SER A  98
GLY A 118
GLU A   4
 None
 0.65A 3raeA-1w7wA:
undetectable
3raeC-1w7wA:
undetectable		 3raeA-1w7wA:
16.47
3raeC-1w7wA:
24.46
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.
1w93 ACETYL-COENZYME A
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 SER A 195
GLY A 218
GLU A  27
 None
 0.60A 3raeA-1w93A:
undetectable
3raeC-1w93A:
1.9		 3raeA-1w93A:
22.09
3raeC-1w93A:
18.12
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.
1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE

(Escherichia
coli) 		PF04962
(KduI) 		3 SER A  -1
GLY A  48
GLU A 234
 None
 0.66A 3raeA-1xruA:
undetectable
3raeC-1xruA:
undetectable		 3raeA-1xruA:
19.11
3raeC-1xruA:
22.73
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		3 SER A 121
GLY A 286
GLU A 306
 None
PLP  A 420 (-3.3A)
None
 0.68A 3raeA-2abjA:
undetectable
3raeC-2abjA:
undetectable		 3raeA-2abjA:
20.98
3raeC-2abjA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bdw HYPOTHETICAL PROTEIN
K11E8.1D

(Caenorhabditis
elegans) 		PF00069
(Pkinase) 		3 SER A  25
GLY A 158
GLU A 162
 None
 0.56A 3raeA-2bdwA:
1.8
3raeC-2bdwA:
undetectable		 3raeA-2bdwA:
20.90
3raeC-2bdwA:
24.09
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.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		3 SER A 253
GLY A 222
GLU A 175
 None
None
CAC  A 600 (-2.6A)
 0.68A 3raeA-2bvtA:
undetectable
3raeC-2bvtA:
undetectable		 3raeA-2bvtA:
23.50
3raeC-2bvtA:
20.09
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.
2cg9 ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		3 SER A 138
GLY A 100
GLU A 106
 None
ATP  A1678 (-3.3A)
None
 0.66A 3raeA-2cg9A:
undetectable
3raeC-2cg9A:
undetectable		 3raeA-2cg9A:
23.31
3raeC-2cg9A:
16.12
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.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE

(Bacillus
circulans) 		PF01761
(DHQ_synthase) 		3 SER A 308
GLY A 269
GLU A 243
 None
None
CO  A 604 ( 4.0A)
 0.68A 3raeA-2d2xA:
undetectable
3raeC-2d2xA:
2.3		 3raeA-2d2xA:
21.44
3raeC-2d2xA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d30 CYTIDINE DEAMINASE

(Bacillus
anthracis) 		PF00383
(dCMP_cyt_deam_1) 		3 SER A  22
GLY A  27
GLU A  12
 None
 0.53A 3raeA-2d30A:
undetectable
3raeC-2d30A:
undetectable		 3raeA-2d30A:
16.33
3raeC-2d30A:
23.60
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		3 SER A  83
GLY A  51
GLU A 422
 None
 0.54A 3raeA-2e3zA:
undetectable
3raeC-2e3zA:
undetectable		 3raeA-2e3zA:
21.44
3raeC-2e3zA:
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.
2eaa 7S GLOBULIN-3

(Vigna angularis) 		PF00190
(Cupin_1) 		3 SER A  51
GLY A 303
GLU A 318
 None
 0.66A 3raeA-2eaaA:
undetectable
3raeC-2eaaA:
undetectable		 3raeA-2eaaA:
22.26
3raeC-2eaaA:
21.76
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum) 		PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929) 		3 SER A 451
GLY A 159
GLU A 117
 None
 0.54A 3raeA-2eidA:
undetectable
3raeC-2eidA:
undetectable		 3raeA-2eidA:
21.86
3raeC-2eidA:
17.38
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 SER A 182
GLY A 105
GLU A  17
 None
 0.64A 3raeA-2f7lA:
undetectable
3raeC-2f7lA:
undetectable		 3raeA-2f7lA:
22.70
3raeC-2f7lA:
21.83
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.
2g4o 3-ISOPROPYLMALATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		3 SER A  72
GLY A   8
GLU A 267
 None
 0.62A 3raeA-2g4oA:
undetectable
3raeC-2g4oA:
2.1		 3raeA-2g4oA:
21.40
3raeC-2g4oA:
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.
2gbb PUTATIVE CHORISMATE
MUTASE

(Yersinia pestis) 		PF01817
(CM_2) 		3 SER A  80
GLY A 131
GLU A  42
 None
 0.69A 3raeA-2gbbA:
undetectable
3raeC-2gbbA:
undetectable		 3raeA-2gbbA:
16.49
3raeC-2gbbA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 3 SER I 129
GLY I 250
GLU I 244
 None
 0.64A 3raeA-2gk1I:
undetectable
3raeC-2gk1I:
undetectable		 3raeA-2gk1I:
21.90
3raeC-2gk1I:
20.04
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.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		3 SER A 231
GLY A 146
GLU A 129
 None
 0.64A 3raeA-2h39A:
undetectable
3raeC-2h39A:
undetectable		 3raeA-2h39A:
23.25
3raeC-2h39A:
19.44
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		3 SER A 335
GLY A 279
GLU A 253
 None
 0.68A 3raeA-2hj0A:
undetectable
3raeC-2hj0A:
undetectable		 3raeA-2hj0A:
25.48
3raeC-2hj0A:
19.12
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.
2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP

(Vibrio harveyi) 		PF13407
(Peripla_BP_4) 		3 SER A 363
GLY A 290
GLU A 186
 None
AI2  A 501 ( 4.6A)
None
 0.64A 3raeA-2hj9A:
undetectable
3raeC-2hj9A:
3.5		 3raeA-2hj9A:
21.43
3raeC-2hj9A:
20.06
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.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 SER A  42
GLY A 164
GLU A 170
 None
DIO  A 407 (-3.4A)
None
 0.66A 3raeA-2hjsA:
2.3
3raeC-2hjsA:
undetectable		 3raeA-2hjsA:
22.14
3raeC-2hjsA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hq1 GLUCOSE/RIBITOL
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		3 SER A  40
GLY A  18
GLU A 217
 None
 0.67A 3raeA-2hq1A:
undetectable
3raeC-2hq1A:
3.6		 3raeA-2hq1A:
19.33
3raeC-2hq1A:
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.
2i99 MU-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF02423
(OCD_Mu_crystall) 		3 SER A 150
GLY A 227
GLU A 257
 None
NDP  A 502 (-3.0A)
None
 0.62A 3raeA-2i99A:
undetectable
3raeC-2i99A:
undetectable		 3raeA-2i99A:
22.46
3raeC-2i99A:
22.73
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.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		3 SER A 137
GLY A 391
GLU A 154
 None
CSO  A 126 ( 4.5A)
None
 0.69A 3raeA-2ibuA:
undetectable
3raeC-2ibuA:
undetectable		 3raeA-2ibuA:
21.74
3raeC-2ibuA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		3 SER A 128
GLY A 384
GLU A 375
 None
 0.69A 3raeA-2ie8A:
undetectable
3raeC-2ie8A:
undetectable		 3raeA-2ie8A:
22.60
3raeC-2ie8A:
20.82
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.
2jf7 STRICTOSIDINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		3 SER A 121
GLY A  89
GLU A 472
 None
 0.51A 3raeA-2jf7A:
undetectable
3raeC-2jf7A:
undetectable		 3raeA-2jf7A:
23.96
3raeC-2jf7A:
19.09
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.
2jig PROLYL-4 HYDROXYLASE

(Chlamydomonas
reinhardtii) 		PF13640
(2OG-FeII_Oxy_3) 		3 SER A  90
GLY A 228
GLU A 177
 None
PD2  A1254 (-3.8A)
None
 0.62A 3raeA-2jigA:
1.6
3raeC-2jigA:
undetectable		 3raeA-2jigA:
16.47
3raeC-2jigA:
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.
2ki7 RIBONUCLEASE P
PROTEIN COMPONENT 1
RIBONUCLEASE P
PROTEIN COMPONENT 4

(Pyrococcus
furiosus) 		PF01868
(UPF0086)
PF04032
(Rpr2) 		3 SER B  32
GLY A  50
GLU A  67
 None
 0.63A 3raeA-2ki7B:
undetectable
3raeC-2ki7B:
undetectable		 3raeA-2ki7B:
11.51
3raeC-2ki7B:
16.80
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		3 SER A 372
GLY A 447
GLU A 482
 None
 0.67A 3raeA-2nlzA:
undetectable
3raeC-2nlzA:
undetectable		 3raeA-2nlzA:
22.20
3raeC-2nlzA:
20.52
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.
2nox TRYPTOPHAN
2,3-DIOXYGENASE

(Cupriavidus
metallidurans) 		PF03301
(Trp_dioxygenase) 		3 SER A 109
GLY A 240
GLU A 291
 None
 0.61A 3raeA-2noxA:
undetectable
3raeC-2noxA:
undetectable		 3raeA-2noxA:
20.24
3raeC-2noxA:
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.
2nzt HEXOKINASE-2

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		3 SER A 733
GLY A 710
GLU A 494
 None
 0.69A 3raeA-2nztA:
undetectable
3raeC-2nztA:
undetectable		 3raeA-2nztA:
21.41
3raeC-2nztA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		3 SER A 282
GLY A  18
GLU A  49
 None
 0.52A 3raeA-2o3jA:
undetectable
3raeC-2o3jA:
undetectable		 3raeA-2o3jA:
23.89
3raeC-2o3jA:
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.
2oez UPF0289 PROTEIN
VP2528

(Vibrio
parahaemolyticus) 		PF07072
(ZapD) 		3 SER A  72
GLY A 178
GLU A   7
 None
 0.69A 3raeA-2oezA:
undetectable
3raeC-2oezA:
undetectable		 3raeA-2oezA:
18.74
3raeC-2oezA:
20.82
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.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		3 SER A 684
GLY A 610
GLU A 514
 None
 0.52A 3raeA-2olsA:
1.4
3raeC-2olsA:
undetectable		 3raeA-2olsA:
23.91
3raeC-2olsA:
15.31
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.
2or0 HYDROXYLASE

(Rhodococcus
jostii) 		PF08028
(Acyl-CoA_dh_2) 		3 SER A 160
GLY A 385
GLU A 382
 None
 0.69A 3raeA-2or0A:
undetectable
3raeC-2or0A:
undetectable		 3raeA-2or0A:
21.26
3raeC-2or0A:
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.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A  94
GLY A 264
GLU A 213
 None
None
MG  A 402 (-3.3A)
 0.67A 3raeA-2ox4A:
undetectable
3raeC-2ox4A:
undetectable		 3raeA-2ox4A:
24.58
3raeC-2ox4A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2w CITRATE SYNTHASE

(Thermotoga
maritima) 		PF00285
(Citrate_synt) 		3 SER A  99
GLY A 204
GLU A 216
 None
 0.69A 3raeA-2p2wA:
undetectable
3raeC-2p2wA:
undetectable		 3raeA-2p2wA:
20.86
3raeC-2p2wA:
18.66
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		3 SER A1249
GLY A1645
GLU A1553
 None
 0.69A 3raeA-2pffA:
undetectable
3raeC-2pffA:
2.4		 3raeA-2pffA:
13.22
3raeC-2pffA:
9.18
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.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		3 SER A  43
GLY A 277
GLU A 286
 None
 0.68A 3raeA-2phlA:
undetectable
3raeC-2phlA:
undetectable		 3raeA-2phlA:
22.20
3raeC-2phlA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		3 SER A 181
GLY A  17
GLU A 129
 None
 0.69A 3raeA-2qcvA:
undetectable
3raeC-2qcvA:
undetectable		 3raeA-2qcvA:
20.92
3raeC-2qcvA:
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.
2qe7 ATP SYNTHASE SUBUNIT
BETA

(Bacillus sp.
TA2.A1) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		3 SER D 342
GLY D 156
GLU D 187
 None
 0.68A 3raeA-2qe7D:
undetectable
3raeC-2qe7D:
undetectable		 3raeA-2qe7D:
21.58
3raeC-2qe7D:
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.
2qjc DIADENOSINE
TETRAPHOSPHATASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00149
(Metallophos) 		3 SER A 114
GLY A  29
GLU A  35
 None
 0.50A 3raeA-2qjcA:
undetectable
3raeC-2qjcA:
undetectable		 3raeA-2qjcA:
19.56
3raeC-2qjcA:
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.
2rfo NUCLEOPORIN NIC96

(Saccharomyces
cerevisiae) 		PF04097
(Nic96) 		3 SER A 377
GLY A 416
GLU A 393
 None
 0.62A 3raeA-2rfoA:
undetectable
3raeC-2rfoA:
undetectable		 3raeA-2rfoA:
22.25
3raeC-2rfoA:
16.36
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		3 SER A 236
GLY A 386
GLU A 449
 None
 0.67A 3raeA-2uvfA:
undetectable
3raeC-2uvfA:
undetectable		 3raeA-2uvfA:
21.73
3raeC-2uvfA:
18.94
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.
2w4e MUTT/NUDIX FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		3 SER A 134
GLY A  95
GLU A 113
 None
 0.69A 3raeA-2w4eA:
undetectable
3raeC-2w4eA:
undetectable		 3raeA-2w4eA:
13.50
3raeC-2w4eA:
19.40
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.
2wy3 MHC CLASS I
POLYPEPTIDE-RELATED
SEQUENCE B
UNCHARACTERIZED
PROTEIN UL16

(Homo sapiens;
Human
betaherpesvirus
5) 		PF00129
(MHC_I)
PF17622
(UL16) 		3 SER B 127
GLY A 106
GLU A  92
 None
 0.66A 3raeA-2wy3B:
undetectable
3raeC-2wy3B:
undetectable		 3raeA-2wy3B:
13.96
3raeC-2wy3B:
17.41
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		3 SER A 463
GLY A 638
GLU A 621
 None
 0.68A 3raeA-2x05A:
undetectable
3raeC-2x05A:
undetectable		 3raeA-2x05A:
18.25
3raeC-2x05A:
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.
2x8u SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
wittichii) 		PF00155
(Aminotran_1_2) 		3 SER A 306
GLY A 215
GLU A 182
 None
None
PLP  A1245 (-4.0A)
 0.66A 3raeA-2x8uA:
undetectable
3raeC-2x8uA:
undetectable		 3raeA-2x8uA:
23.30
3raeC-2x8uA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		3 SER A 486
GLY A 201
GLU A 558
 None
 0.65A 3raeA-2xn1A:
undetectable
3raeC-2xn1A:
undetectable		 3raeA-2xn1A:
22.37
3raeC-2xn1A:
17.17
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.
2xsw 72 KDA INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		3 SER A 582
GLY A 476
GLU A 525
 None
 0.64A 3raeA-2xswA:
undetectable
3raeC-2xswA:
undetectable		 3raeA-2xswA:
22.82
3raeC-2xswA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		3 SER A 475
GLY A 373
GLU A 381
 None
 0.58A 3raeA-2y6iA:
4.0
3raeC-2y6iA:
undetectable		 3raeA-2y6iA:
22.15
3raeC-2y6iA:
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.
2z06 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0625

(Thermus
thermophilus) 		PF13277
(YmdB) 		3 SER A 199
GLY A 192
GLU A 143
 None
 0.68A 3raeA-2z06A:
undetectable
3raeC-2z06A:
undetectable		 3raeA-2z06A:
17.92
3raeC-2z06A:
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		3 SER A 443
GLY A 144
GLU A  41
 None
 0.67A 3raeA-3a2qA:
1.0
3raeC-3a2qA:
undetectable		 3raeA-3a2qA:
21.96
3raeC-3a2qA:
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.
3b4r PUTATIVE ZINC
METALLOPROTEASE
MJ0392

(Methanocaldococcus
jannaschii) 		PF02163
(Peptidase_M50) 		3 SER A 102
GLY A 149
GLU A 207
 None
 0.56A 3raeA-3b4rA:
undetectable
3raeC-3b4rA:
undetectable		 3raeA-3b4rA:
19.96
3raeC-3b4rA:
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.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN

(Idiomarina
baltica) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		3 SER A  50
GLY A 184
GLU A 159
 None
None
GOL  A 463 ( 4.9A)
 0.68A 3raeA-3bq9A:
undetectable
3raeC-3bq9A:
undetectable		 3raeA-3bq9A:
25.55
3raeC-3bq9A:
20.27
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.
3bvp TP901-1 INTEGRASE

(Lactococcus
phage TP901-1) 		PF00239
(Resolvase) 		3 SER A 107
GLY A  52
GLU A  56
 None
 0.69A 3raeA-3bvpA:
undetectable
3raeC-3bvpA:
3.5		 3raeA-3bvpA:
15.38
3raeC-3bvpA:
20.22
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.
3c28 RECOMBINASE CRE

(Escherichia
virus P1) 		PF00589
(Phage_integrase) 		3 SER A  51
GLY A  82
GLU A 123
 None
 0.69A 3raeA-3c28A:
undetectable
3raeC-3c28A:
undetectable		 3raeA-3c28A:
20.78
3raeC-3c28A:
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.
3cnh HYDROLASE FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		3 SER A 133
GLY A  18
GLU A  22
 None
 0.67A 3raeA-3cnhA:
undetectable
3raeC-3cnhA:
2.6		 3raeA-3cnhA:
17.75
3raeC-3cnhA:
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		3 SER A 150
GLY A 213
GLU A 241
 None
 0.61A 3raeA-3e0lA:
undetectable
3raeC-3e0lA:
undetectable		 3raeA-3e0lA:
24.30
3raeC-3e0lA:
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 SER A 188
GLY A 196
GLU A 220
 None
 0.62A 3raeA-3ecqA:
undetectable
3raeC-3ecqA:
undetectable		 3raeA-3ecqA:
16.20
3raeC-3ecqA:
10.66
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		3 SER A  79
GLY A  34
GLU A 191
 None
 0.69A 3raeA-3emyA:
undetectable
3raeC-3emyA:
undetectable		 3raeA-3emyA:
20.71
3raeC-3emyA:
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		3 SER A 182
GLY A 200
GLU A  90
 None
MCF  A 372 (-3.4A)
None
 0.58A 3raeA-3ewdA:
undetectable
3raeC-3ewdA:
undetectable		 3raeA-3ewdA:
22.92
3raeC-3ewdA:
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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 SER A 546
GLY A 208
GLU A 123
 None
 0.68A 3raeA-3g4fA:
undetectable
3raeC-3g4fA:
undetectable		 3raeA-3g4fA:
24.07
3raeC-3g4fA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		3 SER A 265
GLY A 148
GLU A  95
 None
None
GOL  A 311 (-3.5A)
 0.69A 3raeA-3hc1A:
undetectable
3raeC-3hc1A:
undetectable		 3raeA-3hc1A:
22.00
3raeC-3hc1A:
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.
3hn2 2-DEHYDROPANTOATE
2-REDUCTASE

(Geobacter
metallireducens) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		3 SER A 128
GLY A  74
GLU A 107
 None
 0.66A 3raeA-3hn2A:
2.3
3raeC-3hn2A:
undetectable		 3raeA-3hn2A:
23.55
3raeC-3hn2A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		3 SER A 271
GLY A 317
GLU A 164
 None
 0.53A 3raeA-3htxA:
undetectable
3raeC-3htxA:
2.1		 3raeA-3htxA:
19.75
3raeC-3htxA:
14.92
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.
3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		3 SER A 145
GLY A 101
GLU A 105
 SER  A 145 (-0.0A)
GLY  A 101 ( 0.0A)
GLU  A 105 ( 0.6A)
 0.49A 3raeA-3iccA:
undetectable
3raeC-3iccA:
3.0		 3raeA-3iccA:
20.69
3raeC-3iccA:
24.37
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		3 SER A 160
GLY A 190
GLU A 404
 None
 0.50A 3raeA-3ie1A:
undetectable
3raeC-3ie1A:
undetectable		 3raeA-3ie1A:
21.92
3raeC-3ie1A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		3 SER A  43
GLY A   9
GLU A  86
 None
 0.64A 3raeA-3iuuA:
undetectable
3raeC-3iuuA:
undetectable		 3raeA-3iuuA:
22.72
3raeC-3iuuA:
19.80
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 SER A 312
GLY A 352
GLU A 361
 None
 0.64A 3raeA-3iwaA:
undetectable
3raeC-3iwaA:
undetectable		 3raeA-3iwaA:
24.36
3raeC-3iwaA:
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.
3k1u BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		3 SER A 242
GLY A 312
GLU A 252
 None
 0.66A 3raeA-3k1uA:
undetectable
3raeC-3k1uA:
undetectable		 3raeA-3k1uA:
22.73
3raeC-3k1uA:
20.73
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		3 SER A4087
GLY A4116
GLU A4067
 None
 0.59A 3raeA-3kciA:
undetectable
3raeC-3kciA:
undetectable		 3raeA-3kciA:
21.06
3raeC-3kciA:
23.94
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.
3ks7 PUTATIVE PUTATIVE
PNGASE F

(Bacteroides
fragilis) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		3 SER A 164
GLY A 367
GLU A 293
 None
 0.56A 3raeA-3ks7A:
undetectable
3raeC-3ks7A:
undetectable		 3raeA-3ks7A:
23.06
3raeC-3ks7A:
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.
3kyh MRNA-CAPPING ENZYME
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		3 SER C 387
GLY C 226
GLU C 132
 None
 0.69A 3raeA-3kyhC:
undetectable
3raeC-3kyhC:
undetectable		 3raeA-3kyhC:
23.43
3raeC-3kyhC:
20.21
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		3 SER B 420
GLY B 107
GLU B  83
 None
 0.65A 3raeA-3m2rB:
undetectable
3raeC-3m2rB:
undetectable		 3raeA-3m2rB:
21.37
3raeC-3m2rB:
19.15