SIMILAR PATTERNS OF AMINO ACIDS FOR 6BOC_A_EU7A102

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.
1a76 FLAP ENDONUCLEASE-1
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 SER A 171
ALA A 181
ALA A 157
SER A 158
 None
 0.74A 6bocA-1a76A:
undetectable
6bocB-1a76A:
undetectable
6bocC-1a76A:
undetectable
6bocD-1a76A:
undetectable		 6bocA-1a76A:
9.30
6bocB-1a76A:
9.30
6bocC-1a76A:
9.30
6bocD-1a76A:
9.30
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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		4 SER A  59
SER A  56
ALA A 187
ALA A  62
 None
 1.02A 6bocA-1bueA:
undetectable
6bocB-1bueA:
undetectable
6bocC-1bueA:
undetectable
6bocD-1bueA:
undetectable		 6bocA-1bueA:
5.66
6bocB-1bueA:
5.66
6bocC-1bueA:
5.66
6bocD-1bueA:
5.66
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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		4 ALA A 369
SER A 531
ALA A 372
SER A 370
 None
 1.04A 6bocA-1cleA:
undetectable
6bocB-1cleA:
undetectable
6bocC-1cleA:
undetectable
6bocD-1cleA:
undetectable		 6bocA-1cleA:
7.72
6bocB-1cleA:
7.72
6bocC-1cleA:
7.72
6bocD-1cleA:
7.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		4 ALA A 369
SER A 531
ALA A 372
SER A 370
 None
 1.05A 6bocA-1crlA:
undetectable
6bocB-1crlA:
undetectable
6bocC-1crlA:
undetectable
6bocD-1crlA:
undetectable		 6bocA-1crlA:
4.58
6bocB-1crlA:
4.58
6bocC-1crlA:
4.58
6bocD-1crlA:
4.58
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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		4 SER A 226
ALA A 214
SER A 224
ALA A 263
 None
 0.78A 6bocA-1cttA:
undetectable
6bocB-1cttA:
undetectable
6bocC-1cttA:
undetectable
6bocD-1cttA:
undetectable		 6bocA-1cttA:
6.80
6bocB-1cttA:
6.80
6bocC-1cttA:
6.80
6bocD-1cttA:
6.80
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 107
ALA A 296
SER A 295
ALA A 100
 FAD  A 600 (-3.4A)
None
None
None
 1.02A 6bocA-1gpeA:
undetectable
6bocB-1gpeA:
undetectable
6bocC-1gpeA:
undetectable
6bocD-1gpeA:
undetectable		 6bocA-1gpeA:
4.93
6bocB-1gpeA:
4.93
6bocC-1gpeA:
4.93
6bocD-1gpeA:
4.93
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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		4 SER A 159
ALA A 278
SER A 277
ALA A 208
 PA5  A 600 (-3.4A)
None
None
None
 0.84A 6bocA-1gzvA:
undetectable
6bocB-1gzvA:
undetectable
6bocC-1gzvA:
undetectable
6bocD-1gzvA:
undetectable		 6bocA-1gzvA:
3.95
6bocB-1gzvA:
3.95
6bocC-1gzvA:
3.95
6bocD-1gzvA:
3.95
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.
1o75 47 KDA MEMBRANE
ANTIGEN

(Treponema
pallidum) 		PF14888
(PBP-Tp47_c)
PF14889
(PBP-Tp47_a) 		4 SER A 110
ALA A 128
ALA A 109
SER A 108
 None
 1.03A 6bocA-1o75A:
undetectable
6bocB-1o75A:
undetectable
6bocC-1o75A:
undetectable
6bocD-1o75A:
undetectable		 6bocA-1o75A:
5.35
6bocB-1o75A:
5.35
6bocC-1o75A:
5.35
6bocD-1o75A:
5.35
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 SER A 361
ALA A 311
ALA A 386
SER A 385
 None
 1.03A 6bocA-1ot5A:
undetectable
6bocB-1ot5A:
undetectable
6bocC-1ot5A:
undetectable
6bocD-1ot5A:
undetectable		 6bocA-1ot5A:
4.50
6bocB-1ot5A:
4.50
6bocC-1ot5A:
4.50
6bocD-1ot5A:
4.50
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 SER A 361
ALA A 311
SER A 312
ALA A 386
 None
 0.94A 6bocA-1ot5A:
undetectable
6bocB-1ot5A:
undetectable
6bocC-1ot5A:
undetectable
6bocD-1ot5A:
undetectable		 6bocA-1ot5A:
4.50
6bocB-1ot5A:
4.50
6bocC-1ot5A:
4.50
6bocD-1ot5A:
4.50
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.
1ox4 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
HISHF

(Saccharomyces
cerevisiae) 		PF00117
(GATase)
PF00977
(His_biosynth) 		4 SER B  11
ALA B 350
SER B 351
ALA B 398
 None
 0.81A 6bocA-1ox4B:
undetectable
6bocB-1ox4B:
undetectable
6bocC-1ox4B:
undetectable
6bocD-1ox4B:
undetectable		 6bocA-1ox4B:
3.68
6bocB-1ox4B:
3.68
6bocC-1ox4B:
3.68
6bocD-1ox4B:
3.68
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 ALA 1  81
SER 1  69
ALA 1 104
SER 1 105
 None
 1.00A 6bocA-1wao1:
undetectable
6bocB-1wao1:
undetectable
6bocC-1wao1:
undetectable
6bocD-1wao1:
undetectable		 6bocA-1wao1:
4.03
6bocB-1wao1:
4.03
6bocC-1wao1:
4.03
6bocD-1wao1:
4.03
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.
2bug SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00515
(TPR_1)
PF13181
(TPR_8) 		4 ALA A  81
SER A  69
ALA A 104
SER A 105
 None
 0.81A 6bocA-2bugA:
undetectable
6bocB-2bugA:
undetectable
6bocC-2bugA:
undetectable
6bocD-2bugA:
undetectable		 6bocA-2bugA:
13.59
6bocB-2bugA:
13.59
6bocC-2bugA:
13.59
6bocD-2bugA:
13.59
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		4 SER A 160
ALA A 279
SER A 278
ALA A 209
 PO4  A1601 (-2.7A)
None
None
None
 0.80A 6bocA-2cxnA:
undetectable
6bocB-2cxnA:
undetectable
6bocC-2cxnA:
undetectable
6bocD-2cxnA:
undetectable		 6bocA-2cxnA:
4.28
6bocB-2cxnA:
4.28
6bocC-2cxnA:
4.28
6bocD-2cxnA:
4.28
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.
2d3r LECTIN ALPHA CHAIN

(Cratylia
argentea) 		PF00139
(Lectin_legB) 		4 SER A 108
ALA A 192
SER A 110
ALA A  50
 None
 1.04A 6bocA-2d3rA:
undetectable
6bocB-2d3rA:
undetectable
6bocC-2d3rA:
undetectable
6bocD-2d3rA:
undetectable		 6bocA-2d3rA:
8.73
6bocB-2d3rA:
8.73
6bocC-2d3rA:
8.73
6bocD-2d3rA:
8.73
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 SER A 221
SER A 269
ALA A 224
ALA A 217
 None
 0.86A 6bocA-2ecfA:
undetectable
6bocB-2ecfA:
undetectable
6bocC-2ecfA:
undetectable
6bocD-2ecfA:
undetectable		 6bocA-2ecfA:
4.50
6bocB-2ecfA:
4.50
6bocC-2ecfA:
4.50
6bocD-2ecfA:
4.50
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.
2gzs IROE PROTEIN

(Escherichia
coli) 		PF00756
(Esterase) 		5 SER A 245
ALA A 211
SER A 212
ALA A 293
SER A 294
 None
 1.15A 6bocA-2gzsA:
undetectable
6bocB-2gzsA:
undetectable
6bocC-2gzsA:
undetectable
6bocD-2gzsA:
undetectable		 6bocA-2gzsA:
6.50
6bocB-2gzsA:
6.50
6bocC-2gzsA:
6.50
6bocD-2gzsA:
6.50
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.
2hb6 LEUCINE
AMINOPEPTIDASE 1

(Caenorhabditis
elegans) 		PF00883
(Peptidase_M17) 		4 SER A  92
ALA A  61
SER A  62
ALA A  80
 None
 1.03A 6bocA-2hb6A:
undetectable
6bocB-2hb6A:
undetectable
6bocC-2hb6A:
undetectable
6bocD-2hb6A:
undetectable		 6bocA-2hb6A:
5.60
6bocB-2hb6A:
5.60
6bocC-2hb6A:
5.60
6bocD-2hb6A:
5.60
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.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		4 SER A  94
ALA A  97
ALA A 102
SER A 101
 None
 1.03A 6bocA-2i4cA:
undetectable
6bocB-2i4cA:
undetectable
6bocC-2i4cA:
undetectable
6bocD-2i4cA:
undetectable		 6bocA-2i4cA:
4.98
6bocB-2i4cA:
4.98
6bocC-2i4cA:
4.98
6bocD-2i4cA:
4.98
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		4 SER A 343
ALA A 347
ALA A 106
SER A 107
 None
 0.94A 6bocA-2i7xA:
undetectable
6bocB-2i7xA:
undetectable
6bocC-2i7xA:
undetectable
6bocD-2i7xA:
undetectable		 6bocA-2i7xA:
3.47
6bocB-2i7xA:
3.47
6bocC-2i7xA:
3.47
6bocD-2i7xA:
3.47
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.
2k3n TUSP1

(Nephila
antipodiana) 		PF12042
(RP1-2) 		4 SER A  20
ALA A  25
ALA A 115
SER A 116
 None
 0.92A 6bocA-2k3nA:
undetectable
6bocB-2k3nA:
undetectable
6bocC-2k3nA:
undetectable
6bocD-2k3nA:
undetectable		 6bocA-2k3nA:
12.80
6bocB-2k3nA:
12.80
6bocC-2k3nA:
12.80
6bocD-2k3nA:
12.80
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.
2kyh VOLTAGE-GATED
POTASSIUM CHANNEL

(Aeropyrum
pernix) 		no annotation 4 SER A 135
ALA A 140
SER A 139
ALA A  35
 None
 0.86A 6bocA-2kyhA:
undetectable
6bocB-2kyhA:
undetectable
6bocC-2kyhA:
undetectable
6bocD-2kyhA:
undetectable		 6bocA-2kyhA:
13.79
6bocB-2kyhA:
13.79
6bocC-2kyhA:
13.79
6bocD-2kyhA:
13.79
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		4 SER A 208
ALA A 332
SER A 331
ALA A 257
 G6Q  A5001 (-2.7A)
None
None
None
 0.77A 6bocA-2o2cA:
undetectable
6bocB-2o2cA:
undetectable
6bocC-2o2cA:
undetectable
6bocD-2o2cA:
undetectable		 6bocA-2o2cA:
5.47
6bocB-2o2cA:
5.47
6bocC-2o2cA:
5.47
6bocD-2o2cA:
5.47
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.
2ow4 CANAVALIA MARITIMA
LECTIN

(Canavalia rosea) 		PF00139
(Lectin_legB) 		4 SER A 108
ALA A 193
SER A 110
ALA A  50
 None
 0.99A 6bocA-2ow4A:
undetectable
6bocB-2ow4A:
undetectable
6bocC-2ow4A:
undetectable
6bocD-2ow4A:
undetectable		 6bocA-2ow4A:
7.83
6bocB-2ow4A:
7.83
6bocC-2ow4A:
7.83
6bocD-2ow4A:
7.83
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.
2p3v INOSITOL-1-MONOPHOSP
HATASE

(Thermotoga
maritima) 		PF00459
(Inositol_P) 		4 SER A1097
SER A1095
ALA A1181
ALA A1204
 None
 0.97A 6bocA-2p3vA:
undetectable
6bocB-2p3vA:
undetectable
6bocC-2p3vA:
undetectable
6bocD-2p3vA:
undetectable		 6bocA-2p3vA:
6.64
6bocB-2p3vA:
6.64
6bocC-2p3vA:
6.64
6bocD-2p3vA:
6.64
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.
2p3v INOSITOL-1-MONOPHOSP
HATASE

(Thermotoga
maritima) 		PF00459
(Inositol_P) 		4 SER A1097
SER A1095
ALA A1182
ALA A1204
 None
 1.03A 6bocA-2p3vA:
undetectable
6bocB-2p3vA:
undetectable
6bocC-2p3vA:
undetectable
6bocD-2p3vA:
undetectable		 6bocA-2p3vA:
6.64
6bocB-2p3vA:
6.64
6bocC-2p3vA:
6.64
6bocD-2p3vA:
6.64
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		4 ALA A 277
SER A 276
ALA A 299
SER A 298
 None
None
PGE  A 332 (-3.6A)
None
 0.79A 6bocA-2qcvA:
undetectable
6bocB-2qcvA:
undetectable
6bocC-2qcvA:
undetectable
6bocD-2qcvA:
undetectable		 6bocA-2qcvA:
5.17
6bocB-2qcvA:
5.17
6bocC-2qcvA:
5.17
6bocD-2qcvA:
5.17
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		4 SER A 149
ALA A 430
ALA A 452
SER A 451
 MDO  A 152 ( 4.0A)
None
None
None
 0.88A 6bocA-2qveA:
undetectable
6bocB-2qveA:
undetectable
6bocC-2qveA:
undetectable
6bocD-2qveA:
undetectable		 6bocA-2qveA:
4.36
6bocB-2qveA:
4.36
6bocC-2qveA:
4.36
6bocD-2qveA:
4.36
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 SER A 209
SER A 277
ALA A 340
SER A 341
 None
 0.92A 6bocA-2vbiA:
undetectable
6bocB-2vbiA:
undetectable
6bocC-2vbiA:
undetectable
6bocD-2vbiA:
undetectable		 6bocA-2vbiA:
3.85
6bocB-2vbiA:
3.85
6bocC-2vbiA:
3.85
6bocD-2vbiA:
3.85
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 SER A 209
SER A 277
ALA A 340
SER A 341
 None
 0.93A 6bocA-2vbiA:
undetectable
6bocB-2vbiA:
undetectable
6bocC-2vbiA:
undetectable
6bocD-2vbiA:
undetectable		 6bocA-2vbiA:
3.85
6bocB-2vbiA:
3.85
6bocC-2vbiA:
3.85
6bocD-2vbiA:
3.85
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 ALA A 240
SER A 237
ALA A 213
SER A 214
 None
NDP  A 600 (-3.0A)
None
NDP  A 600 (-2.7A)
 1.05A 6bocA-2vn8A:
undetectable
6bocB-2vn8A:
undetectable
6bocC-2vn8A:
undetectable
6bocD-2vn8A:
undetectable		 6bocA-2vn8A:
7.56
6bocB-2vn8A:
7.56
6bocC-2vn8A:
7.56
6bocD-2vn8A:
7.56
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		4 SER A 160
ALA A 278
SER A 277
ALA A 209
 None
 0.81A 6bocA-2wu8A:
undetectable
6bocB-2wu8A:
undetectable
6bocC-2wu8A:
undetectable
6bocD-2wu8A:
undetectable		 6bocA-2wu8A:
4.01
6bocB-2wu8A:
4.01
6bocC-2wu8A:
4.01
6bocD-2wu8A:
4.01
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 SER A 854
ALA A 893
SER A 894
SER A 858
 None
 0.87A 6bocA-2yhgA:
undetectable
6bocB-2yhgA:
undetectable
6bocC-2yhgA:
undetectable
6bocD-2yhgA:
undetectable		 6bocA-2yhgA:
5.63
6bocB-2yhgA:
5.63
6bocC-2yhgA:
5.63
6bocD-2yhgA:
5.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 SER A 858
SER A 854
ALA A 893
SER A 894
 None
 0.88A 6bocA-2yhgA:
undetectable
6bocB-2yhgA:
undetectable
6bocC-2yhgA:
undetectable
6bocD-2yhgA:
undetectable		 6bocA-2yhgA:
5.63
6bocB-2yhgA:
5.63
6bocC-2yhgA:
5.63
6bocD-2yhgA:
5.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		4 SER A 171
ALA A 139
ALA A 176
SER A 175
 UNU  A 522 ( 4.8A)
None
None
None
 0.89A 6bocA-3a1iA:
undetectable
6bocB-3a1iA:
undetectable
6bocC-3a1iA:
undetectable
6bocD-3a1iA:
undetectable		 6bocA-3a1iA:
4.46
6bocB-3a1iA:
4.46
6bocC-3a1iA:
4.46
6bocD-3a1iA:
4.46
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.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		4 SER B  77
ALA B 334
SER B 335
ALA B 399
 None
 0.99A 6bocA-3adaB:
undetectable
6bocB-3adaB:
undetectable
6bocC-3adaB:
undetectable
6bocD-3adaB:
undetectable		 6bocA-3adaB:
4.88
6bocB-3adaB:
4.88
6bocC-3adaB:
4.88
6bocD-3adaB:
4.88
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.
3cwc PUTATIVE GLYCERATE
KINASE 2

(Salmonella
enterica) 		PF02595
(Gly_kinase) 		4 SER A  15
ALA A  22
ALA A 358
SER A 359
 None
None
None
EDO  A 402 ( 3.7A)
 0.77A 6bocA-3cwcA:
undetectable
6bocB-3cwcA:
undetectable
6bocC-3cwcA:
undetectable
6bocD-3cwcA:
undetectable		 6bocA-3cwcA:
5.22
6bocB-3cwcA:
5.22
6bocC-3cwcA:
5.22
6bocD-3cwcA:
5.22
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.
3dfu UNCHARACTERIZED
PROTEIN FROM
6-PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
FAMILY

(Corynebacterium
glutamicum) 		PF10727
(Rossmann-like) 		4 SER A 170
ALA A 155
SER A 156
ALA A 177
 None
 0.93A 6bocA-3dfuA:
undetectable
6bocB-3dfuA:
undetectable
6bocC-3dfuA:
undetectable
6bocD-3dfuA:
undetectable		 6bocA-3dfuA:
8.25
6bocB-3dfuA:
8.25
6bocC-3dfuA:
8.25
6bocD-3dfuA:
8.25
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.
3dpr PROTEIN VP3

(Rhinovirus A) 		PF00073
(Rhv) 		4 SER C 171
SER C 185
SER C 183
ALA C 172
 None
 1.04A 6bocA-3dprC:
undetectable
6bocB-3dprC:
undetectable
6bocC-3dprC:
undetectable
6bocD-3dprC:
undetectable		 6bocA-3dprC:
9.09
6bocB-3dprC:
9.09
6bocC-3dprC:
9.09
6bocD-3dprC:
9.09
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.
3dpr PROTEIN VP3

(Rhinovirus A) 		PF00073
(Rhv) 		4 SER C 185
SER C 183
ALA C 172
SER C 171
 None
 1.04A 6bocA-3dprC:
undetectable
6bocB-3dprC:
undetectable
6bocC-3dprC:
undetectable
6bocD-3dprC:
undetectable		 6bocA-3dprC:
9.09
6bocB-3dprC:
9.09
6bocC-3dprC:
9.09
6bocD-3dprC:
9.09
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.
3e03 SHORT CHAIN
DEHYDROGENASE

(Xanthomonas
campestris) 		PF13561
(adh_short_C2) 		4 SER A  40
ALA A  54
SER A  53
ALA A  38
 None
 0.94A 6bocA-3e03A:
undetectable
6bocB-3e03A:
undetectable
6bocC-3e03A:
undetectable
6bocD-3e03A:
undetectable		 6bocA-3e03A:
7.14
6bocB-3e03A:
7.14
6bocC-3e03A:
7.14
6bocD-3e03A:
7.14
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 313
ALA A 318
SER A 317
ALA A 271
 None
 0.91A 6bocA-3e1hA:
undetectable
6bocB-3e1hA:
undetectable
6bocC-3e1hA:
undetectable
6bocD-3e1hA:
undetectable		 6bocA-3e1hA:
4.95
6bocB-3e1hA:
4.95
6bocC-3e1hA:
4.95
6bocD-3e1hA:
4.95
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.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		5 SER A 159
ALA A 679
SER A 680
ALA A 126
SER A 123
 None
 1.32A 6bocA-3fqdA:
undetectable
6bocB-3fqdA:
undetectable
6bocC-3fqdA:
undetectable
6bocD-3fqdA:
undetectable		 6bocA-3fqdA:
2.72
6bocB-3fqdA:
2.72
6bocC-3fqdA:
2.72
6bocD-3fqdA:
2.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gem SHORT CHAIN
DEHYDROGENASE

(Pseudomonas
savastanoi) 		PF13561
(adh_short_C2) 		4 ALA A   6
SER A   5
ALA A 124
SER A  77
 None
 1.00A 6bocA-3gemA:
undetectable
6bocB-3gemA:
undetectable
6bocC-3gemA:
undetectable
6bocD-3gemA:
undetectable		 6bocA-3gemA:
7.60
6bocB-3gemA:
7.60
6bocC-3gemA:
7.60
6bocD-3gemA:
7.60
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.
3gmw BETA-LACTAMASE
INHIBITORY PROTEIN
BLIP-I

(Streptomyces
exfoliatus) 		PF07467
(BLIP) 		4 ALA B 139
SER B 140
ALA B 129
SER B 138
 None
PO4  B   1 (-2.3A)
None
None
 1.04A 6bocA-3gmwB:
undetectable
6bocB-3gmwB:
undetectable
6bocC-3gmwB:
undetectable
6bocD-3gmwB:
undetectable		 6bocA-3gmwB:
8.97
6bocB-3gmwB:
8.97
6bocC-3gmwB:
8.97
6bocD-3gmwB:
8.97
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.
3hjb GLUCOSE-6-PHOSPHATE
ISOMERASE

(Vibrio cholerae) 		PF00342
(PGI) 		4 SER A 159
ALA A 277
SER A 276
ALA A 207
 None
 0.82A 6bocA-3hjbA:
undetectable
6bocB-3hjbA:
undetectable
6bocC-3hjbA:
undetectable
6bocD-3hjbA:
undetectable		 6bocA-3hjbA:
5.52
6bocB-3hjbA:
5.52
6bocC-3hjbA:
5.52
6bocD-3hjbA:
5.52
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.
3iv4 PUTATIVE
OXIDOREDUCTASE

(Staphylococcus
aureus) 		PF11009
(DUF2847) 		4 SER A  33
SER A  76
ALA A  79
ALA A  36
 None
 0.92A 6bocA-3iv4A:
undetectable
6bocB-3iv4A:
undetectable
6bocC-3iv4A:
undetectable
6bocD-3iv4A:
undetectable		 6bocA-3iv4A:
12.04
6bocB-3iv4A:
12.04
6bocC-3iv4A:
12.04
6bocD-3iv4A:
12.04
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.
3kmv ALPHA-L-ARABINOFURAN
OSIDASE B

(Ruminiclostridium
thermocellum) 		PF05270
(AbfB) 		4 SER A  73
SER A  78
ALA A  92
SER A  91
 None
 1.02A 6bocA-3kmvA:
undetectable
6bocB-3kmvA:
undetectable
6bocC-3kmvA:
undetectable
6bocD-3kmvA:
undetectable		 6bocA-3kmvA:
11.92
6bocB-3kmvA:
11.92
6bocC-3kmvA:
11.92
6bocD-3kmvA:
11.92
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.
3kmv ALPHA-L-ARABINOFURAN
OSIDASE B

(Ruminiclostridium
thermocellum) 		PF05270
(AbfB) 		4 SER A  91
SER A  73
SER A  78
ALA A  92
 None
 0.99A 6bocA-3kmvA:
undetectable
6bocB-3kmvA:
undetectable
6bocC-3kmvA:
undetectable
6bocD-3kmvA:
undetectable		 6bocA-3kmvA:
11.92
6bocB-3kmvA:
11.92
6bocC-3kmvA:
11.92
6bocD-3kmvA:
11.92
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 SER A 158
ALA A 276
SER A 275
ALA A 206
 None
 0.80A 6bocA-3nbuA:
undetectable
6bocB-3nbuA:
undetectable
6bocC-3nbuA:
undetectable
6bocD-3nbuA:
undetectable		 6bocA-3nbuA:
5.87
6bocB-3nbuA:
5.87
6bocC-3nbuA:
5.87
6bocD-3nbuA:
5.87
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.
3ow2 50S RIBOSOMAL
PROTEIN L2P

(Haloarcula
marismortui) 		PF00181
(Ribosomal_L2)
PF03947
(Ribosomal_L2_C) 		4 ALA A  53
SER A  52
ALA A 121
SER A 122
 None
A  01653 ( 2.6A)
A  01875 ( 3.3A)
C  01876 ( 4.6A)
 0.90A 6bocA-3ow2A:
undetectable
6bocB-3ow2A:
undetectable
6bocC-3ow2A:
undetectable
6bocD-3ow2A:
undetectable		 6bocA-3ow2A:
6.33
6bocB-3ow2A:
6.33
6bocC-3ow2A:
6.33
6bocD-3ow2A:
6.33
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A  14
ALA A 338
ALA A 233
SER A 335
 None
 1.03A 6bocA-3oytA:
undetectable
6bocB-3oytA:
undetectable
6bocC-3oytA:
undetectable
6bocD-3oytA:
undetectable		 6bocA-3oytA:
8.06
6bocB-3oytA:
8.06
6bocC-3oytA:
8.06
6bocD-3oytA:
8.06
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 106
SER A 159
ALA A  73
SER A  74
 None
 0.93A 6bocA-3oytA:
undetectable
6bocB-3oytA:
undetectable
6bocC-3oytA:
undetectable
6bocD-3oytA:
undetectable		 6bocA-3oytA:
8.06
6bocB-3oytA:
8.06
6bocC-3oytA:
8.06
6bocD-3oytA:
8.06
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 159
ALA A  73
SER A  74
SER A 106
 None
 0.94A 6bocA-3oytA:
undetectable
6bocB-3oytA:
undetectable
6bocC-3oytA:
undetectable
6bocD-3oytA:
undetectable		 6bocA-3oytA:
8.06
6bocB-3oytA:
8.06
6bocC-3oytA:
8.06
6bocD-3oytA:
8.06
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.
3pmq DECAHEME CYTOCHROME
C MTRF

(Shewanella
oneidensis) 		no annotation 4 SER A 329
SER A 331
ALA A 341
SER A 402
 None
 0.80A 6bocA-3pmqA:
undetectable
6bocB-3pmqA:
undetectable
6bocC-3pmqA:
undetectable
6bocD-3pmqA:
undetectable		 6bocA-3pmqA:
3.17
6bocB-3pmqA:
3.17
6bocC-3pmqA:
3.17
6bocD-3pmqA:
3.17
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.
3pmq DECAHEME CYTOCHROME
C MTRF

(Shewanella
oneidensis) 		no annotation 4 SER A 331
ALA A 341
SER A 402
SER A 329
 None
 0.79A 6bocA-3pmqA:
undetectable
6bocB-3pmqA:
undetectable
6bocC-3pmqA:
undetectable
6bocD-3pmqA:
undetectable		 6bocA-3pmqA:
3.17
6bocB-3pmqA:
3.17
6bocC-3pmqA:
3.17
6bocD-3pmqA:
3.17
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.
3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		4 SER A  77
ALA A  51
ALA A  76
SER A  75
 BGC  A 317 (-3.6A)
None
None
None
 1.05A 6bocA-3qt2A:
undetectable
6bocB-3qt2A:
undetectable
6bocC-3qt2A:
undetectable
6bocD-3qt2A:
undetectable		 6bocA-3qt2A:
4.93
6bocB-3qt2A:
4.93
6bocC-3qt2A:
4.93
6bocD-3qt2A:
4.93
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.
3r4k TRANSCRIPTIONAL
REGULATOR, ICLR
FAMILY

(Ruegeria sp.
TM1040) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		4 SER A 197
ALA A 212
ALA A 136
SER A 137
 None
 0.81A 6bocA-3r4kA:
undetectable
6bocB-3r4kA:
undetectable
6bocC-3r4kA:
undetectable
6bocD-3r4kA:
undetectable		 6bocA-3r4kA:
6.15
6bocB-3r4kA:
6.15
6bocC-3r4kA:
6.15
6bocD-3r4kA:
6.15
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.
3rd6 MLL3558 PROTEIN

(Mesorhizobium
loti) 		PF08327
(AHSA1) 		4 SER A 101
SER A  99
ALA A 131
SER A 130
 None
 0.96A 6bocA-3rd6A:
undetectable
6bocB-3rd6A:
undetectable
6bocC-3rd6A:
undetectable
6bocD-3rd6A:
undetectable		 6bocA-3rd6A:
8.23
6bocB-3rd6A:
8.23
6bocC-3rd6A:
8.23
6bocD-3rd6A:
8.23
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.
3rd6 MLL3558 PROTEIN

(Mesorhizobium
loti) 		PF08327
(AHSA1) 		4 SER A 101
SER A  99
ALA A 131
SER A 130
 None
 0.98A 6bocA-3rd6A:
undetectable
6bocB-3rd6A:
undetectable
6bocC-3rd6A:
undetectable
6bocD-3rd6A:
undetectable		 6bocA-3rd6A:
8.23
6bocB-3rd6A:
8.23
6bocC-3rd6A:
8.23
6bocD-3rd6A:
8.23
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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A  14
ALA A 337
ALA A 230
SER A 334
 None
 0.98A 6bocA-3u0fA:
undetectable
6bocB-3u0fA:
undetectable
6bocC-3u0fA:
undetectable
6bocD-3u0fA:
undetectable		 6bocA-3u0fA:
4.94
6bocB-3u0fA:
4.94
6bocC-3u0fA:
4.94
6bocD-3u0fA:
4.94
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.
3usc HYDROGENASE-1 LARGE
CHAIN

(Escherichia
coli) 		PF00374
(NiFeSe_Hases) 		4 SER L  48
ALA L 352
SER L 396
ALA L 400
 None
 1.03A 6bocA-3uscL:
undetectable
6bocB-3uscL:
undetectable
6bocC-3uscL:
undetectable
6bocD-3uscL:
undetectable		 6bocA-3uscL:
3.68
6bocB-3uscL:
3.68
6bocC-3uscL:
3.68
6bocD-3uscL:
3.68
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.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		4 SER A 166
ALA A 153
SER A 154
ALA A 167
 None
 1.03A 6bocA-3zs7A:
undetectable
6bocB-3zs7A:
undetectable
6bocC-3zs7A:
undetectable
6bocD-3zs7A:
undetectable		 6bocA-3zs7A:
6.92
6bocB-3zs7A:
6.92
6bocC-3zs7A:
6.92
6bocD-3zs7A:
6.92
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.
4bem F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii) 		PF00137
(ATP-synt_C) 		4 ALA J 112
SER J 109
ALA J  29
SER J  28
 None
 0.93A 6bocA-4bemJ:
undetectable
6bocB-4bemJ:
undetectable
6bocC-4bemJ:
undetectable
6bocD-4bemJ:
undetectable		 6bocA-4bemJ:
9.77
6bocB-4bemJ:
9.77
6bocC-4bemJ:
9.77
6bocD-4bemJ:
9.77
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.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 SER A 124
ALA A 131
SER A 130
ALA A 123
 None
 0.98A 6bocA-4beqA:
undetectable
6bocB-4beqA:
undetectable
6bocC-4beqA:
undetectable
6bocD-4beqA:
undetectable		 6bocA-4beqA:
4.55
6bocB-4beqA:
4.55
6bocC-4beqA:
4.55
6bocD-4beqA:
4.55
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.
4cxf RNA POLYMERASE SIGMA
FACTOR CNRH
CNRY

(Cupriavidus
metallidurans;
Cupriavidus
metallidurans) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
PF17524
(CnrY) 		4 SER A  39
ALA A  34
ALA B  18
SER B  19
 None
 0.94A 6bocA-4cxfA:
undetectable
6bocB-4cxfA:
undetectable
6bocC-4cxfA:
undetectable
6bocD-4cxfA:
undetectable		 6bocA-4cxfA:
9.42
6bocB-4cxfA:
9.42
6bocC-4cxfA:
9.42
6bocD-4cxfA:
9.42
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 4 SER D 157
ALA D 274
SER D 273
ALA D 205
 None
 0.82A 6bocA-4em6D:
undetectable
6bocB-4em6D:
undetectable
6bocC-4em6D:
undetectable
6bocD-4em6D:
undetectable		 6bocA-4em6D:
4.09
6bocB-4em6D:
4.09
6bocC-4em6D:
4.09
6bocD-4em6D:
4.09
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.
4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		4 SER A 673
ALA A 680
SER A 679
ALA A 672
 None
 1.00A 6bocA-4f7zA:
undetectable
6bocB-4f7zA:
undetectable
6bocC-4f7zA:
undetectable
6bocD-4f7zA:
undetectable		 6bocA-4f7zA:
2.11
6bocB-4f7zA:
2.11
6bocC-4f7zA:
2.11
6bocD-4f7zA:
2.11
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.
4foz PORIN D

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 ALA A 199
SER A 200
ALA A 192
SER A 198
 None
 0.96A 6bocA-4fozA:
undetectable
6bocB-4fozA:
undetectable
6bocC-4fozA:
undetectable
6bocD-4fozA:
undetectable		 6bocA-4fozA:
3.99
6bocB-4fozA:
3.99
6bocC-4fozA:
3.99
6bocD-4fozA:
3.99
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.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		4 SER A 182
ALA A 187
SER A 186
ALA A 126
 None
 0.99A 6bocA-4hl6A:
undetectable
6bocB-4hl6A:
undetectable
6bocC-4hl6A:
undetectable
6bocD-4hl6A:
undetectable		 6bocA-4hl6A:
5.78
6bocB-4hl6A:
5.78
6bocC-4hl6A:
5.78
6bocD-4hl6A:
5.78
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.
4ivn TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF01380
(SIS)
PF01418
(HTH_6) 		4 SER A 239
ALA A 137
SER A 138
ALA A 236
 None
BMX  A1000 (-3.4A)
BMX  A1000 (-2.6A)
None
 0.83A 6bocA-4ivnA:
undetectable
6bocB-4ivnA:
undetectable
6bocC-4ivnA:
undetectable
6bocD-4ivnA:
undetectable		 6bocA-4ivnA:
5.98
6bocB-4ivnA:
5.98
6bocC-4ivnA:
5.98
6bocD-4ivnA:
5.98
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 4 ALA A 451
SER A 450
ALA A 379
SER A 395
 None
 0.86A 6bocA-4jzaA:
undetectable
6bocB-4jzaA:
undetectable
6bocC-4jzaA:
undetectable
6bocD-4jzaA:
undetectable		 6bocA-4jzaA:
3.07
6bocB-4jzaA:
3.07
6bocC-4jzaA:
3.07
6bocD-4jzaA:
3.07
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.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		4 ALA A 393
SER A 392
ALA A  52
SER A  53
 None
 0.83A 6bocA-4k9sA:
undetectable
6bocB-4k9sA:
undetectable
6bocC-4k9sA:
undetectable
6bocD-4k9sA:
undetectable		 6bocA-4k9sA:
5.88
6bocB-4k9sA:
5.88
6bocC-4k9sA:
5.88
6bocD-4k9sA:
5.88
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		4 ALA A 169
SER A 391
ALA A 172
SER A 170
 None
 1.03A 6bocA-4kv7A:
undetectable
6bocB-4kv7A:
undetectable
6bocC-4kv7A:
undetectable
6bocD-4kv7A:
undetectable		 6bocA-4kv7A:
19.75
6bocB-4kv7A:
19.75
6bocC-4kv7A:
19.75
6bocD-4kv7A:
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.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		4 ALA A 189
SER A 188
ALA A  70
SER A  71
 None
EDO  A 303 (-4.6A)
None
None
 0.79A 6bocA-4ldnA:
undetectable
6bocB-4ldnA:
undetectable
6bocC-4ldnA:
undetectable
6bocD-4ldnA:
undetectable		 6bocA-4ldnA:
8.17
6bocB-4ldnA:
8.17
6bocC-4ldnA:
8.17
6bocD-4ldnA:
8.17
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.
4lg8 PRE-MRNA-PROCESSING
FACTOR 19

(Homo sapiens) 		PF00400
(WD40) 		4 SER A 492
SER A 498
ALA A 211
SER A 212
 None
 1.03A 6bocA-4lg8A:
undetectable
6bocB-4lg8A:
undetectable
6bocC-4lg8A:
undetectable
6bocD-4lg8A:
undetectable		 6bocA-4lg8A:
6.86
6bocB-4lg8A:
6.86
6bocC-4lg8A:
6.86
6bocD-4lg8A:
6.86
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 SER A 165
ALA A 363
SER A 364
ALA A 302
 None
 0.84A 6bocA-4lglA:
undetectable
6bocB-4lglA:
undetectable
6bocC-4lglA:
undetectable
6bocD-4lglA:
undetectable		 6bocA-4lglA:
2.79
6bocB-4lglA:
2.79
6bocC-4lglA:
2.79
6bocD-4lglA:
2.79
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 291
ALA A 117
SER A 116
ALA A 169
 None
 0.95A 6bocA-4lixA:
undetectable
6bocB-4lixA:
undetectable
6bocC-4lixA:
undetectable
6bocD-4lixA:
undetectable		 6bocA-4lixA:
7.03
6bocB-4lixA:
7.03
6bocC-4lixA:
7.03
6bocD-4lixA:
7.03
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.
4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		4 SER A 275
ALA A 203
ALA A 206
SER A 204
 None
 1.04A 6bocA-4m69A:
undetectable
6bocB-4m69A:
undetectable
6bocC-4m69A:
undetectable
6bocD-4m69A:
undetectable		 6bocA-4m69A:
6.74
6bocB-4m69A:
6.74
6bocC-4m69A:
6.74
6bocD-4m69A:
6.74
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.
4qfh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF00342
(PGI) 		4 SER A 209
ALA A 333
SER A 332
ALA A 258
 G6P  A 700 (-2.7A)
None
None
None
 0.79A 6bocA-4qfhA:
undetectable
6bocB-4qfhA:
undetectable
6bocC-4qfhA:
undetectable
6bocD-4qfhA:
undetectable		 6bocA-4qfhA:
3.55
6bocB-4qfhA:
3.55
6bocC-4qfhA:
3.55
6bocD-4qfhA:
3.55
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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 ALA A 222
SER A 221
ALA A 268
SER A 269
 None
 0.99A 6bocA-4qfuA:
undetectable
6bocB-4qfuA:
undetectable
6bocC-4qfuA:
undetectable
6bocD-4qfuA:
undetectable		 6bocA-4qfuA:
5.53
6bocB-4qfuA:
5.53
6bocC-4qfuA:
5.53
6bocD-4qfuA:
5.53
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.
4rgz XAA-PRO
AMINOPEPTIDASE

(Thermococcus
sibiricus) 		no annotation 4 SER A 239
SER A 197
ALA A 193
ALA A 155
 None
 0.97A 6bocA-4rgzA:
undetectable
6bocB-4rgzA:
undetectable
6bocC-4rgzA:
undetectable
6bocD-4rgzA:
undetectable		 6bocA-4rgzA:
5.59
6bocB-4rgzA:
5.59
6bocC-4rgzA:
5.59
6bocD-4rgzA:
5.59
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.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		4 SER A 226
SER A 142
ALA A 147
SER A 146
 None
 0.90A 6bocA-4rncA:
undetectable
6bocB-4rncA:
undetectable
6bocC-4rncA:
undetectable
6bocD-4rncA:
undetectable		 6bocA-4rncA:
7.36
6bocB-4rncA:
7.36
6bocC-4rncA:
7.36
6bocD-4rncA:
7.36
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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE

(Colias
eurytheme) 		PF00342
(PGI) 		4 SER A 164
ALA A 282
SER A 281
ALA A 212
 None
 0.83A 6bocA-4wmjA:
undetectable
6bocB-4wmjA:
undetectable
6bocC-4wmjA:
undetectable
6bocD-4wmjA:
undetectable		 6bocA-4wmjA:
4.28
6bocB-4wmjA:
4.28
6bocC-4wmjA:
4.28
6bocD-4wmjA:
4.28
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.
4y67 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE,
APICOPLAST

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 SER A 367
SER A 235
ALA A 203
ALA A 201
 None
 1.05A 6bocA-4y67A:
undetectable
6bocB-4y67A:
undetectable
6bocC-4y67A:
undetectable
6bocD-4y67A:
undetectable		 6bocA-4y67A:
5.75
6bocB-4y67A:
5.75
6bocC-4y67A:
5.75
6bocD-4y67A:
5.75
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.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 SER A 762
ALA A 641
ALA A 635
SER A 636
 None
 1.01A 6bocA-5bp1A:
undetectable
6bocB-5bp1A:
undetectable
6bocC-5bp1A:
undetectable
6bocD-5bp1A:
undetectable		 6bocA-5bp1A:
2.41
6bocB-5bp1A:
2.41
6bocC-5bp1A:
2.41
6bocD-5bp1A:
2.41
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.
5co1 PROTOCADHERIN-19
ISOFORM 1

(Danio rerio) 		PF00028
(Cadherin) 		4 SER A 351
ALA A 320
ALA A 402
SER A 412
 None
 1.00A 6bocA-5co1A:
undetectable
6bocB-5co1A:
undetectable
6bocC-5co1A:
undetectable
6bocD-5co1A:
undetectable		 6bocA-5co1A:
7.51
6bocB-5co1A:
7.51
6bocC-5co1A:
7.51
6bocD-5co1A:
7.51
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.
5ewq AMIDASE

(Bacillus
anthracis) 		PF01425
(Amidase) 		4 SER A 227
ALA A 189
ALA A 232
SER A 231
 None
 0.89A 6bocA-5ewqA:
undetectable
6bocB-5ewqA:
undetectable
6bocC-5ewqA:
undetectable
6bocD-5ewqA:
undetectable		 6bocA-5ewqA:
4.90
6bocB-5ewqA:
4.90
6bocC-5ewqA:
4.90
6bocD-5ewqA:
4.90
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.
5gyl LEGUMIN-LIKE PROTEIN

(Cicer arietinum) 		PF00190
(Cupin_1) 		4 SER A 425
SER A 364
ALA A 385
ALA A 390
 None
 0.91A 6bocA-5gylA:
undetectable
6bocB-5gylA:
undetectable
6bocC-5gylA:
undetectable
6bocD-5gylA:
undetectable		 6bocA-5gylA:
3.97
6bocB-5gylA:
3.97
6bocC-5gylA:
3.97
6bocD-5gylA:
3.97
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 SER A3002
ALA A3080
ALA A2625
SER A2624
 None
 0.96A 6bocA-5nugA:
undetectable
6bocB-5nugA:
undetectable
6bocC-5nugA:
undetectable
6bocD-5nugA:
undetectable		 6bocA-5nugA:
0.62
6bocB-5nugA:
0.62
6bocC-5nugA:
0.62
6bocD-5nugA:
0.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus) 		no annotation 4 SER A 184
ALA A 174
SER A 180
SER A 227
 None
 1.04A 6bocA-5nuxA:
undetectable
6bocB-5nuxA:
undetectable
6bocC-5nuxA:
undetectable
6bocD-5nuxA:
undetectable		 6bocA-5nuxA:
undetectable
6bocB-5nuxA:
undetectable
6bocC-5nuxA:
undetectable
6bocD-5nuxA:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 SER C1657
ALA C1680
SER C1677
ALA C1650
 None
 1.03A 6bocA-5y3rC:
undetectable
6bocB-5y3rC:
undetectable
6bocC-5y3rC:
undetectable
6bocD-5y3rC:
undetectable		 6bocA-5y3rC:
0.99
6bocB-5y3rC:
0.99
6bocC-5y3rC:
0.99
6bocD-5y3rC:
0.99
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 4 SER A 237
ALA A 422
ALA A 472
SER A 363
 ORN  A 602 ( 4.4A)
None
FAD  A 601 (-3.4A)
FAD  A 601 (-3.6A)
 1.02A 6bocA-5yb7A:
undetectable
6bocB-5yb7A:
undetectable
6bocC-5yb7A:
undetectable
6bocD-5yb7A:
undetectable		 6bocA-5yb7A:
undetectable
6bocB-5yb7A:
undetectable
6bocC-5yb7A:
undetectable
6bocD-5yb7A:
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.
6bs9 STAGE III
SPORULATION PROTEIN
AB

(Bacillus
subtilis) 		no annotation 4 ALA A  61
SER A  69
ALA A  74
SER A  73
 None
 0.98A 6bocA-6bs9A:
undetectable
6bocB-6bs9A:
undetectable
6bocC-6bs9A:
undetectable
6bocD-6bs9A:
undetectable		 6bocA-6bs9A:
undetectable
6bocB-6bs9A:
undetectable
6bocC-6bs9A:
undetectable
6bocD-6bs9A:
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 4 SER A 158
ALA A 275
SER A 274
ALA A 206
 G6P  A 601 (-2.6A)
None
None
None
 0.78A 6bocA-6bzcA:
undetectable
6bocB-6bzcA:
undetectable
6bocC-6bzcA:
undetectable
6bocD-6bzcA:
undetectable		 6bocA-6bzcA:
undetectable
6bocB-6bzcA:
undetectable
6bocC-6bzcA:
undetectable
6bocD-6bzcA:
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.
6eqn TRYPTOPHAN SYNTHASE
BETA CHAIN 2

(Sulfobacillus) 		no annotation 4 SER B 109
ALA B 115
SER B 114
SER B 142
 PLP  B 501 ( 4.5A)
None
None
None
 0.89A 6bocA-6eqnB:
undetectable
6bocB-6eqnB:
undetectable
6bocC-6eqnB:
undetectable
6bocD-6eqnB:
undetectable		 6bocA-6eqnB:
undetectable
6bocB-6eqnB:
undetectable
6bocC-6eqnB:
undetectable
6bocD-6eqnB:
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.
6eqn TRYPTOPHAN SYNTHASE
BETA CHAIN 2

(Sulfobacillus) 		no annotation 4 SER B 142
SER B 109
ALA B 115
SER B 114
 None
PLP  B 501 ( 4.5A)
None
None
 0.89A 6bocA-6eqnB:
undetectable
6bocB-6eqnB:
undetectable
6bocC-6eqnB:
undetectable
6bocD-6eqnB:
undetectable		 6bocA-6eqnB:
undetectable
6bocB-6eqnB:
undetectable
6bocC-6eqnB:
undetectable
6bocD-6eqnB:
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 5 SER A 440
ALA A 444
SER A 443
ALA A 520
SER A 521
 None
 0.90A 6bocA-6etiA:
undetectable
6bocB-6etiA:
undetectable
6bocC-6etiA:
undetectable
6bocD-6etiA:
undetectable		 6bocA-6etiA:
undetectable
6bocB-6etiA:
undetectable
6bocC-6etiA:
undetectable
6bocD-6etiA:
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 4 SER A 440
SER A 443
ALA A 520
SER A 521
 None
 0.93A 6bocA-6etiA:
undetectable
6bocB-6etiA:
undetectable
6bocC-6etiA:
undetectable
6bocD-6etiA:
undetectable		 6bocA-6etiA:
undetectable
6bocB-6etiA:
undetectable
6bocC-6etiA:
undetectable
6bocD-6etiA:
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 4 SER A 521
SER A 440
ALA A 444
SER A 443
 None
 0.91A 6bocA-6etiA:
undetectable
6bocB-6etiA:
undetectable
6bocC-6etiA:
undetectable
6bocD-6etiA:
undetectable		 6bocA-6etiA:
undetectable
6bocB-6etiA:
undetectable
6bocC-6etiA:
undetectable
6bocD-6etiA:
undetectable