SIMILAR PATTERNS OF AMINO ACIDS FOR 2BR4_B_SAMB301

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.
1dz3 STAGE 0 SPORULATION
PROTEIN A

(Geobacillus
stearothermophilus) 		PF00072
(Response_reg) 		5 LEU A 105
CYH A  40
ASP A  55
ALA A   8
ALA A  34
 None
 1.10A 2br4B-1dz3A:
undetectable		 2br4B-1dz3A:
22.88
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.
1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLU B 215
GLY B 265
ASN B  36
ARG B  29
CYH A 138
 None
None
None
None
FES  A1907 ( 2.3A)
 1.14A 2br4B-1ffvB:
undetectable		 2br4B-1ffvB:
14.64
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.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		5 GLU A 211
GLY A  41
ASP A  40
ALA A  39
ALA A  37
 None
 1.27A 2br4B-1ixpA:
undetectable		 2br4B-1ixpA:
25.46
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.
1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Haemophilus
influenzae) 		PF02542
(YgbB) 		5 GLY A   7
CYH A 149
ASP A  47
ALA A  44
ALA A  41
 None
 1.22A 2br4B-1jn1A:
undetectable		 2br4B-1jn1A:
21.22
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.
1llc L-LACTATE
DEHYDROGENASE

(Lactobacillus
casei) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASN A 296
ARG A 159
ASP A  92
ALA A  91
ALA A  88
 None
 1.13A 2br4B-1llcA:
2.7		 2br4B-1llcA:
24.11
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 312
GLY A 308
ASP A 305
ALA A 307
ALA A 302
 FAD  A 459 (-3.6A)
None
FAD  A 459 (-3.3A)
None
None
 1.22A 2br4B-1lvlA:
2.6		 2br4B-1lvlA:
19.20
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.
1oyz HYPOTHETICAL PROTEIN
YIBA

(Escherichia
coli) 		PF13646
(HEAT_2) 		5 GLY A  52
ARG A  50
ASP A  54
ALA A  55
ALA A  59
 None
 1.19A 2br4B-1oyzA:
undetectable		 2br4B-1oyzA:
21.92
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.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 LEU A  30
GLU A  32
GLY A  80
ALA A  72
ALA A  73
 None
 1.26A 2br4B-1pc3A:
undetectable		 2br4B-1pc3A:
19.43
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.
1tye INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 GLY B 222
ASN B 215
ASP B 224
ALA B 225
ALA B 229
 None
CA  B1403 ( 2.7A)
None
None
None
 0.81A 2br4B-1tyeB:
undetectable		 2br4B-1tyeB:
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A  34
GLY A  11
ASN A 272
ALA A  16
ALA A  19
 FAD  A 666 (-2.5A)
FAD  A 666 (-3.2A)
SO4  A2002 (-3.8A)
None
None
 1.09A 2br4B-1zk7A:
3.3		 2br4B-1zk7A:
17.71
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.
2a11 RIBONUCLEASE III

(Mycobacterium
tuberculosis) 		PF14622
(Ribonucleas_3_3) 		5 GLU A 123
GLY A  47
ASN A  40
ASP A  48
ALA A  49
 CA  A1001 (-3.5A)
None
None
CA  A1001 ( 4.7A)
None
 1.22A 2br4B-2a11A:
undetectable		 2br4B-2a11A:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		12 LEU A  64
LYS A  65
GLU A  87
GLY A  89
TYR A  91
ASN A  92
ARG A 117
ARG A 121
CYH A 139
ASP A 160
ALA A 161
ALA A 163
 SAM  A 301 (-4.2A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.9A)
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
 0.66A 2br4B-2br4A:
35.3		 2br4B-2br4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 GLU A  78
GLY A  77
ASN A  71
ALA A  80
ALA A 130
 None
 1.26A 2br4B-2cdqA:
undetectable		 2br4B-2cdqA:
19.14
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.
2e6m WERNER SYNDROME
ATP-DEPENDENT
HELICASE HOMOLOG

(Mus musculus) 		PF01612
(DNA_pol_A_exo1) 		5 LEU A 155
GLY A  74
CYH A 103
ALA A 211
ALA A 208
 None
 1.09A 2br4B-2e6mA:
undetectable		 2br4B-2e6mA:
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.
2e80 CYTOCHROME C-552

(Wolinella
succinogenes) 		PF02335
(Cytochrom_C552) 		5 LYS A 484
GLU A 161
GLY A 159
ASN A 164
ASP A 160
 None
 1.17A 2br4B-2e80A:
undetectable		 2br4B-2e80A:
19.87
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.
2f2l PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-LC
ISOFORM LCA
PEPTIDOGLYCAN
RECOGNITION
PROTEIN-LC ISOFORM
LCX

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF01510
(Amidase_2)
PF01510
(Amidase_2) 		5 GLY X 436
ASN X 444
ARG X 441
ALA X 368
ALA A 363
 None
 1.21A 2br4B-2f2lX:
undetectable		 2br4B-2f2lX:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fbv WERNER SYNDROME
HELICASE

(Homo sapiens) 		PF01612
(DNA_pol_A_exo1) 		5 LEU A 161
GLY A  80
CYH A 109
ALA A 217
ALA A 214
 None
 1.11A 2br4B-2fbvA:
undetectable		 2br4B-2fbvA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzl 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF02542
(YgbB) 		5 GLY A   6
CYH A 148
ASP A  46
ALA A  43
ALA A  40
 None
 1.20A 2br4B-2gzlA:
undetectable		 2br4B-2gzlA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kgq BRAZZEIN

(Pentadiplandra
brazzeana) 		no annotation 5 GLU A  36
GLY A  35
TYR A  24
ASN A  20
ALA A  32
 None
 1.10A 2br4B-2kgqA:
undetectable		 2br4B-2kgqA:
11.44
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.
2ogi HYPOTHETICAL PROTEIN
SAG1661

(Streptococcus
agalactiae) 		PF01966
(HD) 		5 LEU A  14
GLU A  34
GLY A  52
ALA A  54
ALA A 113
 None
 1.02A 2br4B-2ogiA:
undetectable		 2br4B-2ogiA:
20.78
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.
2p91 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Aquifex
aeolicus) 		PF13561
(adh_short_C2) 		5 GLU A  20
GLY A  47
ARG A  45
ALA A  48
ALA A  24
 None
 1.26A 2br4B-2p91A:
5.2		 2br4B-2p91A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 LEU A 107
GLY A 104
ASP A  60
ALA A 111
ALA A  99
 None
FAD  A1535 (-3.3A)
None
FAD  A1535 ( 3.7A)
FAD  A1535 ( 4.3A)
 1.08A 2br4B-2qpmA:
undetectable		 2br4B-2qpmA:
18.52
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.
2rfl PUTATIVE
PHOSPHOHISTIDINE
PHOSPHATASE SIXA

(Agrobacterium
fabrum) 		PF00300
(His_Phos_1) 		5 GLU A 127
GLY A 126
ARG A 158
ASP A 128
ALA A 133
 None
 1.19A 2br4B-2rflA:
3.1		 2br4B-2rflA:
23.53
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.
2wzg GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 GLU A 445
GLY A 449
ASN A 224
ALA A 452
ALA A 456
 None
UPG  A1525 ( 3.7A)
None
None
None
 1.20A 2br4B-2wzgA:
undetectable		 2br4B-2wzgA:
17.62
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.
3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE

(Yersinia
pseudotuberculosis) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 289
LYS A 290
GLY A 248
TYR A 287
ASP A 246
 None
 1.06A 2br4B-3bb8A:
2.3		 2br4B-3bb8A:
20.31
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.
3dr5 PUTATIVE
O-METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13578
(Methyltransf_24) 		5 GLY A  59
ASN A  81
ARG A 110
ALA A  60
ALA A  62
 None
 1.24A 2br4B-3dr5A:
11.1		 2br4B-3dr5A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ejn SUSD HOMOLOG

(Bacteroides
fragilis) 		PF12771
(SusD-like_2) 		5 GLU A  93
GLY A  92
ASN A  87
ALA A  95
ALA A 100
 None
None
FMT  A   5 ( 3.9A)
None
None
 0.99A 2br4B-3ejnA:
undetectable		 2br4B-3ejnA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ele AMINO TRANSFERASE

([Eubacterium]
rectale) 		PF00155
(Aminotran_1_2) 		5 GLU A 155
CYH A 366
ASP A 153
ALA A 152
ALA A 130
 None
 1.17A 2br4B-3eleA:
2.7		 2br4B-3eleA:
19.38
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		5 GLY A   6
CYH A 150
ASP A  48
ALA A  45
ALA A  42
 None
 1.18A 2br4B-3f6mA:
undetectable		 2br4B-3f6mA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ftb HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Clostridium
acetobutylicum) 		PF00155
(Aminotran_1_2) 		5 LEU A  83
GLU A  89
GLY A  86
ALA A  87
ALA A 185
 None
None
PO4  A 362 (-3.4A)
PO4  A 362 (-3.2A)
None
 1.23A 2br4B-3ftbA:
3.4		 2br4B-3ftbA:
21.66
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.
3gtz PUTATIVE TRANSLATION
INITIATION INHIBITOR

(Salmonella
enterica) 		PF01042
(Ribonuc_L-PSP) 		5 LEU A  31
TYR A 104
ASN A 101
ALA A  35
ALA A  75
 None
 1.07A 2br4B-3gtzA:
undetectable		 2br4B-3gtzA:
18.22
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.
3h7t GROUP 3 ALLERGEN
SMIPP-S YVT004A06

(Sarcoptes
scabiei) 		PF00089
(Trypsin) 		5 LYS A   1
GLY A 184
ASP A 185
ALA A 186
ALA A  39
 None
 0.88A 2br4B-3h7tA:
undetectable		 2br4B-3h7tA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  49
ASN A  45
ASP A 116
ALA A 113
ALA A 109
 GLY  A  49 ( 0.0A)
ASN  A  45 ( 0.6A)
ASP  A 116 ( 0.6A)
ALA  A 113 ( 0.0A)
ALA  A 109 ( 0.0A)
 1.28A 2br4B-3i4kA:
undetectable		 2br4B-3i4kA:
19.83
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.
3kvd LIPOPROTEIN

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 GLU D 211
GLY D 212
ARG D 214
ALA D 238
ALA D 239
 None
 0.96A 2br4B-3kvdD:
undetectable		 2br4B-3kvdD:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 GLU A  51
GLY A  50
ASP A  49
ALA A  47
ALA A  85
 None
 1.26A 2br4B-3la4A:
undetectable		 2br4B-3la4A:
14.75
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.
3mfn UNCHARACTERIZED
PROTEIN

(Dyadobacter
fermentans) 		no annotation 5 LYS A  71
ASN A  79
ASP A  60
ALA A  58
ALA A  16
 None
 1.25A 2br4B-3mfnA:
undetectable		 2br4B-3mfnA:
21.72
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.
3myv SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 LEU A 417
GLY A  67
ARG A 224
ASP A  68
ALA A  62
 None
None
EDO  A 516 (-3.0A)
None
None
 1.25A 2br4B-3myvA:
undetectable		 2br4B-3myvA:
18.82
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.
3pxg NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N) 		5 LEU A 131
GLU A 117
GLY A 118
ASN A 125
ALA A  84
 None
 1.06A 2br4B-3pxgA:
undetectable		 2br4B-3pxgA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU A 131
GLU A 117
GLY A 118
ASN A 125
ALA A  84
 None
 1.06A 2br4B-3pxiA:
undetectable		 2br4B-3pxiA:
15.06
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.
3q5m UPF0169 LIPOPROTEIN
YFIO

(Escherichia
coli) 		PF13525
(YfiO) 		5 LEU A 128
GLY A  91
ASP A 124
ALA A 121
ALA A 118
 None
 1.17A 2br4B-3q5mA:
undetectable		 2br4B-3q5mA:
24.80
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.
3q98 TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LYS A 203
GLU A 344
GLY A 343
ASN A 304
ASP A 334
 None
 1.06A 2br4B-3q98A:
undetectable		 2br4B-3q98A:
20.41
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.
3re3 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Francisella
tularensis) 		PF02542
(YgbB) 		5 GLY A   8
CYH A 155
ASP A  49
ALA A  50
ALA A  54
 None
 1.26A 2br4B-3re3A:
undetectable		 2br4B-3re3A:
21.98
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.
3rht (GATASE1)-LIKE
PROTEIN

(Planctopirus
limnophila) 		PF07090
(GATase1_like) 		5 GLU A  86
GLY A  93
TYR A  88
ASN A 152
ALA A  58
 None
 1.25A 2br4B-3rhtA:
undetectable		 2br4B-3rhtA:
24.47
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.
3thw DNA MISMATCH REPAIR
PROTEIN MSH3

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05192
(MutS_III) 		5 LYS B 231
GLY B 251
ASP B 253
ALA B 254
ALA B 258
 None
 1.24A 2br4B-3thwB:
undetectable		 2br4B-3thwB:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thw DNA MISMATCH REPAIR
PROTEIN MSH3

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05192
(MutS_III) 		5 LYS B 231
GLY B 251
CYH B 265
ASP B 253
ALA B 254
 None
 1.27A 2br4B-3thwB:
undetectable		 2br4B-3thwB:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4v INTEGRIN BETA-7

(Homo sapiens) 		PF00362
(Integrin_beta) 		5 GLY B 242
ASN B 235
ASP B 244
ALA B 245
ALA B 249
 None
CA  B2003 ( 3.1A)
None
None
None
 1.18A 2br4B-3v4vB:
undetectable		 2br4B-3v4vB:
18.18
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.
3vr0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 LEU A 153
GLY A 139
TYR A 141
ALA A 190
ALA A 189
 None
AU  A 304 ( 3.7A)
None
None
AU  A 303 (-4.1A)
 1.27A 2br4B-3vr0A:
undetectable		 2br4B-3vr0A:
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.
3x0u UNCHARACTERIZED
PROTEIN

(Vibrio
parahaemolyticus) 		PF03945
(Endotoxin_N) 		5 TYR A 220
CYH A 239
ASP A 218
ALA A 215
ALA A 212
 None
 1.09A 2br4B-3x0uA:
undetectable		 2br4B-3x0uA:
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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 GLY A 672
TYR A 706
ASP A 744
ALA A 745
ALA A 749
 None
 0.96A 2br4B-4azcA:
undetectable		 2br4B-4azcA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 LEU A 202
GLU A  92
GLY A  88
ALA A  87
ALA A 276
 None
 1.16A 2br4B-4bb9A:
2.9		 2br4B-4bb9A:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		5 LEU A 469
GLY A 434
ASP A 427
ALA A 435
ALA A 425
 None
CA  A 604 (-4.4A)
CA  A 604 (-3.2A)
None
None
 1.22A 2br4B-4cagA:
undetectable		 2br4B-4cagA:
17.47
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 LEU A 567
GLY A 643
ASN B 444
ARG A 597
ALA A 644
 None
NAG  B3452 (-2.8A)
None
None
None
 1.03A 2br4B-4cakA:
undetectable		 2br4B-4cakA:
12.83
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.
4d0k A-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2
PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3-LIKE PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation 		5 LEU B 485
GLY B 480
ASP B 481
ALA A  97
ALA A  91
 None
 1.28A 2br4B-4d0kB:
undetectable		 2br4B-4d0kB:
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.
4e6p PROBABLE SORBITOL
DEHYDROGENASE
(L-IDITOL
2-DEHYDROGENASE)

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLU A   5
GLY A  30
ARG A  28
ALA A  31
ALA A   9
 None
 1.23A 2br4B-4e6pA:
5.0		 2br4B-4e6pA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LYS H 445
GLY H 631
ASP H 632
ALA H 633
ALA H 481
 None
 0.91A 2br4B-4fxgH:
undetectable		 2br4B-4fxgH:
23.37
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.
4h3v OXIDOREDUCTASE
DOMAIN PROTEIN

(Kribbella
flavida) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 190
ASN A 107
ASP A 191
ALA A 188
ALA A 247
 None
 1.12A 2br4B-4h3vA:
2.5		 2br4B-4h3vA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imp POLYKETIDE SYNTHASE
EXTENDER MODULES 3-4

(Saccharopolyspora
spinosa) 		PF08659
(KR) 		5 GLY A 288
ARG A 314
ARG A 315
ALA A 365
ALA A 387
 NDP  A1501 (-3.6A)
NDP  A1501 (-3.6A)
NDP  A1501 (-3.7A)
NDP  A1501 (-3.6A)
NDP  A1501 (-3.4A)
 1.17A 2br4B-4impA:
6.9		 2br4B-4impA:
17.77
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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 GLY A 284
ARG A 310
ARG A 311
ALA A 366
ALA A 388
 NDP  A 601 (-3.3A)
NDP  A 601 (-3.1A)
NDP  A 601 (-3.9A)
NDP  A 601 (-4.1A)
NDP  A 601 ( 3.9A)
 0.94A 2br4B-4l4xA:
5.2		 2br4B-4l4xA:
19.20
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.
4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 TYR A 210
CYH A 172
ASP A  44
ALA A  45
ALA A 143
 None
None
UNX  A 311 ( 3.8A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.4A)
 1.11A 2br4B-4lg1A:
8.5		 2br4B-4lg1A:
20.47
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.
4muz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Archaeoglobus
fulgidus) 		PF00215
(OMPdecase) 		5 GLU A 182
GLY A 203
ASP A 202
ALA A 201
ALA A 197
 None
 1.11A 2br4B-4muzA:
undetectable		 2br4B-4muzA:
18.85
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.
4odi PHOSPHOGLYCERATE
MUTASE PGMII

(Toxoplasma
gondii) 		PF00300
(His_Phos_1) 		5 LEU A 251
GLY A 226
TYR A 244
ALA A  56
ALA A  57
 None
 1.24A 2br4B-4odiA:
undetectable		 2br4B-4odiA:
23.45
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.
4p52 HOMOSERINE KINASE

(Cytophaga
hutchinsonii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLU A  33
GLY A  31
CYH A 146
ALA A 101
ALA A 100
 None
 1.20A 2br4B-4p52A:
undetectable		 2br4B-4p52A:
20.42
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.
4qor CATALASE

(Bacillus
pumilus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 TYR A 248
ASN A 303
ARG A  59
ASP A 246
ALA A 243
 None
 1.15A 2br4B-4qorA:
undetectable		 2br4B-4qorA:
18.53
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		5 LEU A 345
GLY A 293
ASN A 312
ALA A 322
ALA A 325
 None
 1.16A 2br4B-4r27A:
undetectable		 2br4B-4r27A:
19.20
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.
4rmp ALLOPHYCOCYANIN

(Phormidium
rubidum) 		PF00502
(Phycobilisome) 		5 GLU A 144
GLY A 143
ASP A 145
ALA A 146
ALA A 150
 None
 1.27A 2br4B-4rmpA:
undetectable		 2br4B-4rmpA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 5 LYS A 266
GLU A 157
GLY A 123
TYR A 270
ALA A 160
 None
 1.09A 2br4B-4tz5A:
undetectable		 2br4B-4tz5A:
16.15
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.
4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF00155
(Aminotran_1_2) 		5 LEU A 156
GLU A 154
GLY A 151
TYR A 137
ALA A 150
 None
 1.16A 2br4B-4w5kA:
2.9		 2br4B-4w5kA:
20.20
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.
4wjg HAPTOGLOBIN

(Homo sapiens) 		no annotation 5 LYS C 158
GLY C 349
TYR C 348
ASP C 350
ALA C 351
 None
 1.02A 2br4B-4wjgC:
undetectable		 2br4B-4wjgC:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wui N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Jonesia
denitrificans) 		PF00697
(PRAI) 		5 LEU A 123
GLY A 153
ASP A 125
ALA A 126
ALA A 139
 None
CIT  A 301 (-3.4A)
None
None
None
 1.23A 2br4B-4wuiA:
undetectable		 2br4B-4wuiA:
19.68
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.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		5 LEU B 255
GLU B 307
CYH B 352
ALA B 310
ALA B 375
 None
 1.17A 2br4B-4ydoB:
undetectable		 2br4B-4ydoB:
16.86
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.
4ymd COLLECTIN-11

(Homo sapiens) 		PF00059
(Lectin_C) 		5 GLU A 211
GLY A 212
ASN A 234
ASP A 207
ALA A 213
 CA  A 303 (-2.2A)
None
MAN  A 302 ( 2.5A)
CA  A 303 ( 2.5A)
None
 1.28A 2br4B-4ymdA:
undetectable		 2br4B-4ymdA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
IRON-SULFUR
CLUSTER-BINDING
OXIDOREDUCTASE,
PUTATIVE BENZOYL-COA
REDUCTASE ELECTRON
TRANSFER PROTEIN

(Geobacter
metallireducens;
Geobacter
metallireducens) 		PF01314
(AFOR_C)
PF02730
(AFOR_N)
no annotation 		5 GLY A  97
TYR A 300
ASN A 301
ARG E  24
ALA A 162
 None
 1.11A 2br4B-4z3yA:
undetectable		 2br4B-4z3yA:
14.84
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 5 GLY A  73
TYR A  99
CYH A 126
ALA A  72
ALA A 129
 None
None
ZN  A 500 (-2.3A)
None
None
 1.12A 2br4B-5b5zA:
3.9		 2br4B-5b5zA:
18.73
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.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 LYS E  16
GLY E 193
ASP E 194
ALA E 195
ALA E  55
 None
 1.00A 2br4B-5brrE:
undetectable		 2br4B-5brrE:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvc SERINE RACEMASE

(Zea mays) 		PF00291
(PALP) 		5 GLU A 290
GLY A 293
CYH A 281
ALA A 294
ALA A 277
 PLP  A 402 (-3.5A)
PLP  A 402 ( 4.7A)
None
None
None
 1.12A 2br4B-5cvcA:
3.3		 2br4B-5cvcA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5esv 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE,ENVELOPE
GLYCOPROTEIN GP160

(Haemophilus
influenzae;
Human
immunodeficiency
virus 1) 		PF00516
(GP120)
PF02542
(YgbB) 		5 GLY E 118
CYH E 313
ASP E 211
ALA E 208
ALA E 205
 None
 1.12A 2br4B-5esvE:
undetectable		 2br4B-5esvE:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5esz 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE,ENVELOPE
GLYCOPROTEIN GP160

(Haemophilus
influenzae;
Human
immunodeficiency
virus 1) 		PF00516
(GP120)
PF02542
(YgbB) 		5 GLY C 118
CYH C 307
ASP C 211
ALA C 208
ALA C 205
 None
 1.09A 2br4B-5eszC:
undetectable		 2br4B-5eszC:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7r LMO0178 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 GLU E 304
GLY E 302
ARG E 300
ASP E 303
ALA E 299
 None
 1.21A 2br4B-5f7rE:
undetectable		 2br4B-5f7rE:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7r LMO0178 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 GLU E 304
GLY E 302
ASP E 303
ALA E 299
ALA E 296
 None
 1.21A 2br4B-5f7rE:
undetectable		 2br4B-5f7rE:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 LEU H 167
GLY H 162
ASP H 166
ALA H 133
ALA H 136
 None
 1.19A 2br4B-5fg9H:
undetectable		 2br4B-5fg9H:
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		5 LEU A  92
GLY A  97
ASP A  96
ALA A  95
ALA A  74
 None
 1.24A 2br4B-5fifA:
undetectable		 2br4B-5fifA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 LEU A 172
CYH A 187
ASP A 159
ALA A 160
ALA A 164
 None
 1.13A 2br4B-5h6sA:
undetectable		 2br4B-5h6sA:
18.30
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 TYR A1982
ASN A1981
ASP A1761
ALA A1758
ALA A1754
 None
 1.13A 2br4B-5i6gA:
undetectable		 2br4B-5i6gA:
11.79
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 TYR A1982
ASN A1981
ASP A1761
ALA A1758
ALA A1754
 None
 1.09A 2br4B-5i6hA:
undetectable		 2br4B-5i6hA:
10.27
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 TYR A1982
ASN A1981
ASP A1761
ALA A1758
ALA A1754
 None
 1.01A 2br4B-5i6iA:
undetectable		 2br4B-5i6iA:
8.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iuy MULTIDRUG EFFLUX
OUTER MEMBRANE
PROTEIN OPRN

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		5 LEU A 439
GLU A 260
GLY A 259
ALA A  14
ALA A  13
 None
 1.12A 2br4B-5iuyA:
undetectable		 2br4B-5iuyA:
20.31
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLU L 141
GLY L 137
ARG L 134
ALA L 133
ALA L 130
 None
 1.17A 2br4B-5jfcL:
2.9		 2br4B-5jfcL:
20.55
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.
5jjt SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Arabidopsis
thaliana) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5)
PF13431
(TPR_17) 		5 LEU A 272
GLU A 291
GLY A 256
ALA A 286
ALA A 327
 None
 1.25A 2br4B-5jjtA:
undetectable		 2br4B-5jjtA:
19.23
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE KDPC
SUBUNIT

(Escherichia
coli;
Escherichia
coli) 		PF03814
(KdpA)
PF02669
(KdpC) 		5 LEU C  87
GLU A 455
GLY A 473
ASP A 352
ALA A 472
 None
 1.17A 2br4B-5mrwC:
undetectable		 2br4B-5mrwC:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nem INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 GLY B 222
ASN B 215
ASP B 224
ALA B 225
ALA B 229
 None
 1.17A 2br4B-5nemB:
undetectable		 2br4B-5nemB:
18.82
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.
5tjr METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
AAC) 		PF00171
(Aldedh) 		5 GLU A 175
GLY A 203
ASP A 204
ALA A 207
ALA A 210
 ADP  A 501 (-3.4A)
None
None
None
None
 1.06A 2br4B-5tjrA:
undetectable		 2br4B-5tjrA:
19.47
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM2

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 LEU 2 268
GLU 2 292
ASN 2 454
ASP 2 272
ALA 2 278
 None
 1.23A 2br4B-5udb2:
undetectable		 2br4B-5udb2:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udb DNA REPLICATION
LICENSING FACTOR
MCM2

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 LEU 2 268
GLU 2 292
ASP 2 272
ALA 2 275
ALA 2 278
 None
 1.27A 2br4B-5udb2:
undetectable		 2br4B-5udb2:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wvx TRYPSIN/CHYMOTRYPSIN
INHIBITOR

(Alocasia
macrorrhizos) 		no annotation 5 LEU A  12
GLU A  70
GLY A 122
CYH A 138
ALA A 121
 None
 1.16A 2br4B-5wvxA:
undetectable		 2br4B-5wvxA:
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.
5wxi EARP

(Neisseria
meningitidis) 		no annotation 5 GLU A 355
GLY A 353
ASN A 348
ASP A 356
ALA A 306
 None
None
SO4  A 405 (-4.5A)
None
None
 1.26A 2br4B-5wxiA:
4.1		 2br4B-5wxiA:
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 GLY A 225
ARG A 251
ARG A 252
ALA A 306
ALA A 329
 NAP  A 501 (-3.6A)
NAP  A 501 (-3.6A)
NAP  A 501 (-4.0A)
NAP  A 501 (-3.5A)
NAP  A 501 ( 3.7A)
 1.02A 2br4B-5xwwA:
6.1		 2br4B-5xwwA:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLU A  60
GLY A  62
ASP A 133
ALA A 134
ALA A 135
 SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.3A)
 1.09A 2br4B-5zw4A:
14.3		 2br4B-5zw4A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 GLY A 153
ASN A  75
CYH A 182
ALA A 156
ALA A 159
 None
 1.26A 2br4B-6c62A:
undetectable		 2br4B-6c62A:
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 LEU A 317
GLY A 313
ASP A 310
ALA A 312
ALA A 307
 FAD  A 502 (-3.8A)
None
FAD  A 502 (-2.9A)
None
None
 1.22A 2br4B-6cmzA:
2.9		 2br4B-6cmzA:
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.
6gxz -

(-) 		no annotation 5 GLY A 308
ASN A 321
ARG A 322
ASP A 312
ALA A 311
 None
 1.19A 2br4B-6gxzA:
undetectable		 2br4B-6gxzA:
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.
1te2 2-DEOXYGLUCOSE-6-P
PHOSPHATASE

(Escherichia
coli) 		PF13419
(HAD_2) 		4 LEU A 113
SER A 147
ASP A  15
ASP A  20
 None
PGA  A 711 ( 4.8A)
PGA  A 711 ( 3.6A)
None
 1.47A 2br4B-1te2A:
3.3		 2br4B-1te2A:
25.87
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LEU A  30
SER A 183
ASP A 175
ASP A 335
 PD8  A1421 ( 4.7A)
None
None
None
 1.26A 2br4B-1w78A:
undetectable		 2br4B-1w78A:
20.71
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		4 LEU A 220
SER A 225
ASP A 154
ASP A 162
 None
None
None
CA  A 451 (-3.3A)
 1.49A 2br4B-2amgA:
undetectable		 2br4B-2amgA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		4 LEU A  18
SER A  95
ASP A 116
ASP A 138
 SAM  A 301 ( 4.4A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
 0.24A 2br4B-2br4A:
35.3		 2br4B-2br4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		4 LEU A 360
SER A 279
ASP A 241
ASP A 375
 None
None
ZN  A1002 ( 4.7A)
None
 1.19A 2br4B-2ek8A:
undetectable		 2br4B-2ek8A:
18.03
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		4 LEU A 140
SER A 179
ASP A 291
ASP A  75
 None
None
ZN  A 418 (-2.5A)
None
 1.27A 2br4B-2ogjA:
undetectable		 2br4B-2ogjA:
20.71
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.
2okk GLUTAMATE
DECARBOXYLASE 2

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 LEU A 182
SER A 405
ASP A 364
ASP A 345
 ABU  A 585 ( 3.9A)
LLP  A 396 ( 4.9A)
LLP  A 396 ( 2.6A)
None
 1.35A 2br4B-2okkA:
2.5		 2br4B-2okkA:
18.81
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.
2v4n MULTIFUNCTIONAL
PROTEIN SUR E

(Salmonella
enterica) 		PF01975
(SurE) 		4 LEU A 227
SER A 124
ASP A 213
ASP A 207
 None
 1.18A 2br4B-2v4nA:
undetectable		 2br4B-2v4nA:
21.25
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.
3c3w TWO COMPONENT
TRANSCRIPTIONAL
REGULATORY PROTEIN
DEVR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00196
(GerE) 		4 LEU A 188
SER A  83
ASP A 105
ASP A 145
 None
 1.29A 2br4B-3c3wA:
2.4		 2br4B-3c3wA:
20.47
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.
3c87 ENTEROCHELIN
ESTERASE

(Shigella
flexneri) 		PF00756
(Esterase)
PF11806
(DUF3327) 		4 LEU A 137
SER A 307
ASP A 201
ASP A 233
 None
 1.13A 2br4B-3c87A:
2.9		 2br4B-3c87A:
19.60
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.
3lfj PHOSPHOTRANSFERASE
SYSTEM,
MANNOSE/FRUCTOSE/N-A
CETYLGALACTOSAMINE-S
PECIFIC COMPONENT
IIB

(Caldanaerobacter
subterraneus) 		PF03830
(PTSIIB_sorb) 		4 LEU A 134
SER A 124
ASP A  88
ASP A  36
 None
 1.48A 2br4B-3lfjA:
undetectable		 2br4B-3lfjA:
18.64
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.
3ty2 5'-NUCLEOTIDASE SURE

(Coxiella
burnetii) 		PF01975
(SurE) 		4 LEU A 239
SER A 134
ASP A 225
ASP A 219
 None
 1.16A 2br4B-3ty2A:
undetectable		 2br4B-3ty2A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dwe UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15421
(Polysacc_deac_3) 		4 LEU A 250
SER A 276
ASP A 256
ASP A 219
 None
 1.31A 2br4B-4dweA:
undetectable		 2br4B-4dweA:
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		4 LEU A  91
SER A 287
ASP A 307
ASP A 129
 NOS  A 501 ( 4.8A)
None
NOS  A 501 (-2.8A)
None
 1.23A 2br4B-4f0sA:
undetectable		 2br4B-4f0sA:
19.64
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.
4jqo ORNITHINE
CARBAMOYLTRANSFERASE

(Vibrio
vulnificus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A  13
SER A  28
ASP A 142
ASP A 233
 CL  A 403 (-3.9A)
None
None
CIR  A 402 (-3.2A)
 1.37A 2br4B-4jqoA:
5.1		 2br4B-4jqoA:
19.39
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 895
SER A 668
ASP A 914
ASP A 525
 None
 1.35A 2br4B-4mz0A:
undetectable		 2br4B-4mz0A:
14.94
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.
4oyd APOPTOSIS REGULATOR
BHRF1
COMPUTATIONALLY
DESIGNED INHIBITOR

(Human
gammaherpesvirus
4;
synthetic
construct) 		PF00452
(Bcl-2)
no annotation 		4 LEU A  53
SER A  97
ASP A 156
ASP B  72
 None
 1.28A 2br4B-4oydA:
undetectable		 2br4B-4oydA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN

(Streptococcus
pyogenes) 		PF16569
(GramPos_pilinBB) 		4 LEU A 233
SER A 239
ASP A 227
ASP A 343
 None
 1.29A 2br4B-4p0dA:
undetectable		 2br4B-4p0dA:
17.15
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		4 LEU A 528
SER A 693
ASP A 307
ASP A 305
 None
 1.11A 2br4B-4qi4A:
3.0		 2br4B-4qi4A:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		4 LEU A 528
SER A 693
ASP A 307
ASP A 305
 None
 1.14A 2br4B-4qi6A:
undetectable		 2br4B-4qi6A:
15.62
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.
4w8l ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		4 LEU A 545
SER A 490
ASP A 505
ASP A 500
 None
None
None
CA  A1101 (-2.9A)
 1.32A 2br4B-4w8lA:
undetectable		 2br4B-4w8lA:
24.07
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.
4zm4 AMINOTRANSFERASE

(Streptomyces
pactum) 		PF00202
(Aminotran_3) 		4 LEU A 328
SER A 421
ASP A  73
ASP A  78
 None
 1.43A 2br4B-4zm4A:
2.2		 2br4B-4zm4A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		4 LEU A 311
SER A 300
ASP A 175
ASP A 336
 None
None
5V4  A 408 (-3.0A)
None
 1.38A 2br4B-5f4zA:
undetectable		 2br4B-5f4zA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 4 LEU A  89
SER A 273
ASP A 310
ASP A 315
 None
None
SOR  A 711 ( 3.2A)
None
 1.49A 2br4B-5m6gA:
undetectable		 2br4B-5m6gA:
16.28
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.
5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 6

(Homo sapiens) 		PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N) 		4 LEU A 119
SER A  73
ASP A 109
ASP A 156
 None
 1.21A 2br4B-5y3rA:
2.2		 2br4B-5y3rA:
18.47