SIMILAR PATTERNS OF AMINO ACIDS FOR 4C5N_B_PXLB300_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		5 GLY A 169
ALA A 164
GLY A 154
MET A 150
VAL A 314
 None
 1.26A 4c5nB-1eg1A:
undetectable		 4c5nB-1eg1A:
23.77
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.
1gq4 EZRIN-RADIXIN-MOESIN
BINDING
PHOSPHOPROTEIN-50

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  51
GLY A  52
VAL A  42
VAL A  90
CYH A  15
 None
None
CL  A1102 ( 4.9A)
None
None
 1.25A 4c5nB-1gq4A:
undetectable		 4c5nB-1gq4A:
12.81
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.
1im8 YECO

(Haemophilus
influenzae) 		PF13649
(Methyltransf_25) 		5 GLY A  86
ASP A  88
GLY A  63
VAL A  94
VAL A 120
 None
SAI  A 302 (-2.8A)
SAI  A 302 (-3.8A)
None
None
 1.26A 4c5nB-1im8A:
3.1		 4c5nB-1im8A:
19.86
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.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		5 ALA A  18
VAL A  49
VAL A 107
HIS A 209
CYH A 213
 HMH  A2001 ( 4.0A)
None
HMH  A2001 ( 4.7A)
SO4  A2005 (-4.3A)
HMH  A2001 (-3.6A)
 1.23A 4c5nB-1jxiA:
31.9		 4c5nB-1jxiA:
28.81
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.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		9 GLY A  11
ASP A  13
ALA A  18
GLY A  19
VAL A  42
MET A  80
VAL A 107
HIS A 209
CYH A 213
 HMH  A2001 (-3.6A)
None
HMH  A2001 ( 4.0A)
HMH  A2001 ( 3.8A)
None
HMH  A2001 ( 4.5A)
HMH  A2001 ( 4.7A)
SO4  A2005 (-4.3A)
HMH  A2001 (-3.6A)
 0.51A 4c5nB-1jxiA:
31.9		 4c5nB-1jxiA:
28.81
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.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 325
GLY A 326
VAL A 233
VAL A 294
CYH A 125
 None
 0.90A 4c5nB-1mzjA:
undetectable		 4c5nB-1mzjA:
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 GLY A 154
ASP A 151
GLY A 114
HIS A 147
HIS A 302
 None
ZN  A 401 (-2.6A)
None
ZN  A 402 (-3.5A)
ZN  A 401 (-3.4A)
 1.11A 4c5nB-1p9eA:
undetectable		 4c5nB-1p9eA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 GLY A  91
ASP A  88
GLY A  55
HIS A  84
HIS A 225
 None
ZN  A 270 (-2.4A)
None
ZN  A 271 (-3.2A)
ZN  A 270 (-3.2A)
 1.16A 4c5nB-1smlA:
undetectable		 4c5nB-1smlA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		5 GLY A  45
ALA A 476
GLY A 473
VAL A  38
VAL A  51
 None
 1.19A 4c5nB-1tdkA:
undetectable		 4c5nB-1tdkA:
20.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		5 ALA A  16
VAL A  47
VAL A 105
HIS A 206
CYH A 210
 None
GOL  A 301 ( 4.5A)
None
None
None
 1.24A 4c5nB-1ub0A:
34.1		 4c5nB-1ub0A:
36.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		7 GLY A   9
ASP A  11
ALA A  16
GLY A  17
VAL A 105
HIS A 206
CYH A 210
 None
 0.37A 4c5nB-1ub0A:
34.1		 4c5nB-1ub0A:
36.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uxi MALATE DEHYDROGENASE

(Chloroflexus
aurantiacus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 274
ALA A 239
GLY A 272
VAL A 114
VAL A 269
 None
 1.19A 4c5nB-1uxiA:
4.6		 4c5nB-1uxiA:
24.71
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.
1w5f CELL DIVISION
PROTEIN FTSZ

(Thermotoga
maritima) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 120
ALA A  91
GLY A  88
VAL A  53
VAL A 126
 G2P  A 500 (-3.4A)
None
None
None
None
 1.28A 4c5nB-1w5fA:
3.2		 4c5nB-1w5fA:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		5 GLY A 117
ASP A 114
GLY A  60
HIS A 110
HIS A 254
 CA  A 403 (-4.4A)
FE  A 402 ( 2.6A)
None
FE  A 401 (-3.5A)
FE  A 402 ( 3.4A)
 1.12A 4c5nB-1wraA:
undetectable		 4c5nB-1wraA:
23.84
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ASP A  81
ALA A  84
GLY A  87
HIS A  91
VAL A  10
 None
 1.15A 4c5nB-1x55A:
undetectable		 4c5nB-1x55A:
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.
1yb5 QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 159
GLY A 162
HIS A 155
VAL A 189
CYH A 166
 CL  A 816 ( 3.1A)
CL  A 816 (-3.3A)
NAP  A 801 (-4.4A)
None
None
 1.30A 4c5nB-1yb5A:
4.5		 4c5nB-1yb5A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 GLY A 774
ASP A1002
ALA A 779
HIS A 992
VAL A 801
 None
 1.14A 4c5nB-1yq2A:
3.5		 4c5nB-1yq2A:
13.56
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		5 GLY A 312
ASP A  42
GLY A  41
HIS A 320
HIS A 358
 None
ZN  A 902 ( 2.1A)
None
ZN  A 901 ( 3.3A)
ZN  A 902 (-3.2A)
 1.03A 4c5nB-1zefA:
undetectable		 4c5nB-1zefA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 GLY A 248
ALA A 275
GLY A 276
VAL A 252
CYH A 286
 None
 1.28A 4c5nB-2abqA:
21.1		 4c5nB-2abqA:
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.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		5 ASP A 168
ALA A 169
HIS A 382
VAL A 165
HIS A  94
 None
None
None
None
ZN  A 601 (-3.4A)
 1.09A 4c5nB-2az4A:
undetectable		 4c5nB-2az4A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		5 GLY A  92
ASP A  89
GLY A  35
HIS A  85
HIS A 229
 CA  A1552 (-4.4A)
ZN  A1549 ( 2.5A)
None
ZN  A1550 (-3.3A)
ZN  A1549 ( 3.2A)
 1.08A 4c5nB-2bibA:
undetectable		 4c5nB-2bibA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		5 GLY A  92
ASP A  89
GLY A  35
HIS A  87
VAL A  83
 CA  A1552 (-4.4A)
ZN  A1549 ( 2.5A)
None
ZN  A1550 ( 3.1A)
None
 1.31A 4c5nB-2bibA:
undetectable		 4c5nB-2bibA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bma GLUTAMATE
DEHYDROGENASE
(NADP+)

(Plasmodium
falciparum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 343
GLY A 345
VAL A 217
VAL A 235
CYH A 320
 None
 1.29A 4c5nB-2bmaA:
3.9		 4c5nB-2bmaA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 GLY A 176
ASP A 173
ALA A 123
HIS A 169
HIS A 344
 None
ZN  A1001 ( 2.5A)
ZN  A1001 ( 4.6A)
ZN  A1002 (-3.2A)
ZN  A1001 (-3.3A)
 0.89A 4c5nB-2cfzA:
undetectable		 4c5nB-2cfzA:
18.84
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.
2f4l ACETAMIDASE,
PUTATIVE

(Thermotoga
maritima) 		PF03069
(FmdA_AmdA) 		5 GLY A  60
ALA A 167
GLY A 166
VAL A 200
VAL A  23
 None
 1.19A 4c5nB-2f4lA:
undetectable		 4c5nB-2f4lA:
23.01
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.
2f4l ACETAMIDASE,
PUTATIVE

(Thermotoga
maritima) 		PF03069
(FmdA_AmdA) 		5 GLY A  92
GLY A  87
VAL A  95
HIS A  99
VAL A 185
 None
 1.29A 4c5nB-2f4lA:
undetectable		 4c5nB-2f4lA:
23.01
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.
2f6k METAL-DEPENDENT
HYDROLASE

(Lactobacillus
plantarum) 		PF04909
(Amidohydro_2) 		5 ASP A 266
ALA A 241
GLY A 264
HIS A 154
HIS A 205
 MN  A 402 (-2.7A)
None
None
MN  A 402 (-3.3A)
None
 1.10A 4c5nB-2f6kA:
undetectable		 4c5nB-2f6kA:
22.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		10 GLY A  11
ASP A  13
ALA A  18
GLY A  19
VAL A  42
HIS A  52
MET A  82
VAL A 109
HIS A 212
CYH A 216
 None
 0.37A 4c5nB-2i5bA:
42.1		 4c5nB-2i5bA:
49.63
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.
2m0u NA(+)/H(+) EXCHANGE
REGULATORY COFACTOR
NHE-RF1

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  51
GLY A  52
VAL A  42
VAL A  90
CYH A  15
 None
 1.20A 4c5nB-2m0uA:
undetectable		 4c5nB-2m0uA:
16.46
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.
2p10 MLL9387 PROTEIN

(Mesorhizobium
japonicum) 		PF09370
(PEP_hydrolase) 		5 GLY A  31
ALA A 258
GLY A 257
VAL A  52
VAL A 187
 None
CL  A 290 (-4.0A)
CL  A 289 (-3.6A)
None
None
 1.23A 4c5nB-2p10A:
2.9		 4c5nB-2p10A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 GLY A  83
ASP A  80
GLY A  50
HIS A  76
HIS A 255
 None
FE  A1002 (-2.5A)
None
FE  A1001 (-3.5A)
FE  A1002 (-3.5A)
 1.01A 4c5nB-2p4zA:
undetectable		 4c5nB-2p4zA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		5 GLY A 118
ASP A 115
GLY A  60
HIS A 111
HIS A 259
 None
PO4  A 279 (-2.9A)
None
ZN  A 278 ( 3.2A)
ZN  A 277 (-3.2A)
 1.13A 4c5nB-2r2dA:
undetectable		 4c5nB-2r2dA:
22.26
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.
2vsp PDZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A 415
GLY A 416
VAL A 406
VAL A 454
CYH A 379
 None
 1.24A 4c5nB-2vspA:
undetectable		 4c5nB-2vspA:
17.27
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 GLY A  76
ASP A  73
GLY A  40
HIS A  69
HIS A 221
 None
FE2  A 401 ( 2.8A)
None
FE2  A 402 (-3.4A)
FE2  A 401 ( 3.4A)
 1.12A 4c5nB-2vw8A:
undetectable		 4c5nB-2vw8A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 GLY A 277
ALA A 208
GLY A 281
VAL A 205
VAL A 561
 None
 1.02A 4c5nB-2w92A:
3.4		 4c5nB-2w92A:
17.23
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.
2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE

(Mycobacterium
tuberculosis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A  99
ASP A  76
GLY A  75
VAL A  72
VAL A 119
 None
 1.29A 4c5nB-2wtzA:
3.2		 4c5nB-2wtzA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 GLY A 186
ASP A 183
ALA A 133
HIS A 179
HIS A 355
 None
ZN  A 700 (-2.4A)
ZN  A 700 ( 4.4A)
ZN  A 701 (-3.3A)
ZN  A 700 (-3.2A)
 0.86A 4c5nB-2yheA:
undetectable		 4c5nB-2yheA:
17.46
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A  82
GLY A 114
VAL A  84
MET A 111
VAL A 136
 None
 1.18A 4c5nB-2z1aA:
2.1		 4c5nB-2z1aA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 GLY A 223
ASP A   9
GLY A   8
HIS A 231
HIS A 270
 None
SO4  A3004 ( 4.5A)
None
ZN  A1001 ( 3.2A)
ZN  A1001 (-4.8A)
 1.20A 4c5nB-3a52A:
undetectable		 4c5nB-3a52A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		5 GLY A  65
ASP A  62
GLY A  37
HIS A  58
HIS A 207
 EDO  A 265 ( 4.3A)
ZN  A 263 (-2.7A)
None
ZN  A 262 (-3.4A)
ZN  A 263 (-3.3A)
 1.10A 4c5nB-3adrA:
undetectable		 4c5nB-3adrA:
22.56
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 GLY A 153
ALA A 119
GLY A 135
VAL A 163
VAL A 132
 CL  A 304 (-3.5A)
None
CL  A 304 (-4.0A)
None
None
 1.26A 4c5nB-3cj8A:
undetectable		 4c5nB-3cj8A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fao NON-STRUCTURAL
PROTEIN

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05579
(Peptidase_S32) 		5 GLY A  23
ALA A 118
GLY A 119
VAL A  15
HIS A  39
 None
PO4  A 205 ( 3.8A)
None
None
PO4  A 205 (-4.0A)
 1.29A 4c5nB-3faoA:
undetectable		 4c5nB-3faoA:
20.85
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 GLY A 277
ALA A 208
GLY A 281
VAL A 205
VAL A 561
 None
 1.01A 4c5nB-3gdbA:
3.4		 4c5nB-3gdbA:
15.57
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.
3gzb PUTATIVE SNOAL-LIKE
POLYKETIDE CYCLASE

(Shewanella
putrefaciens) 		PF12680
(SnoaL_2) 		5 GLY A 103
GLY A 105
VAL A  76
HIS A  73
VAL A 117
 None
None
None
MRD  A 154 (-4.0A)
None
 1.32A 4c5nB-3gzbA:
undetectable		 4c5nB-3gzbA:
19.71
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		6 GLY A  64
ASP A  61
GLY A  33
HIS A  57
HIS A 224
CYH A   7
 None
ZN  A 256 ( 4.5A)
None
ZN  A 256 (-3.5A)
None
None
 1.30A 4c5nB-3h3eA:
2.2		 4c5nB-3h3eA:
23.90
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.
3juc AIG2-LIKE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF06094
(GGACT) 		5 ASP A  22
ALA A  24
GLY A  23
VAL A  19
MET A  74
 None
 1.17A 4c5nB-3jucA:
undetectable		 4c5nB-3jucA:
19.26
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 ASP A 404
ALA A 392
GLY A 389
VAL A 405
VAL A 343
 None
 1.25A 4c5nB-3k1jA:
undetectable		 4c5nB-3k1jA:
19.79
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.
3lub PUTATIVE CREATININE
AMIDOHYDROLASE

(Bacteroides
fragilis) 		PF02633
(Creatininase) 		5 GLY A 118
ALA A  29
GLY A  28
HIS A 162
HIS A  76
 None
ZN  A 301 ( 4.7A)
None
ZN  A 301 ( 4.6A)
None
 1.29A 4c5nB-3lubA:
2.0		 4c5nB-3lubA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3njb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 ASP A 153
GLY A 151
HIS A 157
VAL A 141
CYH A 147
 None
 1.27A 4c5nB-3njbA:
undetectable		 4c5nB-3njbA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o3p MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Rubrobacter
xylanophilus) 		PF00535
(Glycos_transf_2) 		5 GLY A 226
ASP A 117
ALA A 112
GLY A 114
VAL A 323
 None
None
None
GDD  A 340 (-3.2A)
None
 1.21A 4c5nB-3o3pA:
undetectable		 4c5nB-3o3pA:
22.03
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		5 ALA A  38
VAL A  69
VAL A 128
HIS A 239
CYH A 243
 None
None
SO4  A   1 (-3.5A)
None
None
 1.00A 4c5nB-3rm5A:
33.0		 4c5nB-3rm5A:
22.94
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		8 GLY A  31
ASP A  33
ALA A  38
GLY A  39
MET A 100
VAL A 128
HIS A 239
CYH A 243
 None
None
None
None
None
SO4  A   1 (-3.5A)
None
None
 0.37A 4c5nB-3rm5A:
33.0		 4c5nB-3rm5A:
22.94
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 ASP A 196
GLY A 201
VAL A 195
VAL A 122
CYH A 203
 None
 1.08A 4c5nB-3sghA:
undetectable		 4c5nB-3sghA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		5 GLY A 546
ALA A 461
GLY A 459
VAL A 491
HIS A 433
 None
ZN  A 595 ( 4.2A)
None
None
ZN  A 595 (-3.3A)
 1.09A 4c5nB-3u24A:
undetectable		 4c5nB-3u24A:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3un9 NLR FAMILY MEMBER X1

(Homo sapiens) 		PF13516
(LRR_6) 		5 GLY A 823
ASP A 821
ALA A 847
GLY A 820
VAL A 842
 None
 1.13A 4c5nB-3un9A:
3.2		 4c5nB-3un9A:
21.04
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 GLY A  84
ASP A  81
GLY A  48
HIS A  77
HIS A 199
 None
ZN  A1000 (-2.8A)
None
ZN  A1001 (-3.4A)
ZN  A1000 (-3.3A)
 0.97A 4c5nB-4ad9A:
undetectable		 4c5nB-4ad9A:
23.71
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 GLY A  84
ASP A  81
GLY A  48
HIS A  79
VAL A  75
 None
ZN  A1000 (-2.8A)
None
ZN  A1001 (-3.3A)
None
 1.25A 4c5nB-4ad9A:
undetectable		 4c5nB-4ad9A:
23.71
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 GLY A  84
ASP A  81
GLY A  48
VAL A  75
HIS A 199
 None
ZN  A1000 (-2.8A)
None
None
ZN  A1000 (-3.3A)
 1.21A 4c5nB-4ad9A:
undetectable		 4c5nB-4ad9A:
23.71
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.
4bf5 ALANINE RACEMASE

(Aeromonas
hydrophila) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 399
ASP A  76
ALA A  77
GLY A  79
VAL A  46
 None
 1.05A 4c5nB-4bf5A:
2.7		 4c5nB-4bf5A:
21.33
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.
4czt CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 23

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 GLY A 113
ASP A 163
ALA A 167
GLY A 166
VAL A 111
 CPS  A1316 (-3.9A)
SO4  A1318 (-4.6A)
None
None
SO4  A1318 (-3.8A)
 1.16A 4c5nB-4cztA:
undetectable		 4c5nB-4cztA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE

(Pseudomonas
putida) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 400
ASP A  77
ALA A  78
GLY A  80
VAL A  48
 None
 1.00A 4c5nB-4dyjA:
2.1		 4c5nB-4dyjA:
24.63
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 373
ASP A 378
ALA A 381
GLY A 371
VAL A 366
 None
 1.27A 4c5nB-4e1jA:
undetectable		 4c5nB-4e1jA:
20.81
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.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 GLY A 362
ALA A 368
GLY A 366
HIS A 280
CYH A 369
 None
 1.06A 4c5nB-4efcA:
undetectable		 4c5nB-4efcA:
18.38
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.
4fin ETTA (YJJK) ABCF
FAMILY PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF12848
(ABC_tran_Xtn) 		5 ALA A 350
GLY A 349
VAL A 323
HIS A 510
CYH A 493
 None
 0.86A 4c5nB-4finA:
undetectable		 4c5nB-4finA:
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.
4fk1 PUTATIVE THIOREDOXIN
REDUCTASE

(Bacillus
anthracis) 		PF07992
(Pyr_redox_2) 		5 GLY C  15
ALA C 288
GLY C 285
VAL C   8
VAL C  21
 None
 1.26A 4c5nB-4fk1C:
3.2		 4c5nB-4fk1C:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		6 ASP A  15
ALA A  20
GLY A  21
MET A  82
VAL A 109
CYH A 213
 None
 0.92A 4c5nB-4jjpA:
29.2		 4c5nB-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		6 GLY A  13
ASP A  15
ALA A  20
GLY A  21
VAL A 109
CYH A 213
 None
 0.74A 4c5nB-4jjpA:
29.2		 4c5nB-4jjpA:
38.83
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 GLY A 103
ASP A 100
GLY A  52
HIS A  96
HIS A 252
 None
ZN  A 301 (-3.1A)
None
ZN  A 302 (-3.4A)
ZN  A 301 ( 3.3A)
 1.13A 4c5nB-4keqA:
undetectable		 4c5nB-4keqA:
21.54
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.
4m9p FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		5 GLY A 583
ASP A 596
ALA A 595
GLY A 585
VAL A 645
 None
 1.07A 4c5nB-4m9pA:
undetectable		 4c5nB-4m9pA:
22.86
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.
4mgx FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		5 GLY A 578
ASP A 591
ALA A 590
GLY A 580
VAL A 640
 None
 1.06A 4c5nB-4mgxA:
undetectable		 4c5nB-4mgxA:
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.
4nq8 PUTATIVE PERIPLASMIC
SUBSTRATE-BINDING
TRANSPORT PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 GLY A 146
GLY A 234
HIS A 231
VAL A 213
HIS A 176
 None
None
None
PAF  A 401 ( 4.9A)
None
 1.33A 4c5nB-4nq8A:
undetectable		 4c5nB-4nq8A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pk1 CHIMERA PROTEIN OF
OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTORS BAMA AND
BAMB

(Escherichia
coli) 		PF07244
(POTRA)
PF13360
(PQQ_2) 		5 GLY A1344
ASP A1363
ALA A1382
GLY A1366
VAL A1362
 None
 1.20A 4c5nB-4pk1A:
undetectable		 4c5nB-4pk1A:
18.72
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 GLY A 390
ALA A 240
GLY A 238
VAL A 394
HIS A 175
 None
 1.31A 4c5nB-4u98A:
undetectable		 4c5nB-4u98A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 GLY A 124
ASP A 121
GLY A  88
HIS A 117
HIS A 234
 None
FE  A1243 (-2.9A)
None
FE  A1242 (-3.5A)
FE  A1243 (-3.2A)
 1.11A 4c5nB-4v0hA:
undetectable		 4c5nB-4v0hA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri) 		PF03480
(DctP) 		5 GLY A 127
ASP A 123
GLY A 124
HIS A 119
VAL A 326
 None
 1.23A 4c5nB-4x04A:
undetectable		 4c5nB-4x04A:
21.45
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.
4xgi GLUTAMATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 238
ALA A 312
GLY A 236
VAL A 165
HIS A  94
 NAD  A 500 (-3.2A)
NAD  A 500 (-3.4A)
NAD  A 500 (-3.3A)
NAD  A 500 (-3.5A)
None
 1.34A 4c5nB-4xgiA:
3.9		 4c5nB-4xgiA:
20.64
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.
4ywr PUTATIVE
HYDROXYMETHYLPYRIMID
INE
KINASE/PHOSPHOMETHYL
PYRIMIDINE KINASE

(Acinetobacter
baumannii) 		PF08543
(Phos_pyr_kin) 		6 GLY A  18
ASP A  20
ALA A  25
GLY A  26
MET A  87
VAL A 114
 PLP  A 300 ( 4.1A)
PLP  A 300 ( 4.8A)
PLP  A 300 (-2.9A)
PLP  A 300 (-3.4A)
PLP  A 300 ( 3.7A)
PLP  A 300 ( 4.8A)
 0.26A 4c5nB-4ywrA:
26.2		 4c5nB-4ywrA:
29.97
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 GLY A 152
ASP A 149
GLY A 112
HIS A 145
HIS A 305
 None
ZN  A 402 ( 2.6A)
None
ZN  A 401 (-3.3A)
ZN  A 402 ( 3.3A)
 1.03A 4c5nB-4zo3A:
undetectable		 4c5nB-4zo3A:
23.30
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.
4zpx ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF13654
(AAA_32) 		5 ASP A 404
ALA A 392
GLY A 389
VAL A 405
VAL A 343
 None
 1.25A 4c5nB-4zpxA:
undetectable		 4c5nB-4zpxA:
21.46
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.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		5 GLY A 169
ALA A 164
GLY A 152
MET A 148
VAL A 367
 None
 1.32A 4c5nB-4zzpA:
undetectable		 4c5nB-4zzpA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		5 GLY A 170
ALA A 165
GLY A 153
MET A 149
VAL A 365
 None
 1.30A 4c5nB-5ampA:
undetectable		 4c5nB-5ampA:
20.63
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.
5b4c UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00149
(Metallophos) 		5 GLY A 194
GLY A 115
VAL A 215
HIS A 202
CYH A 119
 None
None
None
None
GOL  A 302 (-3.6A)
 1.35A 4c5nB-5b4cA:
3.2		 4c5nB-5b4cA:
21.33
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.
5c5u PROLYL 4-HYDROXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF13640
(2OG-FeII_Oxy_3) 		5 GLY A 184
ASP A 187
ALA A 222
GLY A 223
HIS A 151
 None
None
None
UNX  A 302 ( 3.5A)
None
 0.95A 4c5nB-5c5uA:
undetectable		 4c5nB-5c5uA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 GLY A 472
ASP A 535
GLY A 473
VAL A 492
HIS A 476
 None
 1.34A 4c5nB-5cslA:
3.0		 4c5nB-5cslA:
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.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 GLY A  36
ASP A  18
ALA A  20
GLY A  19
VAL A  15
 None
 1.22A 4c5nB-5fzpA:
undetectable		 4c5nB-5fzpA:
23.74
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 GLY A 121
ASP A 118
GLY A  81
HIS A 114
HIS A 268
 None
ZN  A 401 ( 2.5A)
None
ZN  A 402 (-3.4A)
ZN  A 401 ( 3.2A)
 1.05A 4c5nB-5hifA:
undetectable		 4c5nB-5hifA:
24.32
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		5 GLY A 101
ASP A  98
GLY A  64
HIS A  94
HIS A 269
 None
ZN  A 401 (-3.0A)
None
ZN  A 400 (-3.6A)
ZN  A 401 (-3.5A)
 1.07A 4c5nB-5i0pA:
undetectable		 4c5nB-5i0pA:
21.93
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		5 GLY A 101
ASP A  98
GLY A  64
VAL A  92
HIS A 269
 None
ZN  A 401 (-3.0A)
None
None
ZN  A 401 (-3.5A)
 1.21A 4c5nB-5i0pA:
undetectable		 4c5nB-5i0pA:
21.93
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.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		5 GLY A 115
ASP A 112
GLY A  79
HIS A 108
HIS A 254
 None
ZN  A 402 (-2.4A)
None
ZN  A 401 (-3.2A)
ZN  A 402 (-3.2A)
 1.15A 4c5nB-5iqkA:
undetectable		 4c5nB-5iqkA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7k FN3CON-A-LYS

(synthetic
construct) 		PF00041
(fn3) 		5 ASP A  50
ALA A  28
GLY A  30
HIS A  53
VAL A  70
 None
 1.30A 4c5nB-5j7kA:
undetectable		 4c5nB-5j7kA:
15.16
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.
5k8b 8-AMINO-3,8-DIDEOXY-
ALPHA-D-MANNO-OCTULO
SONATE TRANSAMINASE

(Shewanella
oneidensis) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A 231
ASP A 212
GLY A 214
HIS A  56
HIS A 217
 None
 1.09A 4c5nB-5k8bA:
3.4		 4c5nB-5k8bA:
21.62
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.
5m3q EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Chaetomium
thermophilum) 		PF01912
(eIF-6) 		5 GLY A  69
ALA A  64
GLY A  65
VAL A 135
CYH A 110
 None
 0.86A 4c5nB-5m3qA:
undetectable		 4c5nB-5m3qA:
23.91
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B  63
ALA B 173
GLY B 172
HIS B 157
VAL B 167
 None
 1.17A 4c5nB-5n28B:
undetectable		 4c5nB-5n28B:
22.80
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B  64
ALA B 173
GLY B 172
HIS B 157
VAL B 167
 None
 1.28A 4c5nB-5n28B:
undetectable		 4c5nB-5n28B:
22.80
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 GLY A 113
ALA A 118
GLY A 116
VAL A 350
HIS A 348
 None
 1.33A 4c5nB-5svcA:
undetectable		 4c5nB-5svcA:
17.54
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 609
ASP A 661
ALA A 614
GLY A 613
VAL A 420
 None
 1.25A 4c5nB-5v9xA:
undetectable		 4c5nB-5v9xA:
14.53
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.
5wou PROTEIN LAP4

(Drosophila
melanogaster) 		no annotation 5 GLY A  17
ASP A  48
ALA A  44
GLY A  45
VAL A  41
 None
 1.26A 4c5nB-5wouA:
undetectable		 4c5nB-5wouA:
15.58
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.
5wpw 11S GLOBULIN ISOFORM
1

(Cocos nucifera) 		no annotation 5 GLY A 252
ALA A 201
GLY A 202
VAL A 255
CYH A 246
 None
 1.25A 4c5nB-5wpwA:
undetectable		 4c5nB-5wpwA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		5 GLY A 101
ASP A  98
GLY A  64
HIS A  94
HIS A 269
 None
CA  A 403 (-3.0A)
None
CA  A 404 (-3.4A)
CA  A 403 (-3.7A)
 1.11A 4c5nB-6ao1A:
undetectable		 4c5nB-6ao1A:
22.63