SIMILAR PATTERNS OF AMINO ACIDS FOR 4A7B_B_HAEB1270

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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		4 LEU A 250
HIS A 276
GLU A 281
HIS A 280
 None
 0.95A 4a7bB-1a0cA:
undetectable		 4a7bB-1a0cA:
17.89
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.
1cjx 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 LEU A 294
HIS A 161
GLU A 322
HIS A 240
 None
FE2  A 629 (-3.4A)
FE2  A 629 (-2.5A)
FE2  A 629 (-3.3A)
 1.31A 4a7bB-1cjxA:
undetectable		 4a7bB-1cjxA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dmw PHENYLALANINE
HYDROXYLASE

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 LEU A 248
HIS A 285
GLU A 286
HIS A 290
 HBI  A 700 ( 4.5A)
FE  A 425 (-3.4A)
None
FE  A 425 (-3.3A)
 1.23A 4a7bB-1dmwA:
undetectable		 4a7bB-1dmwA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbl FIBROBLAST
(INTERSTITIAL)
COLLAGENASE (MMP-1)

(Sus scrofa) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		4 HIS A 183
HIS A 218
GLU A 219
HIS A 222
 ZN  A 997 (-3.2A)
ZN  A 998 ( 3.5A)
HTA  A 900 (-3.0A)
ZN  A 998 ( 3.8A)
 0.40A 4a7bB-1fblA:
27.4		 4a7bB-1fblA:
34.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hfs STROMELYSIN-1

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 HIS A 166
HIS A 201
GLU A 202
HIS A 205
 ZN  A 258 ( 3.0A)
ZN  A 257 ( 3.1A)
L04  A 256 ( 2.7A)
ZN  A 257 ( 3.2A)
 0.26A 4a7bB-1hfsA:
28.9		 4a7bB-1hfsA:
61.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		4 HIS A 183
HIS A 219
GLU A 220
HIS A 223
 ZN  A5501 (-3.6A)
ZN  A5502 ( 3.4A)
RXP  A6001 (-3.0A)
ZN  A5502 (-3.4A)
 0.32A 4a7bB-1hv5A:
23.1		 4a7bB-1hv5A:
48.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l6j MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 LEU A 187
HIS A 190
HIS A 401
GLU A 402
HIS A 405
 None
ZN  A 501 (-3.4A)
ZN  A 500 (-3.4A)
ZN  A 500 ( 4.3A)
ZN  A 500 (-3.2A)
 0.68A 4a7bB-1l6jA:
24.2		 4a7bB-1l6jA:
24.12
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.
1lqw PEPTIDE DEFORMYLASE
PDF1

(Staphylococcus
aureus) 		PF01327
(Pep_deformylase) 		4 LEU A  41
HIS A 154
GLU A 155
HIS A 158
 None
ZN  A 202 (-3.7A)
None
ZN  A 202 (-3.7A)
 0.90A 4a7bB-1lqwA:
undetectable		 4a7bB-1lqwA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ma1 SUPEROXIDE DISMUTASE

(Methanothermobacter
thermautotrophicus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 LEU A  29
HIS A  33
HIS A 170
HIS A  80
 None
None
FE  A 206 (-3.3A)
FE  A 206 (-3.2A)
 1.31A 4a7bB-1ma1A:
undetectable		 4a7bB-1ma1A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 LEU A 269
HIS A 197
GLU A 115
HIS A 176
 None
FE  A 401 (-3.5A)
FE  A 401 (-2.6A)
FE  A 401 (-3.3A)
 1.15A 4a7bB-1o12A:
undetectable		 4a7bB-1o12A:
17.55
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.
1o5t TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		4 LEU A 441
HIS A 130
GLU A 408
HIS A 129
 None
 1.33A 4a7bB-1o5tA:
undetectable		 4a7bB-1o5tA:
18.35
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.
1od5 GLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		4 LEU A  40
HIS A  37
HIS A 173
GLU A 175
 None
 1.31A 4a7bB-1od5A:
undetectable		 4a7bB-1od5A:
14.23
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.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		4 LEU A 248
HIS A 285
GLU A 286
HIS A 290
 None
FE  A 501 ( 3.6A)
None
FE  A 501 ( 3.7A)
 1.19A 4a7bB-1phzA:
undetectable		 4a7bB-1phzA:
16.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qib 72 KDA TYPE IV
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 LEU A 163
HIS A 166
HIS A 201
GLU A 202
HIS A 205
 None
ZN  A 502 (-3.5A)
ZN  A 501 (-3.5A)
ZN  A 501 ( 4.5A)
ZN  A 501 (-3.5A)
 0.65A 4a7bB-1qibA:
27.7		 4a7bB-1qibA:
65.24
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.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		4 LEU A  87
HIS A 173
GLU A 116
HIS A  98
 None
ZN  A 604 (-3.7A)
ZN  A 604 (-2.7A)
ZN  A 604 (-3.7A)
 0.87A 4a7bB-1qwrA:
undetectable		 4a7bB-1qwrA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rm8 MATRIX
METALLOPROTEINASE-16

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 HIS A 208
HIS A 246
GLU A 247
HIS A 250
 ZN  A 501 (-3.2A)
ZN  A 500 ( 3.3A)
BAT  A 800 (-2.7A)
ZN  A 500 ( 3.2A)
 0.31A 4a7bB-1rm8A:
27.1		 4a7bB-1rm8A:
48.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1slm STROMELYSIN-1

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 HIS A 166
HIS A 201
GLU A 202
HIS A 205
 ZN  A 258 ( 3.0A)
ZN  A 257 ( 3.0A)
ZN  A 257 ( 4.1A)
ZN  A 257 ( 3.2A)
 0.15A 4a7bB-1slmA:
28.6		 4a7bB-1slmA:
43.14
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.
1t6p PHENYLALANINE
AMMONIA-LYASE

(Rhodotorula
toruloides) 		PF00221
(Lyase_aromatic) 		4 LEU A 283
HIS A 383
HIS A 381
HIS A  36
 None
 1.27A 4a7bB-1t6pA:
undetectable		 4a7bB-1t6pA:
12.63
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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 LEU A 350
HIS A 342
HIS A 283
GLU A 341
 None
 1.24A 4a7bB-1tuoA:
undetectable		 4a7bB-1tuoA:
15.97
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.
1txd RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 12

(Homo sapiens) 		PF00621
(RhoGEF) 		4 LEU A 943
HIS A 802
GLU A 799
HIS A 842
 None
 1.36A 4a7bB-1txdA:
undetectable		 4a7bB-1txdA:
15.64
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.
1xcr HYPOTHETICAL PROTEIN
PTD012

(Homo sapiens) 		PF08925
(DUF1907) 		4 LEU A  68
HIS A 268
GLU A 110
HIS A 278
 None
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
 1.08A 4a7bB-1xcrA:
undetectable		 4a7bB-1xcrA:
18.67
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.
1xcr HYPOTHETICAL PROTEIN
PTD012

(Homo sapiens) 		PF08925
(DUF1907) 		4 LEU A  68
HIS A 278
GLU A 110
HIS A 217
 None
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
None
 1.09A 4a7bB-1xcrA:
undetectable		 4a7bB-1xcrA:
18.67
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.
1xcr HYPOTHETICAL PROTEIN
PTD012

(Homo sapiens) 		PF08925
(DUF1907) 		4 LEU A 157
HIS A 278
GLU A 110
HIS A 217
 ACY  A2001 (-4.7A)
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
None
 1.29A 4a7bB-1xcrA:
undetectable		 4a7bB-1xcrA:
18.67
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.
1y3t HYPOTHETICAL PROTEIN
YXAG

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		4 LEU A  51
HIS A 103
GLU A  69
HIS A  64
 None
FE  A 401 (-3.5A)
FE  A 401 (-2.6A)
FE  A 401 (-3.3A)
 1.05A 4a7bB-1y3tA:
undetectable		 4a7bB-1y3tA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aie PEPTIDE DEFORMYLASE

(Streptococcus
pneumoniae) 		PF01327
(Pep_deformylase) 		4 LEU P  52
HIS P 173
GLU P 174
HIS P 177
 None
NI  P 502 ( 3.4A)
SB9  P 501 (-2.7A)
NI  P 502 ( 3.3A)
 0.90A 4a7bB-2aieP:
undetectable		 4a7bB-2aieP:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bdr UREIDOGLYCOLATE
HYDROLASE

(Pseudomonas
putida) 		PF04115
(Ureidogly_lyase) 		4 HIS A 127
HIS A  76
GLU A  74
HIS A 126
 None
NA  A 402 (-3.7A)
NA  A 402 (-3.3A)
NA  A 402 (-4.0A)
 1.39A 4a7bB-2bdrA:
undetectable		 4a7bB-2bdrA:
20.60
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.
2c6x CITRATE SYNTHASE 1

(Bacillus
subtilis) 		PF00285
(Citrate_synt) 		4 LEU A  26
HIS A 178
GLU A 177
HIS A 339
 None
CIT  A1366 (-3.0A)
None
None
 1.36A 4a7bB-2c6xA:
undetectable		 4a7bB-2c6xA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c91 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 HIS A 237
HIS A 320
GLU A 321
HIS A 236
 None
 1.38A 4a7bB-2c91A:
undetectable		 4a7bB-2c91A:
17.75
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.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Anabaena sp.) 		PF05996
(Fe_bilin_red) 		4 LEU A 223
HIS A  85
GLU A  73
HIS A  71
 None
 1.25A 4a7bB-2g18A:
undetectable		 4a7bB-2g18A:
18.95
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.
2gli PROTEIN (FIVE-FINGER
GLI)

(Homo sapiens) 		PF00096
(zf-C2H2) 		4 LEU A 148
HIS A 140
HIS A 160
HIS A 164
 None
None
CO  A 259 (-3.2A)
CO  A 259 (-3.1A)
 1.20A 4a7bB-2gliA:
undetectable		 4a7bB-2gliA:
18.93
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 LEU A  42
HIS A   9
HIS A  13
HIS A  11
 None
None
ZN  A1222 (-3.3A)
ZN  A1222 (-3.2A)
 1.36A 4a7bB-2hpiA:
undetectable		 4a7bB-2hpiA:
9.29
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.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		4 LEU D 240
HIS D 156
HIS D 121
GLU D 123
 None
 1.36A 4a7bB-2j5gD:
undetectable		 4a7bB-2j5gD:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jsd MATRIX
METALLOPROTEINASE-20

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 HIS A 191
HIS A 226
GLU A 227
HIS A 230
 ZN  A 275 (-3.4A)
NGH  A 277 ( 3.0A)
NGH  A 277 (-3.6A)
ZN  A 276 ( 3.3A)
 0.79A 4a7bB-2jsdA:
24.4		 4a7bB-2jsdA:
58.18
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.
2os1 PEPTIDE DEFORMYLASE

(Enterococcus
faecalis) 		PF01327
(Pep_deformylase) 		4 LEU A  41
HIS A 157
GLU A 158
HIS A 161
 None
NI  A 300 ( 3.5A)
BB2  A 400 (-2.6A)
NI  A 300 ( 3.5A)
 0.84A 4a7bB-2os1A:
undetectable		 4a7bB-2os1A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2os3 PEPTIDE DEFORMYLASE

(Streptococcus
pyogenes) 		PF01327
(Pep_deformylase) 		4 LEU A  53
HIS A 174
GLU A 175
HIS A 178
 None
CO  A 300 ( 3.6A)
BB2  A 400 (-2.8A)
CO  A 300 ( 3.4A)
 0.84A 4a7bB-2os3A:
undetectable		 4a7bB-2os3A:
20.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oy4 NEUTROPHIL
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 HIS A 162
HIS A 197
GLU A 198
HIS A 201
 ZN  A 998 (-3.3A)
ZN  A 999 (-3.2A)
ZN  A 999 ( 4.4A)
ZN  A 999 (-3.4A)
 0.16A 4a7bB-2oy4A:
28.6		 4a7bB-2oy4A:
60.74
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.
2p0n HYPOTHETICAL PROTEIN
NMB1532

(Neisseria
meningitidis) 		PF01814
(Hemerythrin) 		4 LEU A 137
HIS A  96
GLU A  70
HIS A  67
 None
MN  A 605 (-3.4A)
MN  A 604 (-2.5A)
CL  A 608 (-4.4A)
 1.32A 4a7bB-2p0nA:
undetectable		 4a7bB-2p0nA:
20.54
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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		4 HIS A 131
HIS A 113
GLU A 134
HIS A 111
 None
ZN  A 278 ( 3.2A)
None
ZN  A 278 ( 3.2A)
 1.27A 4a7bB-2r2dA:
undetectable		 4a7bB-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.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		4 LEU A 294
HIS A 331
GLU A 332
HIS A 336
 HBI  A 500 (-4.7A)
FE  A 501 ( 3.3A)
HBI  A 500 (-3.2A)
FE  A 501 ( 3.4A)
 1.08A 4a7bB-2tohA:
undetectable		 4a7bB-2tohA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		4 LEU A 253
HIS A 329
GLU A 290
HIS A 285
 ACT  A1395 (-4.8A)
MN  A1006 (-3.5A)
MN  A1006 ( 2.3A)
MN  A1006 ( 3.5A)
 1.31A 4a7bB-2vqaA:
undetectable		 4a7bB-2vqaA:
18.54
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.
2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE

(Bacillus
subtilis) 		no annotation 4 LEU A  58
HIS A 137
GLU A  82
HIS A  71
 None
ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
 0.95A 4a7bB-2y0oA:
undetectable		 4a7bB-2y0oA:
18.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y6c MATRILYSIN

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 HIS A 183
HIS A 219
GLU A 220
HIS A 223
 ZN  A1266 ( 3.3A)
ZN  A1267 ( 3.2A)
TQI  A1269 (-2.9A)
ZN  A1267 ( 3.3A)
 0.15A 4a7bB-2y6cA:
25.6		 4a7bB-2y6cA:
52.73
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.
2yyb HYPOTHETICAL PROTEIN
TTHA1606

(Thermus
thermophilus) 		PF01784
(NIF3) 		4 LEU A  98
HIS A  65
GLU A 214
HIS A 210
 None
 1.38A 4a7bB-2yybA:
undetectable		 4a7bB-2yybA:
24.31
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 LEU A 157
HIS A  38
GLU A  80
HIS A   7
 None
ZN  A 501 (-3.2A)
FE  A 502 ( 2.6A)
FE  A 503 (-3.4A)
 1.24A 4a7bB-2z4gA:
undetectable		 4a7bB-2z4gA:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ba0 MACROPHAGE
METALLOELASTASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		4 HIS A 183
HIS A 218
GLU A 219
HIS A 222
 ZN  A 472 (-3.1A)
ZN  A 471 (-4.0A)
ZN  A 471 ( 3.2A)
HAE  A 477 ( 3.1A)
 0.59A 4a7bB-3ba0A:
26.6		 4a7bB-3ba0A:
31.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bww PROTEIN OF UNKNOWN
FUNCTION
DUF692/COG3220

(Histophilus
somni) 		PF05114
(DUF692) 		4 LEU A  61
HIS A 169
GLU A 138
HIS A 203
 None
None
FE  A 307 (-2.5A)
FE  A 308 (-3.4A)
 1.09A 4a7bB-3bwwA:
undetectable		 4a7bB-3bwwA:
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.
3c8v PUTATIVE
ACETYLTRANSFERASE

(Desulfovibrio
alaskensis) 		no annotation 4 LEU A 280
HIS A 124
GLU A 300
HIS A 317
 None
None
None
EDO  A 490 (-4.1A)
 1.33A 4a7bB-3c8vA:
undetectable		 4a7bB-3c8vA:
15.77
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		4 LEU A  55
HIS A   8
GLU A 121
HIS A 179
 None
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.5A)
ZN  A 301 (-3.2A)
 1.21A 4a7bB-3cjpA:
undetectable		 4a7bB-3cjpA:
19.70
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.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		4 HIS A 578
HIS A 465
GLU A 517
HIS A 460
 None
ZN  A 712 (-3.3A)
ZN  A 712 (-2.3A)
ZN  A 712 (-3.3A)
 1.33A 4a7bB-3cskA:
undetectable		 4a7bB-3cskA:
13.62
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.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		4 LEU A 631
HIS A 609
HIS A 392
HIS A 610
 None
 1.27A 4a7bB-3d3lA:
undetectable		 4a7bB-3d3lA:
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 LEU A 184
HIS A  40
GLU A  93
HIS A   8
 None
ZN  A 301 (-3.5A)
FE  A 311 ( 2.6A)
FE  A 311 (-3.4A)
 1.26A 4a7bB-3dcpA:
undetectable		 4a7bB-3dcpA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		4 LEU A  16
HIS A 231
GLU A 137
HIS A 210
 None
MG  A 356 (-3.5A)
MG  A 357 ( 2.4A)
MG  A 356 (-3.4A)
 1.28A 4a7bB-3fdgA:
undetectable		 4a7bB-3fdgA:
20.77
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.
3g6n PEPTIDE DEFORMYLASE

(Enterococcus
faecium) 		PF01327
(Pep_deformylase) 		4 LEU A  41
HIS A 157
GLU A 158
HIS A 161
 None
FE  A 188 (-3.4A)
FE  A 188 ( 4.8A)
FE  A 188 (-3.5A)
 0.88A 4a7bB-3g6nA:
undetectable		 4a7bB-3g6nA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7t ENVELOPE PROTEIN

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 LEU A 351
HIS A 282
GLU A  26
HIS A  27
 None
 1.16A 4a7bB-3g7tA:
undetectable		 4a7bB-3g7tA:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbf PHPD

(Streptomyces
viridochromogenes) 		no annotation 4 LEU A 113
HIS A 182
GLU A 176
HIS A 129
 None
CD  A 513 ( 3.5A)
2HE  A 550 ( 2.5A)
CD  A 513 ( 3.5A)
 1.22A 4a7bB-3gbfA:
undetectable		 4a7bB-3gbfA:
16.22
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.
3h1w MANNOSE-6-PHOSPHATE
ISOMERASE

(Salmonella
enterica) 		PF01238
(PMI_typeI) 		4 LEU A  88
HIS A 255
GLU A 134
HIS A  99
 None
ZN  A 397 (-3.2A)
ZN  A 397 ( 2.3A)
ZN  A 397 (-3.3A)
 1.29A 4a7bB-3h1wA:
undetectable		 4a7bB-3h1wA:
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.
3hbn UDP-SUGAR HYDROLASE

(Campylobacter
jejuni) 		no annotation 4 LEU A 172
HIS A 279
HIS A 281
HIS A 280
 None
 1.32A 4a7bB-3hbnA:
undetectable		 4a7bB-3hbnA:
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 LEU A 116
HIS A 259
GLU A 262
HIS A 296
 None
ZN  A 480 (-3.5A)
None
ZN  A 480 ( 4.8A)
 1.22A 4a7bB-3hpaA:
undetectable		 4a7bB-3hpaA:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l87 PEPTIDE DEFORMYLASE

(Streptococcus
mutans) 		PF01327
(Pep_deformylase) 		4 LEU A  53
HIS A 174
GLU A 175
HIS A 178
 None
FE  A 205 (-3.5A)
FE  A 205 ( 4.1A)
FE  A 205 (-3.8A)
 0.91A 4a7bB-3l87A:
undetectable		 4a7bB-3l87A:
19.92
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 LEU A  55
HIS A 230
HIS A 269
HIS A 232
 None
None
None
ZN  A 454 (-3.3A)
 1.27A 4a7bB-3mduA:
undetectable		 4a7bB-3mduA:
15.23
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.
3n3b RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
SUBUNIT BETA

(Escherichia
coli) 		no annotation 4 LEU B 157
HIS B 195
GLU B  98
HIS B 101
 None
MN  B 321 (-3.4A)
MN  B 321 ( 2.4A)
MN  B 320 (-3.5A)
 1.26A 4a7bB-3n3bB:
undetectable		 4a7bB-3n3bB:
18.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o2x COLLAGENASE 3

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 LEU A1184
HIS A1187
HIS A1222
GLU A1223
HIS A1226
 3O2  A1801 ( 4.5A)
ZN  A1998 ( 3.2A)
ZN  A1999 ( 3.2A)
3O2  A1801 (-2.7A)
ZN  A1999 ( 3.4A)
 0.68A 4a7bB-3o2xA:
30.9		 4a7bB-3o2xA:
99.39
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.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		4 LEU A 571
HIS A 431
GLU A 428
HIS A 471
 None
 1.38A 4a7bB-3odxA:
undetectable		 4a7bB-3odxA:
16.03
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.
3qu1 PEPTIDE DEFORMYLASE
2

(Vibrio cholerae) 		PF01327
(Pep_deformylase) 		4 LEU A  38
HIS A 133
GLU A 134
HIS A 137
 None
ZN  A 501 (-3.3A)
ZN  A 505 (-2.1A)
ZN  A 501 (-3.2A)
 1.10A 4a7bB-3qu1A:
undetectable		 4a7bB-3qu1A:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3shi INTERSTITIAL
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 HIS A 183
HIS A 218
GLU A 219
HIS A 222
 ZN  A 302 (-3.1A)
ZN  A 301 (-3.3A)
ZN  A 301 ( 4.7A)
ZN  A 301 (-3.4A)
 0.25A 4a7bB-3shiA:
28.5		 4a7bB-3shiA:
58.28
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.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		4 HIS A 207
HIS A 225
GLU A 239
HIS A 236
 None
None
ZN  A 461 (-4.2A)
None
 1.18A 4a7bB-3tqoA:
undetectable		 4a7bB-3tqoA:
15.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v96 STROMELYSIN-2

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 HIS B 182
HIS B 217
GLU B 218
HIS B 221
 ZN  B 302 (-3.2A)
ZN  B 301 (-3.2A)
ZN  B 301 ( 3.9A)
ZN  B 301 (-3.3A)
 0.14A 4a7bB-3v96B:
29.5		 4a7bB-3v96B:
62.42
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		4 LEU A 180
HIS A 313
GLU A 275
HIS A 291
 None
ZN  A1363 ( 3.4A)
None
PO4  A1365 (-3.8A)
 1.26A 4a7bB-3zwfA:
undetectable		 4a7bB-3zwfA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bt6 ALPHA-ACETOLACTATE
DECARBOXYLASE

(Brevibacillus
brevis) 		PF03306
(AAL_decarboxy) 		4 LEU A  62
HIS A 196
GLU A  65
HIS A 207
 None
ZN  A1257 ( 3.3A)
GOL  A1258 (-2.7A)
ZN  A1257 ( 3.2A)
 0.91A 4a7bB-4bt6A:
undetectable		 4a7bB-4bt6A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4clc UPF0303 PROTEIN
YBR137W

(Saccharomyces
cerevisiae) 		PF03928
(Haem_degrading) 		4 LEU E  19
HIS E 100
HIS E 157
GLU E  26
 None
 1.28A 4a7bB-4clcE:
undetectable		 4a7bB-4clcE:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		4 LEU A  60
HIS A 235
HIS A 274
HIS A 237
 None
None
None
FE  A 501 (-3.5A)
 1.18A 4a7bB-4f0lA:
undetectable		 4a7bB-4f0lA:
15.11
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 HIS A 239
HIS A 273
GLU A 274
HIS A 277
 None
ZN  A 602 ( 3.4A)
MAE  A 601 ( 3.5A)
ZN  A 602 ( 3.2A)
 1.10A 4a7bB-4fgmA:
5.6		 4a7bB-4fgmA:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fvl COLLAGENASE 3

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		4 LEU A 184
HIS A 187
HIS A 222
HIS A 226
 None
ZN  A 502 (-3.3A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.1A)
 0.72A 4a7bB-4fvlA:
29.3		 4a7bB-4fvlA:
99.41
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.
4gqm CT009

(Chlamydia
trachomatis) 		PF13413
(HTH_25) 		4 LEU A 101
HIS A   6
HIS A   0
HIS A   4
 None
 1.22A 4a7bB-4gqmA:
undetectable		 4a7bB-4gqmA:
17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gr8 MACROPHAGE
METALLOELASTASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 HIS A 183
HIS A 218
GLU A 219
HIS A 222
 ZN  A 302 (-3.2A)
R4C  A 306 ( 3.2A)
R4C  A 306 (-2.7A)
ZN  A 301 ( 3.2A)
 0.18A 4a7bB-4gr8A:
27.6		 4a7bB-4gr8A:
58.55
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 LEU A 184
HIS A 437
GLU A 448
HIS A 440
 None
 1.13A 4a7bB-4h1sA:
undetectable		 4a7bB-4h1sA:
14.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4in9 KARILYSIN PROTEASE

(Tannerella
forsythia) 		PF00413
(Peptidase_M10) 		4 HIS A 117
HIS A 155
GLU A 156
HIS A 159
 ZN  A 302 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.2A)
ZN  A 301 (-3.3A)
 0.28A 4a7bB-4in9A:
23.1		 4a7bB-4in9A:
45.61
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.
4j1x EPOXIDASE

(Streptomyces
wedmorensis) 		PF01381
(HTH_3)
PF07883
(Cupin_2) 		4 LEU A 120
HIS A 180
GLU A 142
HIS A 138
 None
FE2  A 201 ( 3.4A)
1JJ  A 202 ( 2.5A)
FE2  A 201 ( 3.3A)
 1.38A 4a7bB-4j1xA:
undetectable		 4a7bB-4j1xA:
21.95
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.
4pvg TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 LEU A 525
HIS A 443
GLU A 440
HIS A 444
 None
 1.30A 4a7bB-4pvgA:
undetectable		 4a7bB-4pvgA:
18.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 LEU A 187
HIS A 190
HIS A 226
GLU A 227
HIS A 230
 N73  A 301 (-4.0A)
ZN  A 303 ( 3.2A)
ZN  A 302 ( 3.2A)
N73  A 301 (-2.5A)
ZN  A 302 ( 3.3A)
 0.67A 4a7bB-4xctA:
28.3		 4a7bB-4xctA:
57.83
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 LEU C 327
HIS C 224
GLU C 225
HIS C 251
 None
NI  C 601 (-4.7A)
None
NI  C 601 (-3.3A)
 1.15A 4a7bB-4z42C:
undetectable		 4a7bB-4z42C:
15.14
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.
4zd5 AMSH-LIKE PROTEASE
SST2

(Schizosaccharomyces
pombe) 		PF01398
(JAB) 		4 LEU A 402
HIS A 343
GLU A 286
HIS A 341
 None
ZN  A 501 (-3.3A)
EDO  A 505 (-3.2A)
ZN  A 501 ( 3.2A)
 0.83A 4a7bB-4zd5A:
undetectable		 4a7bB-4zd5A:
21.74
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		4 LEU A  56
HIS A  55
HIS A  89
HIS A 478
 None
 1.23A 4a7bB-5dpdA:
undetectable		 4a7bB-5dpdA:
14.47
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.
5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Homo sapiens) 		PF00903
(Glyoxalase)
PF13669
(Glyoxalase_4) 		4 LEU A 323
HIS A 183
GLU A 349
HIS A 266
 LEU  A 323 ( 0.6A)
HIS  A 183 (-1.0A)
GLU  A 349 (-0.6A)
HIS  A 266 (-1.0A)
 1.32A 4a7bB-5ec3A:
undetectable		 4a7bB-5ec3A:
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		4 LEU A 217
HIS A 107
HIS A 238
HIS A 256
 None
None
ZN  A2001 (-3.6A)
ZN  A2001 (-3.6A)
 1.24A 4a7bB-5fb3A:
undetectable		 4a7bB-5fb3A:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h0u MATRIX
METALLOPROTEINASE-14

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 HIS A 201
HIS A 239
GLU A 240
HIS A 243
 ZN  A 303 (-3.2A)
ZN  A 302 ( 3.3A)
GOL  A 311 (-4.2A)
ZN  A 302 (-3.4A)
 0.17A 4a7bB-5h0uA:
27.8		 4a7bB-5h0uA:
48.02
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		4 LEU A 574
HIS A 443
GLU A 599
HIS A 521
 None
MG  A 702 (-3.3A)
MG  A 702 (-2.5A)
MG  A 702 (-3.5A)
 1.39A 4a7bB-5hmqA:
undetectable		 4a7bB-5hmqA:
14.31
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.
5jf0 PEPTIDE DEFORMYLASE

(Streptococcus
agalactiae) 		PF01327
(Pep_deformylase) 		4 LEU A  53
HIS A 174
GLU A 175
HIS A 178
 None
NI  A 302 (-3.2A)
NI  A 302 ( 4.3A)
NI  A 302 (-3.2A)
 0.85A 4a7bB-5jf0A:
undetectable		 4a7bB-5jf0A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jk6 PHENYLALANINE-4-HYDR
OXYLASE

(Dictyostelium
discoideum) 		PF00351
(Biopterin_H) 		4 LEU A 236
HIS A 273
GLU A 274
HIS A 278
 None
FE  A 502 (-3.2A)
None
FE  A 502 (-3.2A)
 1.08A 4a7bB-5jk6A:
undetectable		 4a7bB-5jk6A:
17.65
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.
5kbm CELL SURFACE CU-ONLY
SUPEROXIDE DISMUTASE
5

(Candida
albicans) 		PF00080
(Sod_Cu) 		4 HIS A 109
HIS A  93
GLU A 110
HIS A  75
 None
CU1  A 201 (-4.2A)
None
CU1  A 201 (-3.0A)
 1.34A 4a7bB-5kbmA:
undetectable		 4a7bB-5kbmA:
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		4 LEU A 722
HIS A 756
GLU A 757
HIS A 760
 None
ZN  A1101 (-3.3A)
ZN  A1101 ( 4.3A)
ZN  A1101 ( 3.3A)
 1.01A 4a7bB-5kdsA:
3.5		 4a7bB-5kdsA:
15.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 LEU A 187
HIS A 190
HIS A 401
GLU A 402
HIS A 405
 None
ZN  A 502 (-3.2A)
ZN  A 501 (-3.3A)
ZN  A 501 ( 4.2A)
ZN  A 501 (-3.2A)
 0.61A 4a7bB-5th6A:
24.0		 4a7bB-5th6A:
44.64
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.
5u5d (S)-2-HYDROXYPROPYLP
HOSPHONIC ACID
EPOXIDASE

(Pseudomonas
syringae) 		PF07883
(Cupin_2) 		4 LEU A 110
HIS A 171
GLU A 132
HIS A 128
 None
MN  A 301 ( 3.6A)
MN  A 301 ( 2.5A)
MN  A 301 ( 3.5A)
 1.32A 4a7bB-5u5dA:
undetectable		 4a7bB-5u5dA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u5d (S)-2-HYDROXYPROPYLP
HOSPHONIC ACID
EPOXIDASE

(Pseudomonas
syringae) 		PF07883
(Cupin_2) 		4 LEU A 112
HIS A 171
GLU A 132
HIS A 128
 TB6  A 302 (-4.2A)
MN  A 301 ( 3.6A)
MN  A 301 ( 2.5A)
MN  A 301 ( 3.5A)
 1.16A 4a7bB-5u5dA:
undetectable		 4a7bB-5u5dA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wu7 UNCHARACTERIZED
PROTEIN

(Pyrococcus
horikoshii) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 LEU A 550
HIS A 491
HIS A  19
HIS A 489
 None
 1.37A 4a7bB-5wu7A:
undetectable		 4a7bB-5wu7A:
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.
5xbn WSS1P

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A  79
HIS A 115
GLU A 116
HIS A 119
 None
ZN  A 201 (-3.2A)
ZN  A 201 ( 4.7A)
ZN  A 201 (-3.3A)
 0.44A 4a7bB-5xbnA:
4.6		 4a7bB-5xbnA:
18.67
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.
5xne -

(-) 		no annotation 4 LEU B  59
HIS B 193
GLU B  62
HIS B 204
 None
ZN  B 301 (-3.4A)
ZN  B 301 ( 4.5A)
ZN  B 301 (-3.3A)
 1.14A 4a7bB-5xneB:
undetectable		 4a7bB-5xneB:
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.
5ysb LIN1841 PROTEIN

(Listeria
innocua) 		no annotation 4 HIS A 419
HIS A  75
GLU A 100
HIS A 418
 ZN  A 514 (-2.7A)
ZN  A 501 (-3.0A)
ZN  A 501 (-2.1A)
ZN  A 501 ( 2.9A)
 1.39A 4a7bB-5ysbA:
undetectable		 4a7bB-5ysbA:
17.75
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.
6amw TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1) 		4 LEU A  61
HIS A 114
GLU A 117
HIS A  21
 None
 1.25A 4a7bB-6amwA:
undetectable		 4a7bB-6amwA:
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 4 LEU A 281
HIS A 209
GLU A 122
HIS A 188
 None
CD  A 403 ( 3.7A)
CD  A 403 (-2.4A)
CD  A 403 ( 3.6A)
 1.23A 4a7bB-6fv4A:
undetectable		 4a7bB-6fv4A:
19.32