SIMILAR PATTERNS OF AMINO ACIDS FOR 4PAH_A_LNRA600_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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		5 LEU A 189
HIS A  12
HIS A  14
TYR A  84
GLU A 125
 None
ZN  A   1 (-3.5A)
ZN  A   1 (-3.4A)
None
ZN  A 293 ( 2.5A)
 1.36A 4pahA-1bf6A:
undetectable		 4pahA-1bf6A:
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.
1bqb PROTEIN (AUREOLYSIN)

(Staphylococcus
aureus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 144
HIS A 148
TYR A 159
GLU A 168
 ZN  A 350 (-3.3A)
ZN  A 350 (-3.3A)
None
ZN  A 350 (-2.2A)
 0.89A 4pahA-1bqbA:
undetectable		 4pahA-1bqbA:
21.86
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.
1bqb PROTEIN (AUREOLYSIN)

(Staphylococcus
aureus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 LEU A 258
HIS A 148
HIS A 144
GLU A 168
 None
ZN  A 350 (-3.3A)
ZN  A 350 (-3.3A)
ZN  A 350 (-2.2A)
 1.02A 4pahA-1bqbA:
undetectable		 4pahA-1bqbA:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dmw PHENYLALANINE
HYDROXYLASE

(Homo sapiens) 		PF00351
(Biopterin_H) 		6 LEU A 248
PHE A 254
HIS A 285
HIS A 290
TYR A 325
GLU A 330
 HBI  A 700 ( 4.5A)
HBI  A 700 (-3.6A)
FE  A 425 (-3.4A)
FE  A 425 (-3.3A)
HBI  A 700 (-3.8A)
FE  A 425 (-2.5A)
 0.40A 4pahA-1dmwA:
53.5		 4pahA-1dmwA:
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.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 LEU A 229
HIS A 499
TYR A 491
GLU A 482
 None
 1.05A 4pahA-1dppA:
undetectable		 4pahA-1dppA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		4 LEU A 123
PHE A 122
HIS A 345
TYR A 787
 None
None
GLC  A 998 (-4.3A)
None
 1.10A 4pahA-1e4oA:
undetectable		 4pahA-1e4oA:
16.31
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.
1ltz PHENYLALANINE-4-HYDR
OXYLASE

(Chromobacterium
violaceum) 		PF00351
(Biopterin_H) 		4 LEU A 101
PHE A 107
TYR A 179
GLU A 184
 HBI  A 500 ( 4.5A)
HBI  A 500 (-3.8A)
HBI  A 500 ( 4.0A)
FE  A 400 (-1.9A)
 0.94A 4pahA-1ltzA:
28.0		 4pahA-1ltzA:
28.31
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.
1ltz PHENYLALANINE-4-HYDR
OXYLASE

(Chromobacterium
violaceum) 		PF00351
(Biopterin_H) 		5 PHE A 107
HIS A 138
HIS A 143
TYR A 179
GLU A 184
 HBI  A 500 (-3.8A)
FE  A 400 (-3.3A)
FE  A 400 (-3.4A)
HBI  A 500 ( 4.0A)
FE  A 400 (-1.9A)
 0.55A 4pahA-1ltzA:
28.0		 4pahA-1ltzA:
28.31
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.
1mpy CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase) 		4 LEU A 212
HIS A 153
TYR A 255
GLU A 265
 None
FE2  A 308 (-3.6A)
None
FE2  A 308 (-2.6A)
 0.66A 4pahA-1mpyA:
undetectable		 4pahA-1mpyA:
23.42
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 143
HIS A 147
TYR A 158
GLU A 167
 ZN  A 323 ( 3.3A)
ZN  A 323 ( 3.2A)
None
ZN  A 323 ( 2.0A)
 0.83A 4pahA-1npcA:
undetectable		 4pahA-1npcA:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		5 LEU A 248
PHE A 254
HIS A 290
TYR A 325
GLU A 330
 None
None
FE  A 501 ( 3.7A)
None
FE  A 501 ( 2.8A)
 0.74A 4pahA-1phzA:
47.5		 4pahA-1phzA:
95.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		5 PHE A 254
HIS A 285
HIS A 290
TYR A 325
GLU A 330
 None
FE  A 501 ( 3.6A)
FE  A 501 ( 3.7A)
None
FE  A 501 ( 2.8A)
 0.57A 4pahA-1phzA:
47.5		 4pahA-1phzA:
95.45
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.
1pss PHOTOSYNTHETIC
REACTION CENTER

(Rhodobacter
sphaeroides) 		PF00124
(Photo_RC) 		4 LEU M 224
HIS L 190
HIS M 266
GLU M 234
 None
FE  M 302 ( 3.3A)
FE  M 302 (-3.3A)
FE  M 302 (-1.9A)
 1.10A 4pahA-1pssM:
undetectable		 4pahA-1pssM:
22.52
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.
1rxq YFIT

(Bacillus
subtilis) 		PF12867
(DinB_2) 		4 LEU A 156
HIS A  67
TYR A  93
GLU A  95
 None
NI  A 300 (-3.3A)
None
NI  A 300 ( 4.1A)
 0.86A 4pahA-1rxqA:
undetectable		 4pahA-1rxqA:
20.13
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		4 LEU A  97
HIS A 219
HIS A 301
GLU A 387
 None
FE2  A 500 (-3.3A)
FE2  A 500 (-3.4A)
FE2  A 500 (-2.7A)
 1.01A 4pahA-1sp8A:
undetectable		 4pahA-1sp8A:
18.68
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.
1u9c APC35852

(Geobacillus
stearothermophilus) 		PF01965
(DJ-1_PfpI) 		4 LEU A  54
PHE A  28
HIS A  75
TYR A  32
 None
 1.14A 4pahA-1u9cA:
undetectable		 4pahA-1u9cA:
20.12
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.
1ujn DEHYDROQUINATE
SYNTHASE

(Thermus
thermophilus) 		PF01761
(DHQ_synthase) 		4 LEU A 277
HIS A 247
HIS A 231
GLU A 173
 None
 1.12A 4pahA-1ujnA:
undetectable		 4pahA-1ujnA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ujn DEHYDROQUINATE
SYNTHASE

(Thermus
thermophilus) 		PF01761
(DHQ_synthase) 		4 LEU A 281
HIS A 247
HIS A 231
GLU A 173
 None
 0.87A 4pahA-1ujnA:
undetectable		 4pahA-1ujnA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		4 LEU 1 550
HIS 1 469
TYR 1 607
GLU 1 498
 ASP  1 704 ( 4.7A)
ZN  1 700 (-3.2A)
LYS  1 701 (-4.1A)
ZN  1 700 ( 2.2A)
 1.03A 4pahA-1y791:
undetectable		 4pahA-1y791:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 LEU A 259
HIS A 215
HIS A 211
GLU A 250
 None
ZN  A 422 ( 3.3A)
ZN  A 422 ( 3.3A)
ZN  A 422 ( 2.4A)
 1.10A 4pahA-1zl6A:
undetectable		 4pahA-1zl6A:
22.20
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.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF01229
(Glyco_hydro_39) 		4 PHE A 336
HIS A  54
TYR A 230
GLU A 278
 None
 1.13A 4pahA-2bs9A:
undetectable		 4pahA-2bs9A:
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.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		4 LEU A  58
HIS A 135
HIS A 117
TYR A 200
 None
None
None
MG  A 506 (-4.3A)
 0.85A 4pahA-2dqbA:
undetectable		 4pahA-2dqbA:
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.
2fct SYRINGOMYCIN
BIOSYNTHESIS ENZYME
2

(Pseudomonas
syringae) 		PF05721
(PhyH) 		4 LEU A 203
PHE A 195
TYR A 272
GLU A 271
 None
 0.99A 4pahA-2fctA:
undetectable		 4pahA-2fctA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gc1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Pyrococcus
furiosus) 		PF06560
(GPI) 		4 HIS A  90
HIS A 136
TYR A  99
GLU A  97
 ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.3A)
S6P  A 502 (-4.8A)
ZN  A 401 ( 2.5A)
 0.98A 4pahA-2gc1A:
undetectable		 4pahA-2gc1A:
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.
2h2w HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Thermotoga
maritima) 		PF04204
(HTS) 		4 LEU A 210
PHE A 230
TYR A 153
GLU A 206
 None
 0.94A 4pahA-2h2wA:
undetectable		 4pahA-2h2wA:
20.57
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.
2mhr MYOHEMERYTHRIN

(Themiste
hennahi) 		PF01814
(Hemerythrin) 		4 HIS A  54
HIS A  25
TYR A 114
GLU A  58
 FEO  A 119 ( 3.3A)
FEO  A 119 ( 3.4A)
None
FEO  A 119 (-2.5A)
 1.10A 4pahA-2mhrA:
undetectable		 4pahA-2mhrA:
16.23
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		4 HIS A 478
HIS A 474
TYR A 613
GLU A 503
 ZN  A 679 (-3.3A)
ZN  A 679 (-3.4A)
None
ZN  A 679 (-2.1A)
 0.82A 4pahA-2o3eA:
undetectable		 4pahA-2o3eA:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		4 HIS A 331
HIS A 336
TYR A 371
GLU A 376
 FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
MTY  A 300 (-3.9A)
FE  A 501 (-2.1A)
 0.53A 4pahA-2tohA:
48.1		 4pahA-2tohA:
62.22
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.
2v28 PHENYLALANINE-4-HYDR
OXYLASE

(Colwellia
psychrerythraea) 		PF00351
(Biopterin_H) 		4 HIS A 122
HIS A 127
TYR A 162
GLU A 167
 None
 0.64A 4pahA-2v28A:
28.1		 4pahA-2v28A:
29.34
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 PHE A 295
HIS A 223
HIS A  63
GLU A 136
 None
FE  A1398 (-3.3A)
FE  A1397 (-3.3A)
FE  A1397 ( 2.6A)
 1.11A 4pahA-2vhlA:
undetectable		 4pahA-2vhlA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		4 LEU A  92
HIS A 101
HIS A 147
GLU A 108
 None
MN  A1005 (-3.3A)
MN  A1005 (-3.5A)
MN  A1005 (-2.5A)
 1.13A 4pahA-2vqaA:
undetectable		 4pahA-2vqaA:
21.60
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.
2vqx METALLOPROTEINASE

(Serratia
proteamaculans) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
PF16485
(PLN_propep) 		4 HIS A 162
HIS A 166
TYR A 177
GLU A 186
 ZN  A1342 (-3.4A)
ZN  A1342 (-3.3A)
None
ZN  A1342 (-2.4A)
 0.84A 4pahA-2vqxA:
undetectable		 4pahA-2vqxA:
23.34
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.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB

(Streptococcus
pneumoniae) 		no annotation 4 LEU A 122
HIS A 136
TYR A  82
GLU A 108
 None
MN  A1245 ( 3.5A)
None
MN  A1245 ( 2.6A)
 1.14A 4pahA-2wjfA:
undetectable		 4pahA-2wjfA:
23.73
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 LEU A 436
HIS A 344
HIS A 340
GLU A 363
 None
ZN  A1673 (-3.5A)
ZN  A1673 (-3.3A)
ZN  A1673 (-2.2A)
 0.92A 4pahA-2xpzA:
undetectable		 4pahA-2xpzA:
18.43
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		4 LEU A  45
HIS A   9
HIS A   7
GLU A  64
 None
 0.97A 4pahA-2yb4A:
undetectable		 4pahA-2yb4A:
23.43
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 445
HIS A 357
HIS A 353
GLU A 376
 None
BES  A1950 ( 3.3A)
ZN  A1946 ( 3.3A)
ZN  A1946 ( 2.1A)
 0.99A 4pahA-2yd0A:
undetectable		 4pahA-2yd0A:
15.70
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		4 HIS A 204
HIS A  97
TYR A 445
GLU A 411
 ZN  A 647 (-3.3A)
ZN  A 647 (-3.4A)
None
ZN  A 647 (-2.0A)
 0.92A 4pahA-2zwsA:
undetectable		 4pahA-2zwsA:
20.75
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT
C,LINKER,GLUTAMATE--
TRNA LIGASE 2

(Thermotoga
maritima;
synthetic
construct) 		PF00749
(tRNA-synt_1c)
PF02686
(Glu-tRNAGln) 		4 LEU C 381
HIS C 140
TYR C 450
GLU C 369
 None
 1.10A 4pahA-3al0C:
undetectable		 4pahA-3al0C:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 LEU A 567
HIS A 549
TYR A 153
GLU A 585
 None
 0.88A 4pahA-3b9eA:
undetectable		 4pahA-3b9eA:
19.93
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.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		4 LEU A 172
HIS A 101
HIS A 231
GLU A 175
 None
 1.12A 4pahA-3bzjA:
undetectable		 4pahA-3bzjA:
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 LEU A 417
HIS A 328
HIS A 324
GLU A 347
 None
ZN  A 701 (-3.8A)
ZN  A 701 (-4.1A)
ZN  A 701 (-3.4A)
 1.00A 4pahA-3ciaA:
undetectable		 4pahA-3ciaA:
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.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		4 LEU A 634
HIS A 465
HIS A 460
GLU A 517
 None
ZN  A 712 (-3.3A)
ZN  A 712 (-3.3A)
ZN  A 712 (-2.3A)
 0.97A 4pahA-3cskA:
undetectable		 4pahA-3cskA:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		4 PHE A  89
HIS A  19
HIS A  17
GLU A  74
 None
FE  A 303 ( 3.5A)
FE  A 303 (-3.3A)
FE  A 303 (-2.5A)
 0.91A 4pahA-3e0fA:
undetectable		 4pahA-3e0fA:
22.19
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.
3gn6 CT0912, ORFAN
PROTEIN WITH A
FERREDOXIN-LIKE
DOMAIN REPEAT

(Chlorobaculum
tepidum) 		no annotation 4 LEU A 222
HIS A 286
HIS A 282
GLU A 308
 None
MG  A 321 ( 3.3A)
MG  A 321 (-3.3A)
MG  A 321 (-1.8A)
 1.05A 4pahA-3gn6A:
undetectable		 4pahA-3gn6A:
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.
3h7k AGMATINE DEIMINASE

(Arabidopsis
thaliana) 		PF04371
(PAD_porph) 		4 LEU A 339
HIS A 365
HIS A 167
GLU A  18
 None
AGT  A 366 ( 4.8A)
None
None
 1.06A 4pahA-3h7kA:
undetectable		 4pahA-3h7kA:
22.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 PHE A 241
HIS A 272
HIS A 277
TYR A 312
GLU A 317
 None
FE  A 400 ( 3.3A)
FE  A 400 (-3.2A)
None
FE  A 400 ( 1.9A)
 0.54A 4pahA-3hf8A:
41.9		 4pahA-3hf8A:
66.21
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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		4 LEU A 214
HIS A 154
TYR A 257
GLU A 267
 None
FE  A 310 (-3.3A)
None
FE  A 310 (-2.8A)
 0.84A 4pahA-3hq0A:
undetectable		 4pahA-3hq0A:
25.91
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.
3i7d SUGAR PHOSPHATE
ISOMERASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		4 LEU A  49
HIS A  59
HIS A 102
GLU A  66
 None
CAC  A 164 (-3.5A)
ACT  A 165 (-3.7A)
ACT  A 165 (-3.8A)
 1.09A 4pahA-3i7dA:
undetectable		 4pahA-3i7dA:
18.83
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.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN

(Rhodobacter
sphaeroides) 		PF02126
(PTE) 		4 HIS A  32
HIS A  34
TYR A 134
GLU A 175
 ZN  A 400 (-3.3A)
ZN  A 400 (-3.3A)
DTV  A 402 ( 4.4A)
ZN  A 401 ( 2.6A)
 1.08A 4pahA-3k2gA:
undetectable		 4pahA-3k2gA:
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.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		4 LEU A 215
HIS A 155
TYR A 258
GLU A 268
 None
FE  A 400 ( 3.5A)
None
FE  A 400 (-2.7A)
 0.82A 4pahA-3lm4A:
undetectable		 4pahA-3lm4A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 345
HIS A 349
TYR A 360
GLU A 369
 ZN  A   1 (-3.2A)
ZN  A   1 (-3.2A)
None
ZN  A   1 (-2.3A)
 0.91A 4pahA-3nqxA:
undetectable		 4pahA-3nqxA:
18.62
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.
3qm3 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Campylobacter
jejuni) 		PF01116
(F_bP_aldolase) 		4 LEU A 166
HIS A 105
HIS A 260
GLU A 169
 None
ZN  A 355 (-3.2A)
ZN  A 355 (-3.2A)
ZN  A 355 (-1.9A)
 1.02A 4pahA-3qm3A:
undetectable		 4pahA-3qm3A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qm3 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Campylobacter
jejuni) 		PF01116
(F_bP_aldolase) 		4 LEU A 236
HIS A 260
HIS A 221
GLU A 169
 None
ZN  A 355 (-3.2A)
ZN  A 355 (-3.2A)
ZN  A 355 (-1.9A)
 0.98A 4pahA-3qm3A:
undetectable		 4pahA-3qm3A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		4 LEU A  30
HIS A 229
HIS A  23
GLU A 166
 UNL  A 374 ( 3.6A)
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
ZN  A 368 (-2.5A)
 0.98A 4pahA-3rhgA:
undetectable		 4pahA-3rhgA:
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.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		4 LEU A 297
HIS A 229
HIS A  23
GLU A 166
 None
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
ZN  A 368 (-2.5A)
 0.96A 4pahA-3rhgA:
undetectable		 4pahA-3rhgA:
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.
3sdp IRON SUPEROXIDE
DISMUTASE

(Pseudomonas
putida) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 LEU A 169
HIS A 160
HIS A  26
TYR A  77
 None
FE  A 196 ( 3.5A)
FE  A 196 ( 3.7A)
None
 0.88A 4pahA-3sdpA:
undetectable		 4pahA-3sdpA:
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.
3sjn MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 298
HIS A 301
TYR A 137
GLU A 326
 None
MG  A 374 ( 4.9A)
None
None
 1.09A 4pahA-3sjnA:
undetectable		 4pahA-3sjnA:
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 4 LEU A 518
HIS A 360
HIS A 356
GLU A 384
 None
ZN  A 568 ( 3.3A)
ZN  A 568 ( 3.3A)
ZN  A 568 ( 2.0A)
 0.80A 4pahA-3sksA:
undetectable		 4pahA-3sksA:
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.
3sm3 SAM-DEPENDENT
METHYLTRANSFERASES

(Methanosarcina
mazei) 		PF08241
(Methyltransf_11) 		4 LEU A 139
PHE A 220
HIS A 183
GLU A 189
 None
 0.88A 4pahA-3sm3A:
undetectable		 4pahA-3sm3A:
20.74
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.
3tgn ADC OPERON REPRESSOR
ADCR

(Streptococcus
pneumoniae) 		PF01047
(MarR) 		4 LEU A  57
HIS A 108
HIS A 112
GLU A  24
 None
ZN  A 147 (-3.2A)
ZN  A 147 (-3.2A)
ZN  A 147 (-2.1A)
 0.93A 4pahA-3tgnA:
undetectable		 4pahA-3tgnA:
16.88
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.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 LEU A1390
HIS A1299
HIS A1295
GLU A1318
 None
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
 0.95A 4pahA-3u9wA:
undetectable		 4pahA-3u9wA:
19.02
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 LEU A 531
HIS A 497
HIS A 493
GLU A 560
 None
ZN  A1664 (-3.1A)
ZN  A1664 ( 3.4A)
ZN  A1664 ( 2.3A)
 1.13A 4pahA-3zukA:
undetectable		 4pahA-3zukA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b29 DIMETHYLSULFONIOPROP
IONATE LYASE

(Roseovarius
nubinhibens) 		PF16867
(DMSP_lyase) 		4 HIS A 129
HIS A 168
TYR A 135
GLU A 133
 ZN  A1205 ( 3.2A)
ZN  A1205 ( 3.2A)
EDO  A1201 ( 4.1A)
ZN  A1205 ( 2.3A)
 1.02A 4pahA-4b29A:
undetectable		 4pahA-4b29A:
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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		4 PHE A  91
HIS A 122
HIS A 127
GLU A 167
 PEG  A1260 (-3.8A)
None
None
PEG  A1261 (-3.1A)
 0.80A 4pahA-4bptA:
28.4		 4pahA-4bptA:
29.32
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 LEU A 387
HIS A 296
HIS A 292
GLU A 315
 None
ZN  A 701 ( 3.4A)
ZN  A 701 ( 3.2A)
ZN  A 701 ( 1.7A)
 0.91A 4pahA-4gaaA:
undetectable		 4pahA-4gaaA:
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.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		4 LEU A 309
HIS A  81
TYR A 396
GLU A 384
 None
 0.88A 4pahA-4k7cA:
undetectable		 4pahA-4k7cA:
22.52
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 486
HIS A 397
HIS A 393
GLU A 416
 None
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.3A)
ZN  A1001 ( 2.4A)
 1.00A 4pahA-4kxbA:
undetectable		 4pahA-4kxbA:
17.03
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.
4l5n EARLY PROTEIN GP1B
URACIL-DNA
GLYCOSYLASE

(Bacillus virus
phi29;
Human
alphaherpesvirus
1) 		PF03167
(UDG)
no annotation 		4 HIS A  91
HIS A  92
TYR C  24
GLU C  26
 None
 1.02A 4pahA-4l5nA:
undetectable		 4pahA-4l5nA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l5n EARLY PROTEIN GP1B
URACIL-DNA
GLYCOSYLASE

(Bacillus virus
phi29;
Human
alphaherpesvirus
1) 		PF03167
(UDG)
no annotation 		4 LEU C  50
HIS A  91
HIS A  92
TYR C  24
 None
 1.10A 4pahA-4l5nC:
undetectable		 4pahA-4l5nC:
10.78
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		4 LEU A 225
HIS A 139
HIS A 137
GLU A 236
 None
MG  A 301 ( 3.7A)
MG  A 301 ( 3.2A)
MG  A 301 (-1.9A)
 0.94A 4pahA-4ml9A:
undetectable		 4pahA-4ml9A:
21.34
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.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 LEU A 647
PHE A 664
TYR A 701
GLU A 702
 None
 1.09A 4pahA-4ncnA:
undetectable		 4pahA-4ncnA:
21.56
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.
4p53 CYCLASE

(Streptomyces
hygroscopicus) 		PF01761
(DHQ_synthase) 		4 LEU A 267
HIS A 284
HIS A 300
GLU A 213
 None
ZN  A 501 (-3.3A)
ZN  A 501 (-3.1A)
ZN  A 501 (-2.6A)
 0.98A 4pahA-4p53A:
undetectable		 4pahA-4p53A:
21.77
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.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 556
HIS A 468
HIS A 464
GLU A 487
 None
ZN  A1101 (-3.2A)
ZN  A1101 ( 3.2A)
ZN  A1101 ( 1.9A)
 0.89A 4pahA-4pj6A:
undetectable		 4pahA-4pj6A:
17.36
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.
4q29 PLU4264 PROTEIN

(Photorhabdus
laumondii) 		PF07883
(Cupin_2) 		4 PHE A 102
HIS A  50
HIS A  90
GLU A  56
 None
NI  A 201 (-3.3A)
NI  A 201 (-3.2A)
NI  A 201 (-2.5A)
 1.06A 4pahA-4q29A:
undetectable		 4pahA-4q29A:
18.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4v06 TRYPTOPHAN
5-HYDROXYLASE 2

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 PHE A 287
HIS A 318
HIS A 323
TYR A 358
GLU A 363
 IMD  A 600 ( 4.4A)
FE  A1491 ( 3.5A)
FE  A1491 ( 3.3A)
None
FE  A1491 ( 2.0A)
 0.48A 4pahA-4v06A:
47.9		 4pahA-4v06A:
64.56
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.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		4 HIS A 303
HIS A 194
TYR A 576
GLU A 540
 ZN  A 801 ( 3.2A)
ZN  A 801 ( 3.3A)
None
ZN  A 801 ( 2.0A)
 0.94A 4pahA-4wgkA:
undetectable		 4pahA-4wgkA:
17.94
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 459
HIS A 370
HIS A 366
GLU A 389
 None
ZN  A1001 (-3.2A)
ZN  A1001 (-3.3A)
ZN  A1001 (-2.4A)
 0.94A 4pahA-4wz9A:
undetectable		 4pahA-4wz9A:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 142
HIS A 146
TYR A 157
GLU A 166
 ZN  A1317 (-3.2A)
ZN  A1317 (-3.2A)
None
ZN  A1317 (-2.3A)
 0.86A 4pahA-5a3yA:
undetectable		 4pahA-5a3yA:
19.07
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 LEU A 271
HIS A 146
HIS A 142
GLU A 166
 None
ZN  A1317 (-3.2A)
ZN  A1317 (-3.2A)
ZN  A1317 (-2.3A)
 1.03A 4pahA-5a3yA:
undetectable		 4pahA-5a3yA:
19.07
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.
5ahr DNA CROSS-LINK
REPAIR 1A PROTEIN

(Homo sapiens) 		PF07522
(DRMBL)
PF12706
(Lactamase_B_2) 		4 LEU A 911
HIS A 734
HIS A 793
GLU A 993
 None
ZN  A2041 (-3.1A)
ZN  A2041 (-3.4A)
None
 1.05A 4pahA-5ahrA:
undetectable		 4pahA-5ahrA:
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.
5cu1 DMSP LYASE

(Ruegeria
pomeroyi) 		PF16867
(DMSP_lyase) 		4 HIS A 130
HIS A 169
TYR A 136
GLU A 134
 FE  A 301 (-3.6A)
FE  A 301 (-3.4A)
None
FE  A 301 (-2.1A)
 1.09A 4pahA-5cu1A:
undetectable		 4pahA-5cu1A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		4 LEU A 625
HIS A 455
HIS A 450
GLU A 508
 None
ZN  A 801 (-3.3A)
ZN  A 801 (-3.2A)
ZN  A 801 (-2.2A)
 0.85A 4pahA-5e3cA:
undetectable		 4pahA-5e3cA:
17.29
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 142
HIS A 146
TYR A 157
GLU A 166
 ZN  A1317 (-3.2A)
ZN  A1317 (-3.3A)
None
ZN  A1317 (-2.2A)
 0.85A 4pahA-5fxnA:
undetectable		 4pahA-5fxnA:
20.23
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 LEU A 271
HIS A 146
HIS A 142
GLU A 166
 None
ZN  A1317 (-3.3A)
ZN  A1317 (-3.2A)
ZN  A1317 (-2.2A)
 1.03A 4pahA-5fxnA:
undetectable		 4pahA-5fxnA:
20.23
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		4 PHE A 597
HIS A 443
TYR A 588
GLU A 599
 None
MG  A 702 (-3.3A)
None
MG  A 702 (-2.5A)
 1.04A 4pahA-5hmqA:
undetectable		 4pahA-5hmqA:
18.21
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.
5hrm HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 4 LEU A 347
HIS A 258
HIS A 317
GLU A 201
 None
MN  A 602 (-3.2A)
MN  A 602 (-3.2A)
MN  A 602 ( 2.5A)
 0.98A 4pahA-5hrmA:
undetectable		 4pahA-5hrmA:
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 LEU A 176
HIS A 247
HIS A 248
GLU A 290
 None
 0.90A 4pahA-5im3A:
undetectable		 4pahA-5im3A:
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 462
HIS A 374
HIS A 370
GLU A 393
 None
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 1.7A)
 0.99A 4pahA-5j6sA:
undetectable		 4pahA-5j6sA:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jk6 PHENYLALANINE-4-HYDR
OXYLASE

(Dictyostelium
discoideum) 		PF00351
(Biopterin_H) 		5 LEU A 236
PHE A 242
HIS A 273
TYR A 313
GLU A 318
 None
None
FE  A 502 (-3.2A)
None
FE  A 502 (-2.1A)
 0.80A 4pahA-5jk6A:
47.9		 4pahA-5jk6A:
48.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jk6 PHENYLALANINE-4-HYDR
OXYLASE

(Dictyostelium
discoideum) 		PF00351
(Biopterin_H) 		5 PHE A 242
HIS A 273
HIS A 278
TYR A 313
GLU A 318
 None
FE  A 502 (-3.2A)
FE  A 502 (-3.2A)
None
FE  A 502 (-2.1A)
 0.39A 4pahA-5jk6A:
47.9		 4pahA-5jk6A:
48.04
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.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 LEU A  94
HIS A 362
TYR A 569
GLU A 568
 None
 1.13A 4pahA-5kbpA:
undetectable		 4pahA-5kbpA:
15.88
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.
5kd5 METALLOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		4 HIS A 574
HIS A 578
TYR A 723
GLU A 591
 ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.2A)
None
ZN  A 901 ( 2.3A)
 0.94A 4pahA-5kd5A:
undetectable		 4pahA-5kd5A:
19.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l01 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 PHE A 241
HIS A 272
HIS A 277
TYR A 312
GLU A 317
 6Z4  A 502 ( 4.8A)
FE  A 501 ( 3.2A)
FE  A 501 (-3.3A)
6Z4  A 502 ( 4.6A)
FE  A 501 ( 1.8A)
 0.49A 4pahA-5l01A:
43.1		 4pahA-5l01A:
65.91
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.
5o7e COLH PROTEIN

(Hathewaya
histolytica) 		no annotation 4 HIS A 455
HIS A 459
TYR A 531
GLU A 487
 ZN  A 801 ( 3.3A)
9NB  A 803 ( 3.2A)
None
ZN  A 801 ( 2.3A)
 1.14A 4pahA-5o7eA:
undetectable		 4pahA-5o7eA:
13.96
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.
5tfz DIMETHYLSULFONIOPROP
IONATE LYASE DDDK

(Candidatus
Pelagibacter
ubique) 		PF07883
(Cupin_2) 		4 HIS A  58
HIS A  96
TYR A  64
GLU A  62
 NI  A 201 ( 3.3A)
NI  A 201 ( 3.5A)
7BC  A 202 (-4.6A)
7BC  A 202 ( 2.4A)
 0.97A 4pahA-5tfzA:
undetectable		 4pahA-5tfzA:
18.33
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.
5x8g 2-SUCCINYLBENZOATE--
COA LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 386
HIS A 196
TYR A 452
GLU A 392
 None
S0N  A 501 (-4.0A)
None
S0N  A 501 (-4.0A)
 0.84A 4pahA-5x8gA:
undetectable		 4pahA-5x8gA:
22.11
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.
5y4k DMSP LYASE DDDY

(Acinetobacter
bereziniae) 		no annotation 4 HIS A 265
HIS A 338
TYR A 271
GLU A 269
 ZN  A 501 ( 3.3A)
ZN  A 501 ( 3.3A)
AKR  A 502 (-4.7A)
ZN  A 501 ( 2.4A)
 1.04A 4pahA-5y4kA:
undetectable		 4pahA-5y4kA:
21.39
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 4 HIS A 443
HIS A 448
TYR A 313
GLU A 501
 ZN  A 801 (-3.2A)
ZN  A 801 (-3.1A)
None
ZN  A 801 (-2.0A)
 0.98A 4pahA-5yfbA:
undetectable		 4pahA-5yfbA:
13.31
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 4 LEU A 618
HIS A 448
HIS A 443
GLU A 501
 None
ZN  A 801 (-3.1A)
ZN  A 801 (-3.2A)
ZN  A 801 (-2.0A)
 0.93A 4pahA-5yfbA:
undetectable		 4pahA-5yfbA:
13.31
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.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 LEU A 645
PHE A 505
HIS A 577
GLU A 573
 None
 1.14A 4pahA-6fwfA:
undetectable		 4pahA-6fwfA:
12.50