SIMILAR PATTERNS OF AMINO ACIDS FOR 5PAH_A_LDPA600_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) 		4 HIS A  12
HIS A  14
TYR A  84
GLU A 125
 ZN  A   1 (-3.5A)
ZN  A   1 (-3.4A)
None
ZN  A 293 ( 2.5A)
 1.06A 5pahA-1bf6A:
undetectable		 5pahA-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)
 0.91A 5pahA-1bqbA:
undetectable		 5pahA-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) 		4 HIS A 285
HIS A 290
TYR A 325
GLU A 330
 FE  A 425 (-3.4A)
FE  A 425 (-3.3A)
HBI  A 700 (-3.8A)
FE  A 425 (-2.5A)
 0.13A 5pahA-1dmwA:
53.1		 5pahA-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.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 HIS A 233
HIS A 229
TYR A 372
GLU A 267
 ZN  A 500 (-3.3A)
ZN  A 500 (-3.2A)
None
ZN  A 500 (-2.1A)
 1.30A 5pahA-1f82A:
undetectable		 5pahA-1f82A:
19.54
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.
1g7u 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		4 HIS A 241
HIS A 246
TYR A  69
GLU A  29
 None
 1.44A 5pahA-1g7uA:
undetectable		 5pahA-1g7uA:
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.
1hmd HEMERYTHRIN

(Themiste
dyscritum) 		no annotation 4 HIS A  54
HIS A  25
TYR A 109
GLU A  58
 FEO  A 115 (-3.5A)
FEO  A 115 (-3.3A)
None
FEO  A 115 (-2.5A)
 1.20A 5pahA-1hmdA:
undetectable		 5pahA-1hmdA:
17.97
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.
1ltz PHENYLALANINE-4-HYDR
OXYLASE

(Chromobacterium
violaceum) 		PF00351
(Biopterin_H) 		4 HIS A 138
HIS A 143
TYR A 179
GLU A 184
 FE  A 400 (-3.3A)
FE  A 400 (-3.4A)
HBI  A 500 ( 4.0A)
FE  A 400 (-1.9A)
 0.48A 5pahA-1ltzA:
28.0		 5pahA-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.
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 5pahA-1npcA:
undetectable		 5pahA-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) 		4 HIS A 285
HIS A 290
TYR A 325
GLU A 330
 FE  A 501 ( 3.6A)
FE  A 501 ( 3.7A)
None
FE  A 501 ( 2.8A)
 0.58A 5pahA-1phzA:
47.1		 5pahA-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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 HIS A 690
HIS A 686
TYR A 728
GLU A 735
 ZN  A9001 (-3.3A)
ZN  A9001 (-3.4A)
None
ZN  A9001 (-2.0A)
 1.38A 5pahA-1pwwA:
undetectable		 5pahA-1pwwA:
15.99
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.
1u59 TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 HIS A 473
HIS A 608
TYR A 597
GLU A 440
 None
 1.30A 5pahA-1u59A:
undetectable		 5pahA-1u59A:
21.47
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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 HIS A 233
HIS A 229
TYR A 375
GLU A 269
 ZN  A 500 (-3.3A)
ZN  A 500 (-3.1A)
None
ZN  A 500 (-1.8A)
 1.27A 5pahA-2fpqA:
undetectable		 5pahA-2fpqA:
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		4 HIS A 356
HIS A 360
TYR A 486
GLU A 384
 ZN  A 601 (-3.3A)
ZN  A 601 (-3.3A)
None
ZN  A 601 (-2.2A)
 1.18A 5pahA-2h1nA:
undetectable		 5pahA-2h1nA:
21.29
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.
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 5pahA-2mhrA:
undetectable		 5pahA-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)
 0.80A 5pahA-2o3eA:
undetectable		 5pahA-2o3eA:
20.35
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		4 HIS A  65
HIS A  60
TYR A  38
GLU A  36
 None
 1.22A 5pahA-2pl5A:
undetectable		 5pahA-2pl5A:
19.84
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 5pahA-2tohA:
47.8		 5pahA-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 5pahA-2v28A:
28.0		 5pahA-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.
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)
 0.83A 5pahA-2vqxA:
undetectable		 5pahA-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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		4 HIS A 312
HIS A 310
TYR A 180
GLU A 251
 GDD  A 395 (-3.6A)
GDD  A 395 ( 4.6A)
None
None
 1.29A 5pahA-2zu8A:
undetectable		 5pahA-2zu8A:
22.00
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.
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 5pahA-2zwsA:
undetectable		 5pahA-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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 4 HIS A 356
HIS A 360
TYR A 486
GLU A 384
 ZN  A 565 (-3.4A)
ZN  A 565 (-3.3A)
None
ZN  A 565 (-2.1A)
 1.22A 5pahA-3ahmA:
undetectable		 5pahA-3ahmA:
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.
3cew UNCHARACTERIZED
CUPIN PROTEIN

(Bacteroides
fragilis) 		PF07883
(Cupin_2) 		4 HIS A  45
HIS A  43
TYR A  52
GLU A  50
 ZN  A 201 (-3.4A)
ZN  A 201 (-3.5A)
None
ZN  A 201 (-2.2A)
 1.34A 5pahA-3cewA:
undetectable		 5pahA-3cewA:
17.86
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.
3dse BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 HIS A 227
HIS A 223
TYR A 366
GLU A 262
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.2A)
None
ZN  A 501 (-1.9A)
 1.18A 5pahA-3dseA:
undetectable		 5pahA-3dseA:
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.
3fii BOTULINUM NEUROTOXIN
TYPE F

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 HIS A 231
HIS A 227
TYR A 368
GLU A 266
 ZN  A 822 (-3.4A)
ZN  A 822 ( 3.5A)
00C  B  58 (-4.8A)
ZN  A 822 ( 2.0A)
 1.30A 5pahA-3fiiA:
undetectable		 5pahA-3fiiA:
21.71
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) 		4 HIS A 272
HIS A 277
TYR A 312
GLU A 317
 FE  A 400 ( 3.3A)
FE  A 400 (-3.2A)
None
FE  A 400 ( 1.9A)
 0.45A 5pahA-3hf8A:
41.7		 5pahA-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.
3hl1 FERRITIN LIKE
PROTEIN

(Caulobacter
vibrioides) 		PF12902
(Ferritin-like) 		4 HIS A  56
HIS A 232
TYR A  28
GLU A  53
 UNL  A 317 (-4.2A)
UNL  A 317 (-4.3A)
None
UNL  A 317 (-3.1A)
 1.41A 5pahA-3hl1A:
undetectable		 5pahA-3hl1A:
19.53
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.
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)
 1.07A 5pahA-3k2gA:
undetectable		 5pahA-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.
3qhb SYMERYTHRIN

(Cyanophora
paradoxa) 		PF02915
(Rubrerythrin) 		4 HIS A  74
HIS A 165
TYR A  45
GLU A  71
 None
FE  A 182 (-3.3A)
None
FE  A 182 ( 2.5A)
 1.37A 5pahA-3qhbA:
undetectable		 5pahA-3qhbA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 HIS A 129
HIS A 133
TYR A1049
GLU A 243
 ZN  A1194 (-4.1A)
ZN  A1194 (-4.0A)
None
ZN  A1194 (-2.0A)
 1.44A 5pahA-3s5kA:
undetectable		 5pahA-3s5kA:
13.30
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.
3vnk XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

([Clostridium]
cellulolyticum) 		PF01261
(AP_endonuc_2) 		4 HIS A 207
HIS A 209
TYR A   6
GLU A  34
 None
MN  A 302 ( 3.2A)
FUD  A 301 (-4.6A)
None
 1.19A 5pahA-3vnkA:
undetectable		 5pahA-3vnkA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ww3 L-RIBOSE ISOMERASE

(Cellulomonas
parahominis) 		no annotation 4 HIS A 106
HIS A 188
TYR A 115
GLU A 113
 MN  A 401 (-3.4A)
MN  A 401 (-3.5A)
None
MN  A 401 (-2.5A)
 1.31A 5pahA-3ww3A:
undetectable		 5pahA-3ww3A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ww3 L-RIBOSE ISOMERASE

(Cellulomonas
parahominis) 		no annotation 4 HIS A 108
HIS A 188
TYR A 115
GLU A 113
 MN  A 401 (-3.3A)
MN  A 401 (-3.5A)
None
MN  A 401 (-2.5A)
 1.16A 5pahA-3ww3A:
undetectable		 5pahA-3ww3A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.01A 5pahA-4b29A:
undetectable		 5pahA-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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 HIS A 277
HIS A 273
TYR A 377
GLU A 307
 ZN  A 602 ( 3.2A)
ZN  A 602 ( 3.4A)
MAE  A 601 (-4.7A)
ZN  A 602 ( 2.3A)
 1.49A 5pahA-4fgmA:
undetectable		 5pahA-4fgmA:
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 HIS A 296
HIS A 292
TYR A 380
GLU A 315
 ZN  A 701 ( 3.4A)
ZN  A 701 ( 3.2A)
BES  A 702 (-4.3A)
ZN  A 701 ( 1.7A)
 1.40A 5pahA-4gaaA:
undetectable		 5pahA-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.
4j1l TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27) 		4 HIS A 237
HIS A 233
TYR A 375
GLU A 271
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.5A)
None
ZN  A 501 (-1.9A)
 1.24A 5pahA-4j1lA:
undetectable		 5pahA-4j1lA:
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 HIS A 500
HIS A 496
TYR A 580
GLU A 519
 ZN  A1102 ( 3.2A)
ZN  A1102 ( 3.2A)
ARG  A1101 (-4.5A)
ZN  A1102 ( 2.1A)
 1.43A 5pahA-4j3bA:
undetectable		 5pahA-4j3bA:
16.52
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.
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
 1.03A 5pahA-4l5nA:
undetectable		 5pahA-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.
4pkv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 HIS A 690
HIS A 686
TYR A 728
GLU A 735
 ZN  A 802 ( 3.4A)
ZN  A 802 ( 3.6A)
30R  A 801 (-3.4A)
ZN  A 802 ( 2.5A)
 1.41A 5pahA-4pkvA:
undetectable		 5pahA-4pkvA:
18.23
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.
4q0s L-RIBOSE ISOMERASE

(Acinetobacter
sp. DL-28) 		no annotation 4 HIS A 106
HIS A 188
TYR A 115
GLU A 113
 CO  A 501 ( 3.5A)
CO  A 501 ( 3.5A)
None
CO  A 501 ( 2.4A)
 1.27A 5pahA-4q0sA:
undetectable		 5pahA-4q0sA:
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.
4q0s L-RIBOSE ISOMERASE

(Acinetobacter
sp. DL-28) 		no annotation 4 HIS A 108
HIS A 188
TYR A 115
GLU A 113
 CO  A 501 ( 3.3A)
CO  A 501 ( 3.5A)
None
CO  A 501 ( 2.4A)
 1.17A 5pahA-4q0sA:
undetectable		 5pahA-4q0sA:
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 HIS A 297
HIS A 293
TYR A 377
GLU A 316
 ZN  A 908 ( 3.2A)
37B  A 901 ( 3.2A)
GOL  A 910 ( 2.6A)
ZN  A 908 ( 2.0A)
 1.41A 5pahA-4qmeA:
undetectable		 5pahA-4qmeA:
16.55
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) 		4 HIS A 318
HIS A 323
TYR A 358
GLU A 363
 FE  A1491 ( 3.5A)
FE  A1491 ( 3.3A)
None
FE  A1491 ( 2.0A)
 0.53A 5pahA-4v06A:
47.7		 5pahA-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 5pahA-4wgkA:
undetectable		 5pahA-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.
4zxc HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Pseudomonas sp.
WBC-3) 		no annotation 4 HIS W 303
HIS W 256
TYR W  80
GLU W 262
 FE  W 500 (-3.1A)
FE  W 500 (-3.1A)
None
FE  W 500 (-2.1A)
 1.46A 5pahA-4zxcW:
undetectable		 5pahA-4zxcW:
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.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		4 HIS A 192
HIS A 129
TYR A 544
GLU A 150
 MN  A 601 ( 3.3A)
MN  A 601 (-3.3A)
None
MN  A 601 (-2.4A)
 1.38A 5pahA-5a29A:
undetectable		 5pahA-5a29A:
19.65
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.
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)
 0.88A 5pahA-5a3yA:
undetectable		 5pahA-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.
5avp L-RIBOSE ISOMERASE

(Geodermatophilus
obscurus) 		no annotation 4 HIS A 110
HIS A 192
TYR A 119
GLU A 117
 MN  A 401 (-3.4A)
MN  A 401 (-3.5A)
None
MN  A 401 (-2.3A)
 1.25A 5pahA-5avpA:
undetectable		 5pahA-5avpA:
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.
5avp L-RIBOSE ISOMERASE

(Geodermatophilus
obscurus) 		no annotation 4 HIS A 112
HIS A 192
TYR A 119
GLU A 117
 MN  A 401 (-3.5A)
MN  A 401 (-3.5A)
None
MN  A 401 (-2.3A)
 1.16A 5pahA-5avpA:
undetectable		 5pahA-5avpA:
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.
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 5pahA-5cu1A:
undetectable		 5pahA-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.
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)
 0.86A 5pahA-5fxnA:
undetectable		 5pahA-5fxnA:
20.23
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) 		4 HIS A 273
HIS A 278
TYR A 313
GLU A 318
 FE  A 502 (-3.2A)
FE  A 502 (-3.2A)
None
FE  A 502 (-2.1A)
 0.39A 5pahA-5jk6A:
47.5		 5pahA-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.
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)
 0.91A 5pahA-5kd5A:
undetectable		 5pahA-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) 		4 HIS A 272
HIS A 277
TYR A 312
GLU A 317
 FE  A 501 ( 3.2A)
FE  A 501 (-3.3A)
6Z4  A 502 ( 4.6A)
FE  A 501 ( 1.8A)
 0.44A 5pahA-5l01A:
42.9		 5pahA-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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 HIS B 403
HIS B 220
TYR B 327
GLU B 450
 None
 1.18A 5pahA-5nd1B:
undetectable		 5pahA-5nd1B:
15.41
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.
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)
 1.10A 5pahA-5o7eA:
undetectable		 5pahA-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.
5o7e COLH PROTEIN

(Hathewaya
histolytica) 		no annotation 4 HIS A 459
HIS A 455
TYR A 538
GLU A 487
 9NB  A 803 ( 3.2A)
ZN  A 801 ( 3.3A)
None
ZN  A 801 ( 2.3A)
 1.49A 5pahA-5o7eA:
undetectable		 5pahA-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)
 0.98A 5pahA-5tfzA:
undetectable		 5pahA-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.
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)
 1.03A 5pahA-5y4kA:
undetectable		 5pahA-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)
 0.96A 5pahA-5yfbA:
undetectable		 5pahA-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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 4 HIS A 387
HIS A 383
TYR A 472
GLU A 406
 ZN  A1035 (-3.2A)
ZN  A1035 (-3.2A)
SO4  A1032 ( 4.1A)
ZN  A1035 ( 2.2A)
 1.40A 5pahA-6bv2A:
undetectable		 5pahA-6bv2A:
15.10
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 4 HIS A 230
HIS A 226
TYR A 366
GLU A 264
 ZN  A 503 (-3.3A)
ZN  A 503 ( 3.3A)
None
ZN  A 503 ( 2.6A)
 1.45A 5pahA-6bvdA:
undetectable		 5pahA-6bvdA:
13.64
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.
6f4e CATALYTIC DOMAIN OF
BOTULINUM NEUROTOXIN
X

(Clostridium
botulinum) 		no annotation 4 HIS A 231
HIS A 227
TYR A 363
GLU A 266
 None
 1.36A 5pahA-6f4eA:
undetectable		 5pahA-6f4eA:
13.81