Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T32880 Target Info
Target Name HIF-prolyl hydroxylase 2 (HPH-2)
Synonyms SM-20; Prolyl hydroxylase domain-containing protein 2; PHD2; Hypoxia-inducible factor prolyl hydroxylase 2; HPH-2; HIF-PH2; Egl nine homolog 1; C1orf12
Target Type Patented-recorded Target
Gene Name EGLN1
Biochemical Class Paired donor oxygen oxidoreductase
UniProt ID
EGLN1_HUMAN
Ligand General Information  Top
Ligand Name 4-(Isoquinolin-3-ylamino)-4-oxobutanoic acid Ligand Info
Canonical SMILES C1=CC=C2C=NC(=CC2=C1)NC(=O)CCC(=O)O
InChI 1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)
InChIKey CJIVLGFQCOFDOG-UHFFFAOYSA-N
PubChem Compound ID 89975828
Drug Binding Sites of Target  Top
PDB ID: 6YVX      HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287
Method X-ray diffraction Resolution 1.80 Å Mutation No [1]
PDB Sequence
NGQTLPALKL
193
ALEYIVPCMN
203
KHGICVVDDF
213
LGKETGQQIG
223
DEVRALHDTG
233

KFTDGQLVSQ
243
DSSKDIRGDK
255
ITWIEGKEPG
265
CETIGLLMSS
275
MDDLIRHCNG
285

KLGSYKINGR
295
TKAMVACYPG
305
NGTGYVRHVD
315
NPNGDGRCVT
325
CIYYLNKDWD
335

AKVSGGILRI
345
FPEGKAQFAD
355
IEPKFDRLLF
365
FWSDRRNPHE
375
VQPAYATRYA
385

ITVWYFDADE
395
RARAKVKYLT
405
GRVEL
Residue
Distance (Å)
ASP254
4.102
ILE256
3.406
TRP258
4.273
MET299
2.604
ALA301
4.651
TYR303
2.362
TYR310
3.185
HIS313
2.549
ASP315
2.546
ARG322
3.537
ILE327
2.174
Residue
Distance (Å)
TYR329
1.832
LEU343
2.568
PRO358
4.871
PHE366
4.437
HIS374
2.685
GLU375
4.849
VAL376
2.070
ARG383
1.916
ALA385
3.358
THR387
4.060
TRP389
3.168
PDB ID: 6YW0      Lysine-N,N-Dimethylated HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with BB-287
Method X-ray diffraction Resolution 2.20 Å Mutation No [1]
PDB Sequence
LPALLALEYI
198
VPCMNHGICV
209
VDDFLGETGQ
220
QIGDEVRALH
230
DTGFTDGQLV
241

SQSDSSDIRG
253
DITWIEGEPG
265
CETIGLLMSS
275
MDDLIRHCNG
285
LGSYINGRTA
298

MVACYPGNGT
308
GYVRHVDNPN
318
GDGRCVTCIY
328
YLNDWDAVSG
340
GILRIFPEGA
351

QFADIEPFDR
362
LLFFWSDRRN
372
PHEVQPAYAT
382
RYAITVWYFD
392
ADERARAVYL
404

TRVEL
Residue
Distance (Å)
ASP254
4.112
ILE256
3.797
MET299
2.860
ALA301
4.670
TYR303
2.422
TYR310
2.911
HIS313
2.480
ASP315
2.400
ARG322
4.030
ILE327
2.387
TYR329
1.687
Residue
Distance (Å)
LEU343
2.599
PRO358
4.955
PHE366
4.354
HIS374
2.620
GLU375
4.819
VAL376
2.235
ARG383
1.799
ALA385
3.298
THR387
4.063
TRP389
3.366
References  Top
REF 1 Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2. Sci Rep. 2020 Dec 15;10(1):21964.

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