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 T60213 Target Info
Target Name Bone morphogenetic protein receptor (BMPR2)
Synonyms PPH1; Bone morphogenetic protein receptor type-2; Bone morphogenetic protein receptor type II; BMPR-II; BMPR-2; BMP type-2 receptor; BMP type II receptor
Target Type Literature-reported Target
Gene Name BMPR2
Biochemical Class Kinase
UniProt ID
BMPR2_HUMAN
Ligand General Information  Top
Ligand Name adenosine diphosphate Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
InChI 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey XTWYTFMLZFPYCI-KQYNXXCUSA-N
PubChem Compound ID 6022
Drug Binding Sites of Target  Top
PDB ID: 6UNP      Crystal structure of the kinase domain of BMPR2-D485G
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [1]
PDB Sequence
DLDNLKLLEL
208
IGRGRYGAVY
218
KGSLDERPVA
228
VKVFSFANRQ
238
NFINEKNIYR
248

VPLMEHDNIA
258
RFIVGDERVT
268
ADGRMEYLLV
278
MEYYPNGSLK
289
YLSLHTSDWV
299

SSCRLAHSVT
309
RGLAYLHTEL
319
PRGDHYKPAI
329
SHRDLNSRNV
339
LVKNDGTCVI
349

SDFGLSMRLT
359
GNRLVRPEVG
378
TIRYMAPEVL
388
EGAVNLRDES
399
ALKQVDMYAL
409

GLIYWEIFMR
419
CTDLFPGESV
429
PEYQMAFQTE
439
VGNHPTFEDM
449
QVLVSREKQR
459

PKFPEAWKEN
469
SLAVRSLKET
479
IEDCWGQDAE
489
ARLTAQAEER
500
MAELMMIWE
Residue
Distance (Å)
ILE209
3.628
GLY210
3.517
ARG211
3.868
GLY212
3.108
ARG213
3.233
TYR214
2.787
GLY215
2.799
VAL217
3.520
ALA228
3.423
LYS230
2.729
GLU243
4.712
MET279
3.314
GLU280
2.821
Residue
Distance (Å)
TYR281
4.077
TYR282
3.106
GLY285
4.139
SER286
3.789
TYR325
4.338
ARG337
2.690
ASN338
2.924
LEU340
3.513
ASP351
2.771
GLY360
3.231
ASN361
3.330
ARG362
2.939
LEU363
3.483
PDB ID: 3G2F      Crystal structure of the kinase domain of bone morphogenetic protein receptor type II (BMPR2) at 2.35 A resolution
Method X-ray diffraction Resolution 2.35 Å Mutation No [2]
PDB Sequence
SLDLDNLKLL
206
ELIGRGRYGA
216
VYKGSLDERP
226
VAVKVFSFAN
236
RQNFINEKNI
246

YRVPLMEHDN
256
IARFIVGDER
266
VTADGRMEYL
276
LVMEYYPNGS
286
LKYLSLHTSD
297

WVSSCRLAHS
307
VTRGLAYLHT
317
ELPRGDHYKP
327
AISHRDLNSR
337
NVLVKNDGTC
347

VISDFGLSMR
357
LTGNRLVISE
376
VGTIRYMAPE
386
VLEGAVNLRD
396
ESALKQVDMY
407

ALGLIYWEIF
417
MRCTDLFPGE
427
SVPEYQMAFQ
437
TEVGNHPTFE
447
DMQVLVSREK
457

QRPKFPEAWK
467
ENSLAVRSLK
477
ETIEDCWDQD
487
AEARLTAQAE
498
ERMAELMMIW
508

ER
Residue
Distance (Å)
ILE209
3.493
GLY210
3.489
ARG211
3.673
GLY212
3.032
ARG213
3.087
TYR214
2.828
GLY215
2.792
VAL217
3.485
ALA228
3.442
LYS230
2.809
GLU243
4.744
Residue
Distance (Å)
MET279
3.519
GLU280
2.822
TYR281
4.034
TYR282
3.194
GLY285
4.262
SER286
3.584
ARG337
2.867
ASN338
3.068
LEU340
3.630
ASP351
2.705
References  Top
REF 1 Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization. Nat Commun. 2021 Aug 16;12(1):4950.
REF 2 Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension. Sci Rep. 2019 Dec 4;9(1):18351.

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