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MolNFT v1 · #185307 · protein

Ternary signalling complex of BMP10 bound to ALK1 and bmprii

7PPC · Bone morphogenetic protein 10: “Ternary signalling complex of BMP10 bound to ALK1 and bmprii”. X-ray diffraction, 14 pockets (best druggability 0.72). MolNFT v1 #185307 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7PPC
Type
protein
Length
1,049 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bone morphogenetic protein 10; SERINE/THREONINE-protein kinase receptor R3; Bone…
EC
2.7.11.30
UniProt
O95393, P37023, Q13873
Pockets
14 · best druggability 0.72

Structure

x-ray diffraction · 7 distinct chains · 8% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DBone morphogenetic protein 10protein10417% helix, 52% strandO95393
ESERINE/THREONINE-protein kinase receptor R3 (EC 2.7.11.30)protein776% helix, 32% strandP37023
F, G, HSERINE/THREONINE-protein kinase receptor R3 (EC 2.7.11.30)protein767% helix, 37% strandP37023
IBone morphogenetic protein receptor type-2 (EC 2.7.11.30)protein857% helix, 44% strandQ13873
JBone morphogenetic protein receptor type-2 (EC 2.7.11.30)protein784% helix, 32% strandQ13873
KBone morphogenetic protein receptor type-2 (EC 2.7.11.30)protein867% helix, 36% strandQ13873
LBone morphogenetic protein receptor type-2 (EC 2.7.11.30)protein794% helix, 39% strandQ13873

Pockets

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12080.720.8834empty
22000.690.8733empty
32280.690.8532empty
41900.670.8631empty
55210.620.7533empty

Interfaces

17 interfaces between chains.

  • A–B · 1476 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 1453 Ų buried · 10 hydrogen bonds · protein-protein
  • B–J · 956 Ų buried · 5 hydrogen bonds · protein-protein
  • C–K · 882 Ų buried · 3 hydrogen bonds · protein-protein
  • D–L · 861 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 54 disulfide (disulfide).

Compared structures

  • 7PPC · Ternary signalling complex of BMP10 bound to ALK1 and BMPRII · the same entry in another collection · chain L against L, TM-score 1.00

Analyse

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