MolNFT v1 · #20440 · protein
Structural refinement of the complex of bone morphogenetic protein 2 and its type ia receptor
1REW: “Structural refinement of the complex of bone morphogenetic protein 2 and its type ia receptor”. X-ray diffraction, 7 pockets (best druggability 0.44). MolNFT v1 #20440 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1REW
- Type
- protein
- Length
- 381 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bone morphogenetic protein 2; Bone morphogenetic protein receptor type ia
- EC
- 2.7.1.37
- UniProt
- P12643, P36894
- Pockets
- 7 · best druggability 0.44
Structure
x-ray diffraction · 3 distinct chains · 13% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bone morphogenetic protein 2 | protein | 103 | 18% helix, 46% strand | P12643 |
| C | Bone morphogenetic protein receptor type ia (EC 2.7.1.37) | protein | 86 | 12% helix, 38% strand | P36894 |
| D | Bone morphogenetic protein receptor type ia (EC 2.7.1.37) | protein | 89 | 7% helix, 37% strand | P36894 |
Pockets
7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.44 | 0.77 | 31 | empty |
| 2 | 97 | 0.41 | 0.78 | 19 | empty |
| 3 | 127 | 0.40 | 0.75 | 26 | empty |
| 4 | 95 | 0.37 | 0.76 | 22 | empty |
| 5 | 100 | 0.37 | 0.75 | 18 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1222 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 910 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 880 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 426 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 415 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
- 1REW · Structural refinement of the complex of bone morphogenetic protein 2 and its type IA… · the same entry in another collection · chain D against D, TM-score 1.00
- P12643 · AlphaFold monomer V2.0 prediction for bone morphogenetic protein 2 (P12643) · a predicted model of the same protein · chain A against A, TM-score 0.96
- P36894 · AlphaFold monomer V2.0 prediction for bone morphogenetic protein receptor type-1A (P36894) · a predicted model of the same protein · chain D against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P12643
- Every structure of UniProt P36894
- Elsewhere: RCSB PDB 1REW · PDBe 1REW · UniProt P12643 · UniProt P36894
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