MolNFT v1 · #188678 · protein
Crystal structure of the bone morphogenetic protein receptor type 2 ligand binding domain in complex with activin-B
7U5O · Inhibin beta B chain: “Crystal structure of the bone morphogenetic protein receptor type 2 ligand binding domain in complex with…”. X-ray diffraction, 6 pockets (best druggability 0.64). MolNFT v1 #188678 on GenesisL1: 3D structure…
- PDB
- 7U5O
- Type
- protein
- Length
- 587 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inhibin beta B chain; Bone morphogenetic protein receptor type-2
- EC
- 2.7.11.30
- UniProt
- P09529, Q13873
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 6 distinct chains · 9% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inhibin beta B chain | protein | 111 | 13% helix, 44% strand | P09529 |
| B | Inhibin beta B chain | protein | 109 | 13% helix, 47% strand | P09529 |
| C | Inhibin beta B chain | protein | 115 | 12% helix, 43% strand | P09529 |
| E | Bone morphogenetic protein receptor type-2 (EC 2.7.11.30) | protein | 84 | 4% helix, 27% strand | Q13873 |
| F | Bone morphogenetic protein receptor type-2 (EC 2.7.11.30) | protein | 85 | 0% helix, 40% strand | Q13873 |
| G | Bone morphogenetic protein receptor type-2 (EC 2.7.11.30) | protein | 83 | 7% helix, 23% strand | Q13873 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 247 | 0.64 | 0.82 | 35 | empty |
| 2 | 176 | 0.52 | 0.78 | 28 | empty |
| 3 | 139 | 0.50 | 0.79 | 24 | empty |
| 4 | 126 | 0.41 | 0.75 | 18 | empty |
| 5 | 113 | 0.41 | 0.76 | 24 | empty |
Interfaces
6 interfaces between chains.
- A–E · 786 Ų buried · 7 hydrogen bonds · protein-protein
- C–G · 717 Ų buried · 3 hydrogen bonds · protein-protein
- B–F · 561 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 121 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 121 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 27 disulfide (disulfide).
Compared structures
- 7U5O · Crystal structure of the bone morphogenetic protein receptor type 2 ligand binding domain… · the same entry in another collection · chain G against G, TM-score 1.00
- Q13873 · AlphaFold monomer V2.0 prediction for bone morphogenetic protein receptor type-2 (Q13873) · a predicted model of the same protein · chain F against A, TM-score 0.86
- P09529 · AlphaFold monomer V2.0 prediction for inhibin beta B chain (P09529) · a predicted model of the same protein · chain B against A, TM-score 0.81
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 P09529
- Every structure of UniProt Q13873
- Elsewhere: RCSB PDB 7U5O · PDBe 7U5O · UniProt P09529 · UniProt Q13873
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