MolNFT v1 · #186401 · protein
Crystal structure of human TGF-beta-2 bound to 4A11.V2 Fab
7RCO · Transforming growth factor beta-2: “Crystal structure of human TGF-beta-2 bound to 4A11.V2 Fab”. X-ray diffraction, 14 pockets (best druggability 0.71). MolNFT v1 #186401 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RCO
- Type
- protein
- Length
- 1,076 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transforming growth factor beta-2; 4A11.V2 Fab light chain; 4A11.V2 Fab heavy chain
- UniProt
- P61812
- Pockets
- 14 · best druggability 0.71
Structure
x-ray diffraction · 5 distinct chains · 10% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transforming growth factor beta-2 | protein | 111 | 21% helix, 34% strand | P61812 |
| B | Transforming growth factor beta-2 | protein | 112 | 19% helix, 43% strand | P61812 |
| C | 4A11.V2 Fab light chain | protein | 217 | 7% helix, 52% strand | — |
| D, F | 4A11.V2 Fab heavy chain | protein | 216 | 7% helix, 50% strand | — |
| E | 4A11.V2 Fab light chain | protein | 204 | 5% helix, 45% strand | — |
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 817 | 0.71 | 0.77 | 79 | empty |
| 2 | 482 | 0.68 | 0.79 | 51 | empty |
| 3 | 52 | 0.68 | 0.96 | 26 | empty |
| 4 | 544 | 0.61 | 0.74 | 58 | empty |
| 5 | 578 | 0.61 | 0.74 | 53 | empty |
Interfaces
12 interfaces between chains.
- C–D · 1980 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 1832 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1359 Ų buried · 7 hydrogen bonds · protein-protein
- A–F · 446 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 381 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 7RCO · Crystal structure of human TGF-beta-2 bound to 4A11.V2 Fab · the same entry in another collection · chain F against F, TM-score 1.00
- P61812 · AlphaFold monomer V2.0 prediction for transforming growth factor beta-2 proprotein… · a predicted model of the same protein · chain A against A, TM-score 0.75
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 P61812
- Elsewhere: RCSB PDB 7RCO · PDBe 7RCO · UniProt P61812
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