MolNFT v1 · #99661 · protein
Crystal structure of anti-hinge rabbit antibody C2095
4MA3 · C2095 light chain: “Crystal structure of anti-hinge rabbit antibody C2095”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.72). MolNFT v1 #99661 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MA3
- Type
- protein
- Length
- 869 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- C2095 light chain; C2095 heavy chain
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L, A | C2095 light chain | protein | 219 | 7% helix, 52% strand | — |
| H | C2095 heavy chain | protein | 216 | 7% helix, 51% strand | — |
| B | C2095 heavy chain | protein | 215 | 7% helix, 51% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 775 | 0.72 | 0.78 | 63 | empty |
| 2 | 655 | 0.64 | 0.75 | 70 | empty |
| 3 | 591 | 0.62 | 0.74 | 60 | empty |
| 4 | 187 | 0.52 | 0.78 | 27 | ACT, SO4 |
| 5 | 158 | 0.50 | 0.78 | 23 | SO4 |
Interfaces
5 interfaces between chains.
- A–B · 1966 Ų buried · 20 hydrogen bonds · protein-protein
- L–H · 1946 Ų buried · 22 hydrogen bonds · protein-protein
- H–A · 316 Ų buried · 8 hydrogen bonds · protein-protein
- L–B · 284 Ų buried · 1 hydrogen bond · protein-protein
- H–B · 152 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 10 disulfide, 4 modified (disulfide, cyclization).
Compared structures
- 4MA3 · Crystal structure of anti-hinge rabbit antibody C2095 · the same entry in another collection · chain L against L, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 4MA3 · PDBe 4MA3
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