MolNFT v1 · #164330 · protein
Structure of the high affinity engineered lipocalin C1B12 in complex with the mouse CD98 heavy chain ectodomain
6SUA · Neutrophil gelatinase-associated lipocalin: “Structure of the high affinity engineered lipocalin C1B12 in complex with the mouse CD98 heavy chain…”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 6SUA
- Type
- protein
- Length
- 1,186 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neutrophil gelatinase-associated lipocalin; 4F2 cell-surface antigen heavy chain
- UniProt
- P80188, P10852
- Ligands
- SO4
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Neutrophil gelatinase-associated lipocalin | protein | 174 | 11% helix, 40% strand | P80188 |
| B, D | 4F2 cell-surface antigen heavy chain | protein | 419 | 37% helix, 20% strand | P10852 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 12 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 519 | 0.73 | 0.82 | 64 | SO4 |
| 2 | 490 | 0.72 | 0.81 | 67 | SO4 |
| 3 | 444 | 0.63 | 0.77 | 43 | empty |
| 4 | 392 | 0.60 | 0.76 | 41 | empty |
| 5 | 190 | 0.51 | 0.77 | 36 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1465 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1453 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 120 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6SUA · Structure of the high affinity engineered lipocalin C1B12 in complex with the mouse CD98… · the same entry in another collection · chain A against A, TM-score 1.00
- P10852 · AlphaFold monomer V2.0 prediction for 4F2 cell-surface antigen heavy chain (P10852) · a predicted model of the same protein · chain D against A, TM-score 0.97
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 P80188
- Every structure of UniProt P10852
- Elsewhere: RCSB PDB 6SUA · PDBe 6SUA · UniProt P80188 · UniProt P10852
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.