MolNFT v1 · #169813 · protein
Crystal structure of V39A mutant of human CEACAM1
6XNW · Carcinoembryonic antigen-related cell adhesion molecule 1: “Crystal structure of V39A mutant of human CEACAM1”. X-ray diffraction, 1 ligand (NI), 1 pocket (best druggability 0.28). MolNFT v1 #169813 on GenesisL1: 3D structure…
- PDB
- 6XNW
- Type
- protein
- Length
- 428 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carcinoembryonic antigen-related cell adhesion molecule 1
- UniProt
- P13688
- Ligands
- NI
- Pockets
- 1 · best druggability 0.28
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Carcinoembryonic antigen-related cell adhesion molecule 1 | protein | 107 | 6% helix, 51% strand | P13688 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.28 | 0.74 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 834 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 537 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 510 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6XNW · Crystal structure of V39A mutant of human CEACAM1 · the same entry in another collection · chain D against D, TM-score 1.00
- P13688 · AlphaFold monomer V2.0 prediction for carcinoembryonic antigen- related cell adhesion… · a predicted model of the same protein · chain D against A, TM-score 0.99
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 P13688
- Elsewhere: RCSB PDB 6XNW · PDBe 6XNW · UniProt P13688
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