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Crystal structure of the hopq-CEACAM3 wt complex

Analyse Crystal structure of the hopq-CEACAM3 wt complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6AVZ
Type: protein
Length: 458 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hopq; Carcinoembryonic antigen-related cell adhesion molecule 3; Part of hopq loop
UniProt: H6A3H4, P40198
Ligands: CA
Pockets: 2 · best druggability 0.49

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Hopq	protein	347	52% helix, 14% strand	H6A3H4
A	Carcinoembryonic antigen-related cell adhesion molecule 3	protein	108	6% helix, 51% strand	P40198
E	Part of hopq loop	protein	3	0% helix, 0% strand	—

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	112	0.49	0.80	22	CA
2	183	0.48	0.76	30	empty

Interfaces

3 interfaces between chains.

B–A · 955 Å² buried · 11 hydrogen bonds · protein-protein
B–E · 183 Å² buried · 2 hydrogen bonds · protein-protein
A–E · 18 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

6AVZ · Crystal structure of the HopQ-CEACAM3 WT complex · the same entry in another collection · chain B against B, TM-score 1.00
P40198 · AlphaFold monomer V2.0 prediction for carcinoembryonic antigen- related cell adhesion… · a predicted model of the same protein · chain A against A, TM-score 0.98

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 H6A3H4
Every structure of UniProt P40198
Elsewhere: RCSB PDB 6AVZ · PDBe 6AVZ · UniProt H6A3H4 · UniProt P40198

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