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Cftr associated ligand (cal) PDZ domain bound to peptide ICAL36-vqd (ansrvqdsii)

Analyse Cftr associated ligand (cal) PDZ domain bound to peptide ICAL36-vqd (ansrvqdsii) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4K72
Type: protein
Length: 187 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Golgi-associated PDZ and coiled-coil motif-containing protein; ICAL36-vqd peptide
UniProt: Q9HD26
Pockets: 1 · best druggability 0.40

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Golgi-associated PDZ and coiled-coil motif-containing protein	protein	87	21% helix, 41% strand	Q9HD26
C	ICAL36-vqd peptide	protein	4	0% helix, 50% strand	—
D	ICAL36-vqd peptide	protein	9	0% helix, 33% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	131	0.40	0.74	24	empty

Interfaces

4 interfaces between chains.

B–D · 486 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 408 Å² buried · 3 hydrogen bonds · protein-protein
A–C · 336 Å² buried · 10 hydrogen bonds · protein-protein
A–D · 178 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4K72 · CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-VQD (ANSRVQDSII) · the same entry in another collection · chain A against A, TM-score 1.00
Q9HD26 · AlphaFold monomer V2.0 prediction for golgi-associated PDZ and coiled-coil… · a predicted model of the same protein · chain A 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 Q9HD26
Elsewhere: RCSB PDB 4K72 · PDBe 4K72 · UniProt Q9HD26

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