MolNFT v1 · #148836 · protein

Crystallographic structure of calcium loaded calbindin-D28K.

6FIE: “Crystallographic structure of calcium loaded calbindin-D28K.”. X-ray diffraction, 2 ligands (CA, SCN), 2 pockets (best druggability 0.44). MolNFT v1 #148836 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6FIE
Type: protein
Length: 255 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calbindin
UniProt: P05937
Ligands: CA, SCN
Pockets: 2 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Calbindin	protein	255	60% helix, 5% strand	P05937

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains B
SCN · Thiocyanate ion · ion · 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	122	0.44	0.77	19	empty
2	59	0.34	0.77	18	empty

Compared structures

6FIE · Crystallographic structure of calcium loaded Calbindin-D28K. · the same entry in another collection · chain B against B, TM-score 1.00
P05937 · AlphaFold monomer V2.0 prediction for calbindin (P05937) · a predicted model of the same protein · chain B against A, TM-score 0.93

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 P05937
Elsewhere: RCSB PDB 6FIE · PDBe 6FIE · UniProt P05937

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