MolNFT v1 · #76672 · protein

Chlamydomonas reinhardtii centrin bound to melittin

3QRX: “Chlamydomonas reinhardtii centrin bound to melittin”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.68). MolNFT v1 #76672 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3QRX
Type: protein
Length: 165 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Centrin; Melittin
UniProt: A8JC40, P01501
Ligands: CA
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Centrin	protein	145	63% helix, 4% strand	A8JC40
B	Melittin	protein	20	85% helix, 0% strand	P01501

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	174	0.68	0.86	22	empty
2	63	0.38	0.77	13	empty
3	58	0.35	0.77	17	empty

Interfaces

1 interface between chains.

A–B · 453 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3QRX · Chlamydomonas reinhardtii centrin bound to melittin · the same entry in another collection · chain A against A, TM-score 1.00
P01501 · AlphaFold monomer V2.0 prediction for melittin (P01501) · a predicted model of the same protein · chain B against A, TM-score 0.44

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 A8JC40
Every structure of UniProt P01501
Elsewhere: RCSB PDB 3QRX · PDBe 3QRX · UniProt A8JC40 · UniProt P01501

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