MolNFT v1 · #100248 · protein

Crystal structure of CA(2+)- discharged Y138F obelin mutant from obelia longissima at 1.30 ångström resolution

4MRY: “Crystal structure of CA(2+)- discharged Y138F obelin mutant from obelia longissima at 1.30 ångström resolution”. X-ray diffraction, 2 ligands (CEI, CA), 2 pockets (best druggability 0.78). MolNFT v1 #100248 on GenesisL1: 3D…

PDB: 4MRY
Type: protein
Length: 187 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Obelin
UniProt: Q27709
Ligands: CEI, CA
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Obelin	protein	187	61% helix, 4% strand	Q27709

Ligands and binding sites

CEI · N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide · ligand · chains A
CA · Calcium ion · metal · 3 copies · chains A

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

Pockets

2 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	221	0.78	0.91	36	CEI
2	58	0.36	0.79	24	empty

Compared structures

4MRY · Crystal Structure of Ca(2+)- discharged Y138F obelin mutant from Obelia longissima at… · the same entry in another collection · chain A against A, TM-score 1.00
Q27709 · AlphaFold monomer V2.0 prediction for obelin (Q27709) · a predicted model of the same protein · chain A against A, TM-score 0.89

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 Q27709
Elsewhere: RCSB PDB 4MRY · PDBe 4MRY · UniProt Q27709

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