MolNFT v1 · #81262 · protein

Crystal structure of calcium-binding protein-1 from entamoeba histolytica in complex with barium

3ULG: “Crystal structure of calcium-binding protein-1 from entamoeba histolytica in complex with barium”. X-ray diffraction, 1 ligand (BA), 1 pocket (best druggability 0.31). MolNFT v1 #81262 on GenesisL1: 3D structure, binding sites and…

PDB: 3ULG
Type: protein
Length: 124 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calcium-binding protein
UniProt: P38505
Ligands: BA
Pockets: 1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Calcium-binding protein	protein	62	63% helix, 0% strand	P38505

Ligands and binding sites

BA · Barium ion · metal · 6 copies · chains A, B

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

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	75	0.31	0.73	15	empty

Interfaces

1 interface between chains.

A–B · 267 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3ULG · Crystal structure of Calcium-Binding Protein-1 from Entamoeba histolytica in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
P38505 · AlphaFold monomer V2.0 prediction for calcium-binding protein (P38505) · a predicted model of the same protein · chain A against A, TM-score 0.48

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 P38505
Elsewhere: RCSB PDB 3ULG · PDBe 3ULG · UniProt P38505

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