MolNFT v1 · #66927 · protein

Type 2 repeat of the mucus binding protein mub from lactobacillus reuteri

3I57: “Type 2 repeat of the mucus binding protein mub from lactobacillus reuteri”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.51). MolNFT v1 #66927 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3I57
Type: protein
Length: 368 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mucus binding protein
UniProt: Q9RGN5
Ligands: CA
Pockets: 4 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Mucus binding protein	protein	184	5% helix, 51% strand	Q9RGN5

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

4 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	241	0.51	0.75	24	empty
2	99	0.32	0.72	21	empty
3	64	0.30	0.75	14	empty
4	75	0.29	0.73	16	empty

Interfaces

1 interface between chains.

A–B · 653 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

3I57 · Type 2 repeat of the mucus binding protein MUB from Lactobacillus reuteri · the same entry in another collection · chain A against A, TM-score 1.00

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 Q9RGN5
Elsewhere: RCSB PDB 3I57 · PDBe 3I57 · UniProt Q9RGN5

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