MolNFT v1 · #154058 · protein

Structure of cbpj from streptococcus pneumoniae TIGR4

6JYX · Choline binding protein J: “Structure of cbpj from streptococcus pneumoniae TIGR4”. X-ray diffraction, 1 ligand (CHT), 4 pockets (best druggability 0.70). MolNFT v1 #154058 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6JYX
Type: protein
Length: 585 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Choline binding protein J
UniProt: A0A0H2UNH0
Ligands: CHT
Pockets: 4 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 1% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Choline binding protein J	protein	292	0% helix, 49% strand	A0A0H2UNH0
B	Choline binding protein J	protein	293	1% helix, 49% strand	A0A0H2UNH0

Ligands and binding sites

CHT · Choline ion · ligand · 14 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	563	0.70	0.79	42	CHT
2	637	0.69	0.77	49	CHT
3	139	0.43	0.76	24	empty
4	82	0.41	0.79	17	empty

Interfaces

1 interface between chains.

A–B · 1330 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

6JYX · Structure of CbpJ from Streptococcus Pneumoniae TIGR4 · 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 A0A0H2UNH0
Elsewhere: RCSB PDB 6JYX · PDBe 6JYX · UniProt A0A0H2UNH0

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