Research workbench
Crystal structure of the complete modular teichioic acid phosphorylcholine esterase pce (cbpe) from streptococcus pneumoniae
Analyse Crystal structure of the complete modular teichioic acid phosphorylcholine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BIB
- Type
- protein
- Length
- 540 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Teichoic acid phosphorylcholine esterase/ choline binding protein
- UniProt
- Q8DQ62
- Ligands
- PC, ZN, CA
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Teichoic acid phosphorylcholine esterase/ choline binding protein | protein | 540 | 14% helix, 35% strand | Q8DQ62 |
Ligands and binding sites
- PC · Phosphocholine · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 7 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 180 | 0.50 | 0.77 | 22 | PC |
| 2 | 65 | 0.31 | 0.74 | 11 | BTB |
Compared structures
- 2BIB · Crystal structure of the complete modular teichioic acid phosphorylcholine esterase Pce… · 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 Q8DQ62
- Elsewhere: RCSB PDB 2BIB · PDBe 2BIB · UniProt Q8DQ62
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