MolNFT v1 · #72163 · protein

Crystal structure of a putative phosphatidylethanolamine-binding protein (pebp) homolog CT736 from chlamydia trachomatis D/UW-3/CX

3N08: “Crystal structure of a putative phosphatidylethanolamine-binding protein (pebp) homolog CT736 from chlamydia…”. X-ray diffraction, 2 ligands (CA, CL), 1 pocket (best druggability 0.56). MolNFT v1 #72163 on GenesisL1: 3D structure…

PDB: 3N08
Type: protein
Length: 304 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative phosphatidylethanolamine-binding protein (pebp)
UniProt: O84741
Ligands: CA, CL
Pockets: 1 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative phosphatidylethanolamine-binding protein (pebp)	protein	151	7% helix, 36% strand	O84741
B	Putative phosphatidylethanolamine-binding protein (pebp)	protein	153	7% helix, 36% strand	O84741

Ligands and binding sites

CA · Calcium ion · metal · 3 copies · chains A
CL · Chloride ion · ion · 4 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	216	0.56	0.79	45	empty

Interfaces

1 interface between chains.

A–B · 591 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3N08 · Crystal Structure of a Putative PhosphatidylEthanolamine-Binding Protein (PEBP) Homolog… · the same entry in another collection · chain A against A, TM-score 1.00
O84741 · AlphaFold monomer V2.0 prediction for UPF0098 protein CT_736 (O84741) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 O84741
Elsewhere: RCSB PDB 3N08 · PDBe 3N08 · UniProt O84741

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