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Crystal structure of holo pfacp reduced monomer

Analyse Crystal structure of holo pfacp reduced monomer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3GZM
Type: protein
Length: 159 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acyl carrier protein
UniProt: O77077
Ligands: PNS
Pockets: 1 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acyl carrier protein	protein	78	69% helix, 3% strand	O77077
B	Acyl carrier protein	protein	81	63% helix, 2% strand	O77077

Ligands and binding sites

PNS · 4'-phosphopantetheine · ligand · 2 copies · chains A, B
MLI · Malonate ion · additive · 14 copies · chains A, B
BME · Beta-mercaptoethanol · additive · chains A

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	280	0.65	0.81	36	BME, MLI

Interfaces

1 interface between chains.

A–B · 505 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor (phosphopantetheinylation).

Compared structures

3GZM · Crystal Structure of holo PfACP Reduced Monomer · 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 O77077
Elsewhere: RCSB PDB 3GZM · PDBe 3GZM · UniProt O77077

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