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Crystal structure of E. COLI decanoyl-acp

Analyse Crystal structure of E. COLI decanoyl-acp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2FAE
Type: protein
Length: 154 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acyl carrier protein
UniProt: P0A6A8
Ligands: PM8, PSE, ZN
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Acyl carrier protein	protein	77	58% helix, 3% strand	P0A6A8

Ligands and binding sites

PM8 · S-(2-{[N-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) decanethioate · ligand · chains A
PSE · O-phosphoethanolamine · ligand · chains B
ZN · Zinc ion · metal · 8 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	152	0.69	0.88	24	empty
2	165	0.65	0.85	25	PM8
3	146	0.54	0.81	18	empty

Interfaces

1 interface between chains.

A–B · 326 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

2FAE · Crystal structure of E. coli decanoyl-ACP · the same entry in another collection · chain A against A, TM-score 1.00
P0A6A8 · AlphaFold monomer V2.0 prediction for acyl carrier protein (P0A6A8) · a predicted model of the same protein · chain B against A, TM-score 0.95

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 P0A6A8
Elsewhere: RCSB PDB 2FAE · PDBe 2FAE · UniProt P0A6A8

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