MolNFT v1 · #36590 · protein

Crystal structure of E. COLI hexanoyl-acp

2FAC · Acyl carrier protein: “Crystal structure of E. COLI hexanoyl-acp”. X-ray diffraction, 2 ligands (PM4, ZN), 3 pockets (best druggability 0.68). MolNFT v1 #36590 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2FAC
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: PM4, ZN
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Acyl carrier protein	protein	77	60% helix, 3% strand	P0A6A8

Ligands and binding sites

PM4 · S-(2-{[N-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) hexanethioate · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 11 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	136	0.68	0.88	25	PM4
2	105	0.61	0.87	19	PM4
3	73	0.54	0.86	15	empty

Interfaces

1 interface between chains.

A–B · 369 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

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

Compared structures

2FAC · Crystal structure of E. coli hexanoyl-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 0.96

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 2FAC · PDBe 2FAC · UniProt P0A6A8

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.