MolNFT v1 · #77246 · protein

Crystal structure of microcin C7 self immunity acetyltransferase mcce in complex with acetyl-CoA

3R95 · Mcce protein: “Crystal structure of microcin C7 self immunity acetyltransferase mcce in complex with acetyl-CoA”. X-ray diffraction, 1 ligand (ACO), 2 pockets (best druggability 0.74). MolNFT v1 #77246 on GenesisL1: 3D structure…

PDB: 3R95
Type: protein
Length: 355 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mcce protein
UniProt: Q47510
Ligands: ACO
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mcce protein	protein	180	36% helix, 36% strand	Q47510
B	Mcce protein	protein	175	38% helix, 37% strand	Q47510

Ligands and binding sites

ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1020	0.74	0.77	100	ACO
2	584	0.70	0.78	56	ACO

Interfaces

1 interface between chains.

A–B · 283 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3R95 · Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with… · 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 Q47510
Elsewhere: RCSB PDB 3R95 · PDBe 3R95 · UniProt Q47510

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