MolNFT v1 · #87829 · protein

The structure of cbix, the terminal enzyme for biosynthesis of siroheme in denitrifying bacteria

4CCS: “The structure of cbix, the terminal enzyme for biosynthesis of siroheme in denitrifying bacteria”. X-ray diffraction, 2 ligands (MLT, NA), 2 pockets (best druggability 0.61). MolNFT v1 #87829 on GenesisL1: 3D structure, binding…

PDB: 4CCS
Type: protein
Length: 226 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cbix
Ligands: MLT, NA
Pockets: 2 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cbix	protein	226	45% helix, 17% strand	—

Ligands and binding sites

MLT · D-malate · ligand · chains A
NA · Sodium ion · metal · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	251	0.61	0.80	36	empty
2	58	0.38	0.79	19	empty

Compared structures

4CCS · The structure of CbiX, the terminal Enzyme for Biosynthesis of Siroheme in Denitrifying… · 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
Elsewhere: RCSB PDB 4CCS · PDBe 4CCS

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