MolNFT v1 · #53813 · protein

The binary complex of prnb (the second enzyme in pyrrolnitrin biosynthesis pathway) and cyanide

2X66: “The binary complex of prnb (the second enzyme in pyrrolnitrin biosynthesis pathway) and cyanide”. X-ray diffraction, 3 ligands (HEM, CYN, SO4), 1 pocket (best druggability 0.79). MolNFT v1 #53813 on GenesisL1: 3D structure, binding…

PDB: 2X66
Type: protein
Length: 343 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Prnb
UniProt: P95481
Ligands: HEM, CYN, SO4
Pockets: 1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Prnb	protein	343	70% helix, 2% strand	P95481

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
CYN · Cyanide ion · ion · chains A
SO4 · Sulfate ion · ion · 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	542	0.79	0.85	49	CYN, HEM

Compared structures

2X66 · The binary complex of PrnB (the second enzyme in pyrrolnitrin biosynthesis pathway) and… · the same entry in another collection · chain A against A, TM-score 1.00
P95481 · AlphaFold monomer V2.0 prediction for monodechloroaminopyrrolnitrin synthase prnb (P95481) · a predicted model of the same protein · 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 P95481
Elsewhere: RCSB PDB 2X66 · PDBe 2X66 · UniProt P95481

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