MolNFT v1 · #84399 · protein

LEU(142)G4ALA mutation of M.ACETIVORANS protoglobin in complex with cyanide

3ZJL: “LEU(142)G4ALA mutation of M.ACETIVORANS protoglobin in complex with cyanide”. X-ray diffraction, 2 ligands (HEM, CYN), 2 pockets (best druggability 0.86). MolNFT v1 #84399 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3ZJL
Type: protein
Length: 382 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protoglobin
UniProt: Q8TLY9
Ligands: HEM, CYN
Pockets: 2 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protoglobin	protein	191	65% helix, 2% strand	Q8TLY9

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
CYN · Cyanide ion · ion · 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	310	0.86	0.96	34	HEM, CYN
2	313	0.86	0.95	39	HEM, CYN

Interfaces

1 interface between chains.

A–B · 1934 Å² buried · 31 hydrogen bonds · protein-protein

Compared structures

3ZJL · Leu(142)G4Ala mutation of M.acetivorans protoglobin in complex with cyanide · 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 Q8TLY9
Elsewhere: RCSB PDB 3ZJL · PDBe 3ZJL · UniProt Q8TLY9

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