MolNFT v1 · #84395 · protein

TRP(60)B9ALA mutation of M.ACETIVORANS protoglobin in complex with cyanide

3ZJH: “TRP(60)B9ALA mutation of M.ACETIVORANS protoglobin in complex with cyanide”. X-ray diffraction, 2 ligands (HEM, CYN), 3 pockets (best druggability 0.86). MolNFT v1 #84395 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3ZJH
Type: protein
Length: 384 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protoglobin
UniProt: Q8TLY9
Ligands: HEM, CYN
Pockets: 3 · best druggability 0.86

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protoglobin	protein	191	65% helix, 2% strand	Q8TLY9
B	Protoglobin	protein	193	64% 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

3 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	346	0.86	0.95	44	HEM, CYN
2	328	0.86	0.95	38	HEM, CYN
3	57	0.27	0.73	13	empty

Interfaces

1 interface between chains.

A–B · 1945 Å² buried · 34 hydrogen bonds · protein-protein

Compared structures

3ZJH · Trp(60)B9Ala 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 3ZJH · PDBe 3ZJH · UniProt Q8TLY9

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