MolNFT v1 · #79842 · protein

Crystal structure of an H-nox protein from nostoc sp. pcc 7120 under 6 atm of xenon

3TFA · ALR2278 protein: “Crystal structure of an H-nox protein from nostoc sp. pcc 7120 under 6 atm of xenon”. X-ray diffraction, 2 ligands (HEM, XE), 3 pockets (best druggability 0.89). MolNFT v1 #79842 on GenesisL1: 3D structure, binding…

PDB: 3TFA
Type: protein
Length: 366 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALR2278 protein
UniProt: Q8YUQ7
Ligands: HEM, XE
Pockets: 3 · best druggability 0.89

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ALR2278 protein	protein	183	52% helix, 18% strand	Q8YUQ7

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
XE · Xenon · ion · 6 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1172	0.89	0.90	128	HEM, XE
2	112	0.46	0.79	33	empty
3	50	0.35	0.79	14	empty

Interfaces

1 interface between chains.

A–B · 456 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3TFA · Crystal structure of an H-NOX protein from Nostoc sp. PCC 7120 under 6 atm of xenon · 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 Q8YUQ7
Elsewhere: RCSB PDB 3TFA · PDBe 3TFA · UniProt Q8YUQ7

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