MolNFT v1 · #79847 · protein

Crystal structure of an H-nox protein from nostoc sp. pcc 7120, L67W mutant

3TFF · ALR2278 protein: “Crystal structure of an H-nox protein from nostoc sp. pcc 7120, L67W mutant”. X-ray diffraction, 1 ligand (HEM), 7 pockets (best druggability 0.84). MolNFT v1 #79847 on GenesisL1: 3D structure, binding sites and…

PDB: 3TFF
Type: protein
Length: 364 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALR2278 protein
UniProt: Q8YUQ7
Ligands: HEM
Pockets: 7 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ALR2278 protein	protein	182	53% helix, 17% strand	Q8YUQ7

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
MLA · Malonic acid · additive · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	322	0.84	0.94	37	HEM
2	325	0.83	0.93	39	HEM
3	170	0.53	0.79	30	MLA
4	92	0.49	0.82	23	empty
5	101	0.48	0.81	27	empty

Interfaces

1 interface between chains.

A–B · 1020 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

3TFF · Crystal structure of an H-NOX protein from Nostoc sp. PCC 7120, L67W mutant · 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 3TFF · PDBe 3TFF · UniProt Q8YUQ7

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