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Crystal structure of the C139A mutant of nostoc H-nox domain

Analyse Crystal structure of the C139A mutant of nostoc H-nox domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4IAM
Type: protein
Length: 364 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALR2278 protein
EC: 4.6.1.2
UniProt: Q8YUQ7
Ligands: HEM
Pockets: 6 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ALR2278 protein (EC 4.6.1.2)	protein	182	55% helix, 17% strand	Q8YUQ7

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
MLI · Malonate ion · additive · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	346	0.84	0.93	48	HEM
2	324	0.83	0.92	38	HEM
3	175	0.55	0.80	28	MLI
4	160	0.51	0.78	26	MLI
5	97	0.51	0.82	27	empty

Interfaces

1 interface between chains.

A–B · 1104 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

4IAM · Crystal Structure of the C139A mutant of nostoc H-NOX domain · 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 4IAM · PDBe 4IAM · UniProt Q8YUQ7

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