MolNFT v1 · #42431 · protein

NMR structure of the H103G mutant SO2144 H-nox domain from shewanella oneidensis in the FE(II)CO ligation state

2KIL · Putative uncharacterized protein: “NMR structure of the H103G mutant SO2144 H-nox domain from shewanella oneidensis in the FE(II)CO ligation…”. Solution nmr, 2 ligands (HEM, CMO), 3 pockets (best druggability 0.79). MolNFT v1 #42431…

PDB: 2KIL
Type: protein
Length: 181 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein
UniProt: Q8EF49
Ligands: HEM, CMO
Pockets: 3 · best druggability 0.79

Structure

solution nmr · 1 distinct chain · 52% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative uncharacterized protein	protein	181	52% helix, 14% strand	Q8EF49

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
CMO · Carbon monoxide · ion · chains A
IMD · Imidazole · additive · chains A

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	720	0.79	0.82	56	HEM, CMO, IMD
2	135	0.56	0.82	19	empty
3	53	0.43	0.83	13	empty

Compared structures

2KIL · NMR structure of the H103G mutant SO2144 H-NOX domain from Shewanella oneidensis in the… · 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 Q8EF49
Elsewhere: RCSB PDB 2KIL · PDBe 2KIL · UniProt Q8EF49

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