MolNFT v1 · #182182 · protein

Crystal structure of nanoluc luciferase mutant R164Q

7MJB: “Crystal structure of nanoluc luciferase mutant R164Q”. X-ray diffraction, 3 ligands (DKA, NO3, CL), 2 pockets (best druggability 0.82). MolNFT v1 #182182 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7MJB
Type: protein
Length: 337 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nanoluc luciferase
EC: 1.13.12.13
Ligands: DKA, NO3, CL
Pockets: 2 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 17% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nanoluc luciferase (EC 1.13.12.13)	protein	171	18% helix, 53% strand	—
B	Nanoluc luciferase (EC 1.13.12.13)	protein	166	15% helix, 54% strand	—

Ligands and binding sites

DKA · Decanoic acid · ligand · 2 copies · chains A, B
NO3 · Nitrate ion · ion · 3 copies · chains A, B
CL · Chloride ion · ion · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

2 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	825	0.82	0.84	72	empty
2	401	0.65	0.78	40	empty

Interfaces

1 interface between chains.

A–B · 979 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

7MJB · Crystal Structure of Nanoluc Luciferase Mutant R164Q · 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
Elsewhere: RCSB PDB 7MJB · PDBe 7MJB

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