MolNFT v1 · #10913 · protein

Crystal structure of haemophilus influenzae luxs

1J6W · Autoinducer-2 production protein luxs: “Crystal structure of haemophilus influenzae luxs”. X-ray diffraction, 2 ligands (MET, ZN), 4 pockets (best druggability 0.75). MolNFT v1 #10913 on GenesisL1: 3D structure, binding sites and…

PDB: 1J6W
Type: protein
Length: 321 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Autoinducer-2 production protein luxs
UniProt: P44007
Ligands: MET, ZN
Pockets: 4 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Autoinducer-2 production protein luxs	protein	161	39% helix, 24% strand	P44007
B	Autoinducer-2 production protein luxs	protein	160	40% helix, 23% strand	P44007

Ligands and binding sites

MET · Methionine · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

4 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	183	0.75	0.91	32	ZN, MET
2	164	0.72	0.90	33	ZN, MET
3	59	0.30	0.75	15	empty
4	64	0.29	0.73	15	empty

Interfaces

1 interface between chains.

A–B · 2171 Å² buried · 34 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

1J6W · Crystal structure of haemophilus influenzae luxs · the same entry in another collection · chain A against A, TM-score 1.00
P44007 · AlphaFold monomer V2.0 prediction for S-ribosylhomocysteine lyase (P44007) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P44007
Elsewhere: RCSB PDB 1J6W · PDBe 1J6W · UniProt P44007

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