Het-PDB Navi2 (PDB: 4NVN)

color scheme of protein:

hetatm:

information

centroid:

interaction residue:

chain:

Ligands
Code	Name	Link
2O1	2,3-dihydrobenzo[H][1,6]naphthyridin-4(1h)-one	PoSSuM
HEM	Protoporphyrin ix containing Fe	PoSSuM
PO4	Phosphate ion	PoSSuM

Download interaction data: 4NVN

Code :

Header :

OXIDOREDUCTASE

Title :

Predicting protein conformational response in prospective ligand discovery

Release Data :

2013-12-25

Compound :

mol_id	molecule	chains
1	Cytochrome c peroxidase	B
	fragment: UNP RESIDUES 72-362 mutation: P190G, W191G, DELETIONS G192-A193

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Saccharomyces cerevisiae (taxid:285006)	Baker's yeast	Escherichia coli (taxid:469008)
	strain: RM11-1A gene: CCP1 CCP CPO YKR066C, SCRG_04081 expression_system_strain: BL21(DE3) expression_system_vector_type: plasmid

Authors :

Fischer, M., Fraser, J.S.

Keywords :

Model system, flexibility, dynamic, loop, side-chains, energy penalty, occupancy, Boltzmann weights, flexible docking, ligand binding, OXIDOREDUCTASE

Exp. method :

X-RAY DIFFRACTION ( 1.470 Å )

Citation :

Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.

Fischer, M.,Coleman, R.G.,Fraser, J.S. et al.
(2014) Nat Chem 6 : 575 - 583

Chain :	B
UniProt :	B3LRE1 (No found in current UniProtKB/SwissProt)
Reaction :	-

PDB ID: 4NVN