Brand  (β version)

PDB ID: 4NVN

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

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Structure summary

Code : 4NVN   PDBj   RCSB PDB   PDBe
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

PubMed: 24950326
DOI: 10.1038/nchem.1954

Reaction

Chain : B
UniProt : B3LRE1 (B3LRE1_YEAS1)
Reaction: EC: Evidence:
Physiological Direction:
2 Fe(II)-[cytochrome c] + H2O2 + 2 H(+) = 2 Fe(III)- [cytochrome c] + 2 H2O 1.11.1.5 ARBA:ARBA00049265
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