Backbone and sidechain 13C, 15N, and 1H assignments of cruzain in complex with K777

protein-ligand complex; ligand is unlabeled

current entry is solution-state version of 2OZ2.

13C and 15N shifts not corrected for 2H-effects

Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Feb 3 16:49:21 2012

separate tube (no insert) similar to the experimental sample tube

Mapping inhibitor binding modes on an active cysteine protease via nuclear magnetic resonance spectroscopy.

Cys25 thiol is covalently bound to inhibitor; Cys36 thiol is free; all others are disulfide bound.
residue sequence numbers match that of x-ray crystal structure of cruzain-K777 complex (2OZ2).

13C, 15N, 2H-labeled; only ~ 80% amides back-exchanged to 1H.

Cruzain Inhibited By Benzoyl-Tyrosine-Alanine-Fluoromethylketone

Crystal Structure Of Cruzain Bound To Wrr-99

The Cysteine Protease Cruzain Bound To Wrr-112

The Cysteine Protease Cruzain Bound To Wrr-204

Crystal Structure Analysis Of Cruzain Bound To A Vinyl Sulfone Derived Inhibitor (I)

Crystal Structure Analysis Of Cruzain Bound To A Vinyl Sulfone Derived Inhibitor (Ii)

Crystal Structure Analysis Of Cruzain Bound To Vinyl Sulfone Derived Inhibitor (Iii)

Crystal Structure Analysis Of Cryzain Bound To Vinyl Sulfone Derived Inhibitor (Iv)

High Resolution Crystal Structure Analysis Of Cruzain Non- Covalently Bound To A Hydroxymethyl Ketone Inhibitor (Ii)

High Resolution Crystal Structure Analysis Of Cruzain Non-Covalently Bound To A Hydroxymethyl Ketone Inhibitor (I)

Crystal Structure Of Cruzain Bound To An Alpha-Ketoester

Cruzain Inhibited With Benzoyl-Arginine-Alanine-Fluoromethylketone

Crystal Structure Analysis Of Cruzain Bound To Vinyl Sulfone Derived Inhibitor (K11777)

High Resolution Crystal Structure Of Cruzain Bound To The Vinyl Sulfone Inhibitor Smdc-256047

Crystal Structure Of Cruzain Covalently Bound To A Purine Nitrile

The Crystal Structure Of Cruzain In Complex With A Tetrafluorophenoxymethyl Ketone Inhibitor

Cruzain In Complex With A Non-Covalent Ligand

Crystal Structure Analysis Of Cruzain Bound To Vinyl Sulfone Derived Inhibitor (Wrr483)

Crystal Structure Of Cruzain In Complex With The Non-covalent Inhibitor Nequimed176

Crystal Structure Analysis Of Cruzain Bound To Vinyl Sulfone Analog Of Wrr-483 (wrr-666)

Crystal Structure Of Cruzain With Nitrile Inhibitor N-(2-aminoethyl)- Nalpha-benzoyl-l-phenylalaninamide

Crystal Structure Analysis Of Cruzain With Fragment 1 (n-(1h- Benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide)

Crystal Structure Analysis Of Cruzain With Three Fragments: 1 (n-(1h- Benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide),

Crystal Structure Analysis Of Cruzain Bound To The No-covalent Analog Of Wrr-483 (wrr-669)

cruzipain precursor [Trypanosoma cruzi strain CL Brener]

cysteine peptidase [Trypanosoma cruzi strain CL Brener]

RecName: Full=Cruzipain; AltName: Full=Cruzaine; AltName: Full=Major cysteine proteinase; Flags: Precursor

13C, 15N, 1H shifts; protein was uniformly 13C/15N/2H-labeled; ligand is unlabeled

Related to x-ray crystal structure of cruzain-K777 complex; monomeric solution state.

uniform 13C/15N/2H-labeled cruzain; unlabeled K777

uniform 15N/1H-labeled cruzain; unlabeled K777

20 mM potassium phosphate, no salt, 1 mM DTT, 10% D2O

Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax