BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 5583

Title: NMR structure of P41icf, a potent inhibitor of human cathepsin L   PubMed: 12568610

Authors: Chiva, C.; Barthe, P.; Codina, A.; Giralt, E.

Citation: Chiva, C.; Barthe, P.; Codina, A.; Gairi, M.; Molina, F.; Granier, C.; Pugniere, M.; Inui, T.; Nishio, H.; Nishiuchi, Y.; Kimura, T.; Sakakibara, S.; Albericio, F.; Giralt, E.. "Synthesis and NMR Structure of P41icf, a Potent Inhibitor of Human Cathepsin L"  J. Am. Chem. Soc. 125, 1508-1517 (2003).

Assembly members:
MHC CLASS II-ASSOCIATED P41 INVARIANT CHAIN FRAGMENT (P41icf), polymer, 65 residues, 7246 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
MHC CLASS II-ASSOCIATED P41 INVARIANT CHAIN FRAGMENT (P41icf): LTKCQEEVSHIPAVHPGSFR PKCDENGNYLPLQCYGSIGY CWCVFPNGTEVPNTRSRGHH NCSES

Data sets:
Data typeCount
1H chemical shifts383
coupling constants42

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1MHC CLASS II-ASSOCIATED P41 INVARIANT CHAIN FRAGMENT1

Entities:

Entity 1, MHC CLASS II-ASSOCIATED P41 INVARIANT CHAIN FRAGMENT 65 residues - 7246 Da.

1   LEUTHRLYSCYSGLNGLUGLUVALSERHIS
2   ILEPROALAVALHISPROGLYSERPHEARG
3   PROLYSCYSASPGLUASNGLYASNTYRLEU
4   PROLEUGLNCYSTYRGLYSERILEGLYTYR
5   CYSTRPCYSVALPHEPROASNGLYTHRGLU
6   VALPROASNTHRARGSERARGGLYHISHIS
7   ASNCYSSERGLUSER

Samples:

sample_1: MHC CLASS II-ASSOCIATED P41 INVARIANT CHAIN FRAGMENT (P41icf) 1 mM; phosphate_buffer 20 mM; NaN3 0.01 mM; H20 85%; D2O 15%

sample_cond_1: pH: 5.7; temperature: 288 K; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
DQF-COSYnot availablenot availablenot available
2D TOCSYnot availablenot availablenot available
2D NOESYnot availablenot availablenot available

Software:

NMRPipe - processing

NMRview - data analysis

DYANA v1.5 - structure solution

AMBER v5.0 - refinement

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

PDB
DBJ BAG60210
GB AAA35996 EAW61731
REF NP_001020330 XP_003266686 XP_003829068 XP_004042860 XP_008986092
SP P04233