BMRB Entry 6794
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6794
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Title: L.mexicana ICP PubMed: 16596344
Deposition date: 2005-08-29 Original release date: 2006-04-11
Authors: Smith, Brian; Westrop, Gareth; Mottram, Jeremy; Coombs, Graham
Citation: Smith, Brian; Westrop, Gareth; Mottram, Jeremy; Coombs, Graham. "Chemical shift assignments of leishmania mexicana ICP, a novel cysteine peptidase inhibitor." J. Biomol. NMR 36, 7-7 (2006).
Assembly members:
LM ICP residues 6 to 113, polymer, 108 residues, Formula weight is not available
LM ICP residues -2 to 5, polymer, 7 residues, Formula weight is not available
Natural source: Common Name: Leishmania mexicana Taxonomy ID: 5665 Superkingdom: Eukaryota Kingdom: not available Genus/species: Leishmania mexicana
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
LM ICP residues 6 to 113: SVKDNDKWVDTHVGKTTEIH
LKGNPTTGYMWTRVGFVGKD
VLSDEILEVVCKYTPTPSST
PMVGVGGIYVVLVKPRKRGH
HTLELVYTRPFEGIKPENER
YTLHLNVK
LM ICP residues -2 to 5: GSHMIAPL
- assigned_chemical_shifts
| Data type | Count |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | LM_ICP2 | 1 |
| 2 | LM_ICP1 | 2 |
Entities:
Entity 1, LM_ICP2 108 residues - Formula weight is not available
| 1 | SER | VAL | LYS | ASP | ASN | ASP | LYS | TRP | VAL | ASP | ||||
| 2 | THR | HIS | VAL | GLY | LYS | THR | THR | GLU | ILE | HIS | ||||
| 3 | LEU | LYS | GLY | ASN | PRO | THR | THR | GLY | TYR | MET | ||||
| 4 | TRP | THR | ARG | VAL | GLY | PHE | VAL | GLY | LYS | ASP | ||||
| 5 | VAL | LEU | SER | ASP | GLU | ILE | LEU | GLU | VAL | VAL | ||||
| 6 | CYS | LYS | TYR | THR | PRO | THR | PRO | SER | SER | THR | ||||
| 7 | PRO | MET | VAL | GLY | VAL | GLY | GLY | ILE | TYR | VAL | ||||
| 8 | VAL | LEU | VAL | LYS | PRO | ARG | LYS | ARG | GLY | HIS | ||||
| 9 | HIS | THR | LEU | GLU | LEU | VAL | TYR | THR | ARG | PRO | ||||
| 10 | PHE | GLU | GLY | ILE | LYS | PRO | GLU | ASN | GLU | ARG | ||||
| 11 | TYR | THR | LEU | HIS | LEU | ASN | VAL | LYS |
Entity 2, LM_ICP1 7 residues - Formula weight is not available
| 1 | GLY | SER | HIS | MET | ILE | ALA | PRO | LEU |
Samples:
sample_1: LM_ICP2, [U-1H; U-15N; U-13C], 1.25 mM; H2O; LM_ICP1 mM; D2O 10%; Sodium phosphate 25 mM; Sodium chloride 50 mM
conditions_1: ionic strength: 75 mM; pH: 4.5; temperature: 294.8 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| CBCACONH | not available | not available | not available |
| HNCACB | not available | not available | not available |
| HNCO | not available | not available | not available |
| HNCACO | not available | not available | not available |
| CCCONH | not available | not available | not available |
| HCCONH | not available | not available | not available |
| HCCH_TOCSY | not available | not available | not available |
| 15N_NOESY_HSQC | not available | not available | not available |
| 13C_NOESY_HSQC | not available | not available | not available |
| 15N_HSQC | not available | not available | not available |
Software:
ANSIG v3.3, . - assignment
ANALYSIS v1.0, . - assignment
CCPN formatConverter v1.0, . - conversion
AZARA v2.7, . - processing
NMR spectrometers:
- Bruker/Oxford Avance 600 MHz
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts