BMRB Entry 18230
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PDB ID: 2lp2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18230
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Title: Solution structure and dynamics of human S100A1 protein modified at cysteine 85 with homocysteine disulfide bond formation in calcium saturated form. PubMed: 23351007
Deposition date: 2012-01-31 Original release date: 2013-02-18
Authors: Nowakowski, Michal; Jaremko, Lukasz; Jaremko, Mariusz; Zdanowski, Konrad; Ejchart, Andrzej
Citation: Nowakowski, Micha; Ruszczyska-Bartnik, Katarzyna; Budziska, Monika; Jaremko, Lukasz; Jaremko, Mariusz; Zdanowski, Konrad; Bierzyski, Andrzej; Ejchart, Andrzej. "Impact of calcium binding and thionylation of S100A1 protein on its nuclear magnetic resonance-derived structure and backbone dynamics." Biochemistry 52, 1149-1159 (2013).
Assembly members:
S100A1_monomer_1, polymer, 93 residues, 10414.62 Da.
CALCIUM ION, non-polymer, 40.078 Da.
2-AMINO-4-MERCAPTO-BUTYRIC ACID, non-polymer, 135.185 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
S100A1_monomer_1: GSELETAMETLINVFHAHSG
KEGDKYKLSKKELKELLQTE
LSGFLDAQKDVDAVDKVMKE
LDENGDGEVDFQEYVVLVAA
LTVACNNFFWENS
- assigned_chemical_shifts
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| 13C chemical shifts | 349 |
| 15N chemical shifts | 95 |
| 1H chemical shifts | 623 |
| heteronuclear NOE values | 231 |
| T1 relaxation values | 240 |
| T2 relaxation values | 240 |
Additional metadata:
Related Database Links:
| BMRB | 16360 17857 18087 18088 18089 18101 18231 18545 |
| PDB | 2JPT 2L0P 2LHL 2LLS 2LLT 2LLU 2LP2 2LP3 2LUX 2M3W |
| DBJ | BAE90380 BAG35086 BAG70130 BAG70260 |
| EMBL | CAA41107 CAH90674 |
| GB | AAH14392 AAI41992 AAI48020 AAP35584 AAP36328 |
| PRF | 2003367A |
| REF | NP_001092512 NP_001127319 NP_001270255 NP_006262 XP_001111015 |
| SP | P02639 P23297 Q5RC36 |
| TPG | DAA31796 |
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