BMRB Entry 15418

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PDB ID: 2jtt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15418
MolProbity Validation Chart

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Title:
NMR structure of the S100A6 dimer in complex with a binding fragment of the Siah-1 interacting protein
Deposition date:
2007-08-06
Original release date:
2008-10-29
Authors:
Lee, Young-Tae; Chazin, Walter
Citation:

Citation: Lee, Young-Tae; Dimitrova, Yoana; Schneider, Gabriela; Ridenour, Whitney; Bhattacharya, Shibani; Soss, Sarah; Caprioli, Richard; Filipek, Anna; Chazin, Walter. "Structure of the S100A6 complex with a fragment from the C-terminal domain of Siah-1 interacting protein: a novel mode for S100 protein target recognition"  Biochemistry 47, 10921-10932 (2008).
PubMed: 18803400

Assembly members:

Assembly members:
S100A6, polymer, 90 residues, 10168.827 Da.
SIP(189-219), polymer, 35 residues, 3648.154 Da.

Natural source:

Natural source:   Common Name: rabbit   Taxonomy ID: 9986   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Oryctolagus cuniculus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET1120

Entity Sequences (FASTA):

Entity Sequences (FASTA):
S100A6: MASPLDQAIGLLIGIFHKYS GKEGDKHTLSKKELKELIQK ELTIGSKLQDAEIVKLMDDL DRNKDQEVNFQEYITFLGAL AMIYNEALKG
SIP(189-219): GPGSSEGLMNVLKKIYEDGD DDMKRTINKAWVESR

Data sets:
Data typeCount
13C chemical shifts295
15N chemical shifts113
1H chemical shifts391

Additional metadata:

  • Assembly
  • Samples and Experiments
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Assembly:

Entity Assembly IDEntity NameEntity ID
1protein, 11
2protein, 21
3peptide, 12
4peptide, 22

Entities:

Entity 1, protein, 1 90 residues - 10168.827 Da.

1   METALASERPROLEUASPGLNALAILEGLY
2   LEULEUILEGLYILEPHEHISLYSTYRSER
3   GLYLYSGLUGLYASPLYSHISTHRLEUSER
4   LYSLYSGLULEULYSGLULEUILEGLNLYS
5   GLULEUTHRILEGLYSERLYSLEUGLNASP
6   ALAGLUILEVALLYSLEUMETASPASPLEU
7   ASPARGASNLYSASPGLNGLUVALASNPHE
8   GLNGLUTYRILETHRPHELEUGLYALALEU
9   ALAMETILETYRASNGLUALALEULYSGLY

Entity 2, peptide, 1 35 residues - 3648.154 Da.

First 4 residues (GPGS) represents residual tag.

1   GLYPROGLYSERSERGLUGLYLEUMETASN
2   VALLEULYSLYSILETYRGLUASPGLYASP
3   ASPASPMETLYSARGTHRILEASNLYSALA
4   TRPVALGLUSERARG

Related Database Links:

BMRB 4430
PDB 1A03 1CNP 1JWD 2CNP 2JTT
DBJ BAA01707 BAE01932 BAG36086 BAG52713
REF NP_001182671 NP_001004208 NP_001007215 NP_001029981 NP_001127554 NP_001253590
SP P30801 Q3T168 Q4R4P3 Q5R6Z8 Q6AYK6 Q9CXW3
EMBL CAA22910 CAH92462
GB AAC16757 AAC21458 AAG34170 AAH05975 AAH22352
TPG DAA21139
AlphaFold P30801 Q3T168 Q4R4P3 Q5R6Z8 Q6AYK6 Q9CXW3

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SPARKY: Backbone or all simulated peaks