BMRB Entry 17628
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17628
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Title: NMR Structure of Alk1 extracellular domain PubMed: 22799562
Deposition date: 2011-05-06 Original release date: 2012-08-30
Authors: Ilangovan, Udayar
Citation: Mahlawat, Pardeep; Ilangovan, Udayar; Biswas, Tanuka; Sun, Lu-Zhe; Hinck, Andrew. "Structure of the Alk1 extracellular domain and characterization of its bone morphogenetic protein (BMP) binding properties." Biochemistry 51, 6328-6341 (2012).
Assembly members:
Alk1, polymer, 97 residues, 11148.615 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):
Alk1: DPVKPSRGPLVTCTCESPHC
KGPTCRGAWCTVVLVREEGR
HPQEHRGCGNLHRELCRGRP
TEFVNHYCCDSHLCNHNVSL
VLEATQPPSEQPGTDGQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 361 |
| 15N chemical shifts | 84 |
| 1H chemical shifts | 480 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Alk1 | 1 |
Entities:
Entity 1, Alk1 97 residues - 11148.615 Da.
| 1 | ASP | PRO | VAL | LYS | PRO | SER | ARG | GLY | PRO | LEU | ||||
| 2 | VAL | THR | CYS | THR | CYS | GLU | SER | PRO | HIS | CYS | ||||
| 3 | LYS | GLY | PRO | THR | CYS | ARG | GLY | ALA | TRP | CYS | ||||
| 4 | THR | VAL | VAL | LEU | VAL | ARG | GLU | GLU | GLY | ARG | ||||
| 5 | HIS | PRO | GLN | GLU | HIS | ARG | GLY | CYS | GLY | ASN | ||||
| 6 | LEU | HIS | ARG | GLU | LEU | CYS | ARG | GLY | ARG | PRO | ||||
| 7 | THR | GLU | PHE | VAL | ASN | HIS | TYR | CYS | CYS | ASP | ||||
| 8 | SER | HIS | LEU | CYS | ASN | HIS | ASN | VAL | SER | LEU | ||||
| 9 | VAL | LEU | GLU | ALA | THR | GLN | PRO | PRO | SER | GLU | ||||
| 10 | GLN | PRO | GLY | THR | ASP | GLY | GLN |
Samples:
sample_1: Alk1, [U-100% 15N], 0.5 mM; sodium phosphate 25 mM; sodium azide 0.02%; H2O 95%; D2O 5%
sample_2: Alk1, [U-100% 13C; U-100% 15N], 0.5 mM; sodium phosphate 25 mM; sodium azide 0.02%; H2O 95%; D2O 5%
sample_3: Alk1, [U-100% 13C; U-100% 15N], 0.5 mM; sodium phosphate 25 mM; sodium azide 0.02%; Pf1 phage 5mg/mL mg; H2O 95%; D2O 5%
sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 305 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 15N-HSQC IPAP | sample_3 | anisotropic | sample_conditions_1 |
Software:
ARIA, Linge, O, . - structure solution
CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
ModelFree, Palmer - realaxation
Molmol, Koradi, Billeter and Wuthrich - Structure Visualization
PECAN, Eghbalnia, Wang, Bahrami, Assadi, and Markley - chemical shift index calculation
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectral Visualization
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data processing
SPARKY, Goddard - chemical shift assignment
TALOS, Cornilescu, Delaglio and Bax - dihedral angle determination
TOPSPIN, Bruker Biospin - data collection
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker DRX 600 MHz
Related Database Links:
| PDB | |
| EMBL | CAA80255 CAH91180 |
| GB | AAA16160 AAB61900 AAH42637 AAQ02577 ADJ79922 |
| REF | NP_000011 NP_001070869 NP_001125692 XP_001145609 XP_003831124 |
| SP | P37023 Q5RAN0 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts