BMRB Entry 18599
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18599
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Title: Solution structure of CCP modules 11-12 of complement factor H PubMed: 23017427
Deposition date: 2012-07-18 Original release date: 2012-10-18
Authors: Makou, Elisavet; Mertens, Haydyn; Maciejewski, Mateusz; Soares, Dinesh; Matis, Ilias; Schmidt, Christoph; Herbert, Andrew; Svergun, Dmitri; Barlow, Paul; Herbert, C
Citation: Makou, Elisavet; Mertens, Haydyn; Maciejewski, Mateusz; Soares, Dinesh; Matis, Ilias; Schmidt, Christoph; Herbert, Andrew; Svergun, Dmitri; Barlow, Paul. "Solution structure of CCP modules 10-12 illuminates functional architecture of the complement regulator, factor H." J. Mol. Biol. 424, 295-312 (2012).
Assembly members:
FH11-12, polymer, 127 residues, 14085.6893 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: KOMAGATAELLA PASTORIS
Entity Sequences (FASTA):
FH11-12: EAEAAGVQSCGPPPELLNGN
VKEKTKEEYGHSEVVEYYCN
PRFLMKGPNKIQCVDGEWTT
LPVCIVEESTCGDIPELEHG
WAQLSSPPYYYGDSVEFNCS
ESFTMIGHRSITCIHGVWTQ
LPQCVAI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 550 |
| 15N chemical shifts | 125 |
| 1H chemical shifts | 839 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | FH11-12 | 1 |
Entities:
Entity 1, FH11-12 127 residues - 14085.6893 Da.
| 1 | GLU | ALA | GLU | ALA | ALA | GLY | VAL | GLN | SER | CYS | ||||
| 2 | GLY | PRO | PRO | PRO | GLU | LEU | LEU | ASN | GLY | ASN | ||||
| 3 | VAL | LYS | GLU | LYS | THR | LYS | GLU | GLU | TYR | GLY | ||||
| 4 | HIS | SER | GLU | VAL | VAL | GLU | TYR | TYR | CYS | ASN | ||||
| 5 | PRO | ARG | PHE | LEU | MET | LYS | GLY | PRO | ASN | LYS | ||||
| 6 | ILE | GLN | CYS | VAL | ASP | GLY | GLU | TRP | THR | THR | ||||
| 7 | LEU | PRO | VAL | CYS | ILE | VAL | GLU | GLU | SER | THR | ||||
| 8 | CYS | GLY | ASP | ILE | PRO | GLU | LEU | GLU | HIS | GLY | ||||
| 9 | TRP | ALA | GLN | LEU | SER | SER | PRO | PRO | TYR | TYR | ||||
| 10 | TYR | GLY | ASP | SER | VAL | GLU | PHE | ASN | CYS | SER | ||||
| 11 | GLU | SER | PHE | THR | MET | ILE | GLY | HIS | ARG | SER | ||||
| 12 | ILE | THR | CYS | ILE | HIS | GLY | VAL | TRP | THR | GLN | ||||
| 13 | LEU | PRO | GLN | CYS | VAL | ALA | ILE |
Samples:
13C15NFH11-12: FH11-12, [U-13C; U-15N], 0.65 mM; H2O 90%; D2O, [U-2H], 10%
sample_new_1: FH11-12, [U-13C; U-15N], 0.650 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 0.020 M; pH: 6.300; pressure: 1.000 atm; temperature: 298.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC/HMQC | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| CbCaNH (h{CA|Cca}NH) | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| HbHaNH (H{ca|cca}NH) | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| hsqcCH_CT (ct.H[C[{c(2n)|c(2n+1)}]]) | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| c_cconh (hC_cacoNH.relayed) | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| hsqcCH_arom (H[C[caro]]) | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| hbcbcgcdhd (hbCBcgcdHD) | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| hbcbcgcdcehe (hbCBcgcdHD) | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| 3D HNCO | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| HNCACO_CORRECT (H[N[ca[CO]]]) | 13C15NFH11-12 | isotropic | sample_conditions_1 |
| CBCACONH | sample_new_1 | solution | sample_conditions_1 |
Software:
AZARA v2.0, W. Boucher - Processing
AutoDep v4.3, PDBe - collection
CNS v1.2, BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN - Refinement
CYANA v2.1, P. Guntert, C. Mumenthaler and K. Wuthrich - Structure calculation
ANALYSIS v2.0, CCPN - Chemical shift assignment
Molmol v2K. 2, R. Koradi, M. Billeter and W. Wuthrich - Data analysis
ProcheckNMR v3.4.3, R.A. Laskowski, M.W. MacArthur, D.S. Moss and J.M. Thornton - Data analysis
TOPSPIN v1.3, Bruker Biospin - Collection
NMR spectrometers:
- Bruker 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