BMRB Entry 18599

Name: Solution structure of CCP modules 11-12 of complement factor H
Published: 2012-10-18

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PDB ID: 4b2s
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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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of CCP modules 11-12 of complement factor H

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:

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).
PubMed: 23017427

Assembly members:

Assembly members:
FH11-12, polymer, 127 residues, 14085.6893 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: KOMAGATAELLA PASTORIS Vector: pPICZaB

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FH11-12: EAEAAGVQSCGPPPELLNGN VKEKTKEEYGHSEVVEYYCN PRFLMKGPNKIQCVDGEWTT LPVCIVEESTCGDIPELEHG WAQLSSPPYYYGDSVEFNCS ESFTMIGHRSITCIHGVWTQ LPQCVAI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	550
15N chemical shifts	125
1H chemical shifts	839

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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

GLY

VAL

GLN

SER

CYS

2

GLY

PRO

GLU

LEU

ASN

GLY

ASN

3

VAL

LYS

GLU

LYS

THR

LYS

GLU

TYR

GLY

4

HIS

SER

GLU

VAL

GLU

TYR

CYS

ASN

5

PRO

ARG

PHE

LEU

MET

LYS

GLY

PRO

ASN

LYS

6

ILE

GLN

CYS

VAL

ASP

GLY

GLU

TRP

THR

7

LEU

PRO

VAL

CYS

ILE

VAL

GLU

SER

THR

8

CYS

GLY

ASP

ILE

PRO

GLU

LEU

GLU

HIS

GLY

9

TRP

ALA

GLN

LEU

SER

PRO

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

UniProt	CFAH_HUMAN
PDB	4B2S
AlphaFold	Q9NU86