BMRBj - BMREntryMaster

Found 1 Document (1.37 seconds)

BMRB: 15514

8CW9

Assignment of backbone 1H, 13C and 15N resonances of human IgG1 Fc (51.4 kDa)

Authors

Cocco, M., Rosenfied, R., Lewis, J., Ren, D., Li, L., Remmele, R.L., Brems, D.N.

Assembly

human IgG1 Fc

Entity

1. human IgG1 Fc (polymer, Thiol state: all disulfide bound), 228 monomers, 25678.83 × 2 Da Detail

MDKTHTCPPC PAPELLGGPS VFLFPPKPKD TLMISRTPEV TCVVVDVSHE DPEVKFNWYV DGVEVHNAKT KPREEQYNST YRVVSVLTVL HQDWLNGKEY KCKVSNKALP APIEKTISKA KGQPREPQVY TLPPSRDELT KNQVSLTCLV KGFYPSDIAV EWESNGQPEN NYKTTPPVLD SDGSFFLYSK LTVDKSRWQQ GNVFSCSVMH EALHNHYTQK SLSLSPGK

Total weight

51357.66 Da

Max. entity weight

25678.83 Da

Entity Connection

disulfide 6 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS42:SG	1:CYS102:SG
2	disulfide	sing	1:CYS148:SG	1:CYS206:SG
3	disulfide	sing	1:CYS42:SG	1:CYS102:SG
4	disulfide	sing	1:CYS148:SG	1:CYS206:SG
5	disulfide	sing	1:CYS7:SG	1:CYS7:SG
6	disulfide	sing	1:CYS10:SG	1:CYS10:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.7 %, Completeness: 43.1 %, Completeness (bb): 76.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.1 % (1158 of 2689)	24.1 % (339 of 1406)	58.7 % (618 of 1053)	87.4 % (201 of 230)
Backbone	76.5 % (1013 of 1324)	52.3 % (232 of 444)	86.5 % (583 of 674)	96.1 % (198 of 206)
Sidechain	21.4 % (338 of 1583)	11.1 % (107 of 962)	38.2 % (228 of 597)	12.5 % (3 of 24)
Aromatic	1.8 % (4 of 218)	3.7 % (4 of 109)	0.0 % (0 of 105)	0.0 % (0 of 4)
Methyl	19.5 % (44 of 226)	17.7 % (20 of 113)	21.2 % (24 of 113)

1. IgG1 Fc

Show sample condition

Sample

Pressure 1 atm, Temperature 302 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	IgG1 Fc	[U-13C; U-15N; U-2H]		2.5 mM
2	sodium acetate			10 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methylene protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 0.73 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methylene protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 0.73 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methylene protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 0.72 ppm, Outliers: 1 Detail

Release date

2008-01-27

Citation

Assignment of backbone (1)H, (13)C and (15)N resonances of human IgG1 Fc (51.4 kDa)
Liu, D., Cocco, M.J., Rosenfied, R., Lewis, J.K., Ren, D., Li, L., Remmele, R.L., Brems, D.N.
Biomol. NMR Assign. (2007), 1, 233-235, PubMed 19636873 , DOI 10.1007/s12104-007-9065-5 , Abstract

Related entities 1. human IgG1 Fc, : 1 : 62 : 127 entities Detail

Interaction partners 1. human IgG1 Fc, : 47 interactors Detail

More details for 47 interactors identified by 17 citations

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15514_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:42:CYS:SG	1:102:CYS:SG	oxidized, CA 53.423, CB 43.433 ppm	oxidized, CA 60.658, CB 33.961 ppm	n/a
1:148:CYS:SG	1:206:CYS:SG	oxidized, CA 53.409, CB 41.728 ppm	oxidized, CA 52.283, CB 40.495 ppm	n/a
2:42:CYS:SG	2:102:CYS:SG	unknown	unknown	n/a
2:148:CYS:SG	2:206:CYS:SG	unknown	unknown	n/a
1:7:CYS:SG	2:7:CYS:SG	oxidized, CA 53.219, CB 39.952 ppm	unknown	n/a
1:10:CYS:SG	2:10:CYS:SG	oxidized, CA 52.794, CB 37.682 ppm	unknown	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr15514_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	963		94.3 (chain: 1, length: 228)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 228, Sequence coverage: 94.3%
- Total number of assignments
  - ¹³C chemical shifts: 573
  - ¹H chemical shifts: 195
  - ¹⁵N chemical shifts: 195
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	1053	573	54.4
¹H chemical shifts	1406	195	13.9
¹⁵N chemical shifts	236	195	82.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	456	385	84.4
¹H chemical shifts	444	195	43.9
¹⁵N chemical shifts	206	195	94.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	597	188	31.5
¹H chemical shifts	962	0	0.0
¹⁵N chemical shifts	30	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	116	7	6.0
¹H chemical shifts	116	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	105	0	0.0
¹H chemical shifts	109	0	0.0
¹⁵N chemical shifts	4	0	0.0

Keywords assignment, Fc, IgG1, NMR

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (1.37 seconds)

BMRB: 15514

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. human IgG1 Fc, : 1 : 62 : 127 entities Detail

Interaction partners 1. human IgG1 Fc, : 47 interactors Detail

Experiments performed 6 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail