BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	41.5 % (228 of 549)	15.9 % (45 of 283)	65.6 % (139 of 212)	81.5 % (44 of 54)
Backbone	78.3 % (224 of 286)	45.5 % (45 of 99)	95.8 % (136 of 142)	95.6 % (43 of 45)
Sidechain	13.7 % (42 of 307)	0.0 % (0 of 184)	36.8 % (42 of 114)	0.0 % (0 of 9)
Aromatic	0.0 % (0 of 30)	0.0 % (0 of 15)	0.0 % (0 of 14)	0.0 % (0 of 1)
Methyl	4.7 % (3 of 64)	0.0 % (0 of 32)	9.4 % (3 of 32)

1. VcChi LysM

MGCTYTIQPG DTFWAIAQRR GTTVDVIQSL NPGVNPARLQ VGQVINVPC

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	VcChi LysM	[U-100% 13C; U-100% 15N]	protein	194 uM
2	sodium acetate	natural abundance	buffer	20 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

LACS Plot; CA

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

Referencing offset: 2.6 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 2.6 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 2.89 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5YZK, Strand ID: A Detail

Release date

2016-06-22

Citation

Chitin oligosaccharide binding to the lysin motif of a novel type of chitinase from the multicellular green alga, Volvox carteri
Kitaoku, Y., Fukamizo, T., Numata, T., Ohnuma, T.
Plant Mol. Biol. (2017), 93, 97-108, PubMed 27807643 , DOI 10.1007/s11103-016-0549-5 , Abstract

Related entities 1. second LysM domain from Volvox carteri chitinase, : 1 : 1 : 1 : 166 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr12002_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)
1:3:CYS:SG	1:49:CYS:SG	oxidized, CA 56.099, CB 42.904 ppm	oxidized, CA 53.054, CB 39.273 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr12002_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	230		100.0 (chain: 1, length: 49)
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: 49, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 142
  - ¹H chemical shifts: 44
  - ¹⁵N chemical shifts: 44
- 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	33	3	9.1
¹H chemical shifts	33	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	212	142	67.0
¹H chemical shifts	283	44	15.5
¹⁵N chemical shifts	57	44	77.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	98	98	100.0
¹H chemical shifts	99	44	44.4
¹⁵N chemical shifts	45	44	97.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	114	44	38.6
¹H chemical shifts	184	0	0.0
¹⁵N chemical shifts	12	0	0.0

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BMRB: 12002

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. second LysM domain from Volvox carteri chitinase, : 1 : 1 : 1 : 166 entities Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail