BMRBj - BMREntryMaster

Found 1 Document (2.805 seconds)

BMRB: 4162

1QZ1

1H, 13C and 15N Resonance Assignment of the Neural Cell Adhesion Molecule Module-1

Authors

Jensen, P.H., Thomsen, N.K., Soroka, V., Berezin, V., Bock, E., Poulsen, F.M.

Assembly

Neural cell adhesion molecule module 1

Entity

1. Neural cell adhesion molecule module 1 (polymer, Thiol state: all disulfide bound), 99 monomers, 10855.88 Da Detail

RVLQVDIVPS QGEISVGESK FFLCQVAGDA KDKDISWFSP NGEKLSPNQQ RISVVWNDDD SSTLTIYNAN IDDAGIYKCV VTAEDGTQSE ATVNVKIFQ

Formula weight

10855.88 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS24:SG	1:CYS79:SG

Source organism

Komagataella pastoris

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.8 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.8 % (1061 of 1119)	99.7 % (574 of 576)	87.3 % (377 of 432)	99.1 % (110 of 111)
Backbone	98.1 % (577 of 588)	99.5 % (200 of 201)	96.6 % (281 of 291)	100.0 % (96 of 96)
Sidechain	91.5 % (571 of 624)	99.7 % (374 of 375)	78.2 % (183 of 234)	93.3 % (14 of 15)
Aromatic	52.5 % (42 of 80)	100.0 % (40 of 40)	0.0 % (0 of 38)	100.0 % (2 of 2)
Methyl	95.6 % (109 of 114)	100.0 % (57 of 57)	91.2 % (52 of 57)

1. Neural cell adhesion molecule module 1

RVLQVDIVPS QGEISVGESK FFLCQVAGDA KDKDISWFSP NGEKLSPNQQ RISVVWNDDD SSTLTIYNAN IDDAGIYKCV VTAEDGTQSE ATVNVKIFQ

Show sample condition

Sample #1

Temperature 298 K, pH 6.0

#	Name	Concentration
1	Neural cell adhesion molecule module 1	2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Concentration
4	Neural cell adhesion molecule module 1	[U-15N]	1.0 mM
5	H2O		90 %
6	D2O		10 %

Sample #3

Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Concentration
7	Neural cell adhesion molecule module 1	[U-15N; U-13C]	1.0 mM
8	H2O		90 %
9	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	na	na	null	null
¹H	DSS	methyl	internal	direct
¹⁵N	na	na	null	null

Referencing offset: 0.2 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	na	na	null	null
¹H	DSS	methyl	internal	direct
¹⁵N	na	na	null	null

Referencing offset: 0.2 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	na	na	null	null
¹H	DSS	methyl	internal	direct
¹⁵N	na	na	null	null

Referencing offset: 0.06 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	na	na	null	null
¹H	DSS	methyl	internal	direct
¹⁵N	na	na	null	null

Referencing offset: -0.27 ppm, Outliers: 3 Detail

Release date

2000-03-07

Citation

1H, 13C and 15N Resonance Assignment of the Neural Cell Adhesion Molecule Module-1
Jensen, P.H., Thomsen, N.K., Soroka, V., Berezin, V., Bock, E., Poulsen, F.M.
J. Biomol. NMR (1999), 14, 185-186, PubMed , DOI:

Related entities 1. Neural cell adhesion molecule module 1, : 2 : 2 : 4 : 269 entities Detail

Interaction partners 1. Neural cell adhesion molecule module 1, : 12 interactors Detail

More details for 12 interactors identified by 9 citations

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4162_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)
1:24:CYS:SG	1:79:CYS:SG	oxidized, CA 53.23, CB 40.78 ppm	oxidized, CA 52.27, CB 43.63 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr4162_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	1180		100.0 (chain: 1, length: 99)
1	Chemical shift references	chemical_shift_reference_one	Warning	1		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 99, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 691
  - ¹³C chemical shifts: 377
  - ¹⁵N chemical shifts: 112
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
20	LYS	HZ1	9.9
20	LYS	HZ2	9.9
20	LYS	HZ3	9.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	576	574	99.7
¹³C chemical shifts	432	377	87.3
¹⁵N chemical shifts	113	112	99.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	201	200	99.5
¹³C chemical shifts	198	194	98.0
¹⁵N chemical shifts	96	96	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	375	374	99.7
¹³C chemical shifts	234	183	78.2
¹⁵N chemical shifts	17	16	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	57	57	100.0
¹³C chemical shifts	57	52	91.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	40	100.0
¹³C chemical shifts	38	0	0.0
¹⁵N chemical shifts	2	2	100.0

Keywords M1, Module 1, NCAM, Neural Cell Adhesion Molecule, NMR, nuclear magnetic resonance, protein

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Found 1 Document (2.805 seconds)

BMRB: 4162

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Neural cell adhesion molecule module 1, : 2 : 2 : 4 : 269 entities Detail

Interaction partners 1. Neural cell adhesion molecule module 1, : 12 interactors Detail

Chemical shift validation 3 contents Detail