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Found 1 Document (1.421 seconds)

BMRB: 4022

6G3V

Sequential NMR Assignment of 1H, 13C, and 15N Resonances of Human Carbonic Anhydrase I (HCAI) by Triple-Resonance NMR Techniques and Extensive Amino Acid Specific 15N Labeling

Authors

Sethson, I., Edlund, U., Holak, T.A., Ross, A., Jonsson, B.

Assembly

human carbonic anhydrase I

Entity

1. human carbonic anhydrase I (polymer), 260 monomers, 28738.63 Da Detail

ASPDWGYDDK NGPEQWSKLY PIANGNNQSP VDIKTSETKH DTSLKPISVS YNPATAKEII NVGHSFHVNF EDNDNRSVLK GGPFSDSYRL FQFHFHWGST NEHGSEHTVD GVKYSAELHV AHWNSAKYSS LAEAASKADG LAVIGVLMKV GEANPKLQKV LDALQAIKTK GKRAPFTNFD PSTLLPSSLD FWTYPGSLTH PPLYESVTWI ICKESISVSS EQLAQFRSLL SNVEGDNAVP MQHNNRPTQP LKGRTVRASF

Formula weight

28738.63 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.6 %, Completeness: 62.7 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	62.7 % (1879 of 2997)	55.1 % (856 of 1553)	66.8 % (781 of 1169)	88.0 % (242 of 275)
Backbone	98.3 % (1500 of 1526)	98.8 % (513 of 519)	97.5 % (745 of 764)	99.6 % (242 of 243)
Sidechain	36.2 % (621 of 1715)	33.3 % (344 of 1034)	42.7 % (277 of 649)	0.0 % (0 of 32)
Aromatic	0.0 % (0 of 290)	0.0 % (0 of 145)	0.0 % (0 of 139)	0.0 % (0 of 6)
Methyl	26.4 % (67 of 254)	25.2 % (32 of 127)	27.6 % (35 of 127)

1. human carbonic anhydrase I

Show sample condition

Sample #1

Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	human carbonic anhydrase I	[U-15N]	0.8 mM
2	D2O		5 %
3	H2O		95 %
4	phosphate buffer		40 mM

Sample #2

Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
5	human carbonic anhydrase I	[U-13C]	0.8 mM
6	D2O		5 %
7	H2O		95 %
8	phosphate buffer		40 mM

Sample #3

Temperature 303 K, pH 6.2, Details 15N residue selective labeling of the following amino acids: Ala,Gly, His, Ile, Leu, Lys, Phe, Ser, Trp and Val listed below

#	Name	Isotope labeling	Concentration
9	human carbonic anhydrase I	[15N]-Ala;[15N]-Gly;[15N]-His;[15N]-Ile;[15N]-Leu;[15N]-Lys;[15N]-Phe; [15N]-Ser;[15N]-Trp;[15N]-Val	0.8 mM
10	D2O		5 %
11	H2O		95 %
12	phosphate buffer		40 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	H2O	protons	4.72 ppm	null	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 0.16 ppm, Outliers: 4 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	H2O	protons	4.72 ppm	null	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 0.16 ppm, Outliers: 4 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	H2O	protons	4.72 ppm	null	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	H2O	protons	4.72 ppm	null	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 0.36 ppm, Outliers: 1 Detail

Release date

1999-10-14

Citation

Sequential assignment of 1H, 13C and 15N resonances of human carbonic anhydrase I by triple-resonance NMR techniques and extensive amino acid-specific 15N-labeling
Sethson, I., Edlund, U., Holak, T.A., Ross, A., Jonsson, B.
J. Biomol. NMR (1996), 8, 417-428, PubMed 9008361 , DOI: , Abstract

Related entities 1. human carbonic anhydrase I, : 1 : 38 : 1 : 7 : 251 entities Detail

Interaction partners 1. human carbonic anhydrase I, : 4 interactors Detail

More details for 4 interactors identified by 4 citations

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4022_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr4022_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	1847		99.6 (chain: 1, length: 260)
1	Chemical shift references	chemical_shift_reference_one	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 260, Sequence coverage: 99.6%
- Total number of assignments
  - ¹H chemical shifts: 861
  - ¹⁵N chemical shifts: 243
  - ¹³C chemical shifts: 743
- 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 (%)
¹H chemical shifts	129	18	14.0
¹³C chemical shifts	129	19	14.7

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Found 1 Document (1.421 seconds)

BMRB: 4022

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. human carbonic anhydrase I, : 1 : 38 : 1 : 7 : 251 entities Detail

Interaction partners 1. human carbonic anhydrase I, : 4 interactors Detail

Chemical shift validation 3 contents Detail

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1553	825	53.1
¹⁵N chemical shifts	282	243	86.2
¹³C chemical shifts	1169	743	63.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	519	514	99.0
¹⁵N chemical shifts	243	243	100.0
¹³C chemical shifts	520	502	96.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1034	311	30.1
¹⁵N chemical shifts	39	0	0.0
¹³C chemical shifts	649	241	37.1