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Found 1 Document (1.353 seconds)

BMRB: 17382

2L7W

Solution structure of the human Raf-1 kinase inhibitor protein

Authors

Yi, C.Y.

Assembly

Raf-1 kinase inhibitor protein

Entity

1. Raf-1 kinase inhibitor protein (polymer), 187 monomers, 21056.51 Da Detail

MPVDLSKWSG PLSLQEVDEQ PQHPLHVTYA GAAVDELGKV LTPTQVKNRP TSISWDGLDS GKLYTLVLTD PDAPSRKDPK YREWHHFLVV NMKGNDISSG TVLSDYVGSG PPKGTGLHRY VWLVYEQDRP LKCDEPILSN RSGDHRGKFK VASFRKKYEL RAPVAGTCYQ AEWDDYVPKL YEQLSGK

Formula weight

21056.51 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.5 %, Completeness: 90.1 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.1 % (1973 of 2190)	90.5 % (1035 of 1144)	88.2 % (757 of 858)	96.3 % (181 of 188)
Backbone	98.8 % (1079 of 1092)	97.9 % (366 of 374)	99.1 % (541 of 546)	100.0 % (172 of 172)
Sidechain	83.9 % (1065 of 1270)	86.9 % (669 of 770)	80.0 % (387 of 484)	56.3 % (9 of 16)
Aromatic	10.3 % (20 of 194)	20.6 % (20 of 97)	0.0 % (0 of 92)	0.0 % (0 of 5)
Methyl	99.5 % (185 of 186)	98.9 % (92 of 93)	100.0 % (93 of 93)

1. Raf-1 kinase inhibitor protein

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 4.0

#	Name	Isotope labeling	Concentration
1	Raf-1 kinase inhibitor protein	[U-100% 13C; U-100% 15N]	3 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: -0.94 ppm, Outliers: 4 Detail

LACS Plot; CB

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

Referencing offset: -0.94 ppm, Outliers: 4 Detail

LACS Plot; HA

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

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.49 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L7W, Strand ID: A Detail

Release date

2011-02-14

Citation

1H, 13C, 15N backbone and side-chain resonance assignments of the human Raf-1 kinase inhibitor protein
Yi, C., Peng, Y., Guo, C., Lin, D.
Biomol. NMR Assign. (2011), 5, 63-66, PubMed 20924725 , DOI 10.1007/s12104-010-9268-z , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16992 released on 2010-10-13
Title 1H,13C,15N backbone and sidechain assignment of human Raf kinase inhibitor protein from Escherichia coli

Related entities 1. Raf-1 kinase inhibitor protein, : 1 : 5 : 1 : 103 entities Detail

Interaction partners 1. Raf-1 kinase inhibitor protein, : 20 interactors Detail

More details for 20 interactors identified by 10 citations

Experiments performed 2 experiments Detail

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_17382_2l7w.nef
Input source #2: Coordindates	2l7w.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MPVDLSKWSGPLSLQEVDEQPQHPLHVTYAGAAVDELGKVLTPTQVKNRPTSISWDGLDSGKLYTLVLTDPDAPSRKDPKYREWHHFLVVNMKGNDISSG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MPVDLSKWSGPLSLQEVDEQPQHPLHVTYAGAAVDELGKVLTPTQVKNRPTSISWDGLDSGKLYTLVLTDPDAPSRKDPKYREWHHFLVVNMKGNDISSG

-------110-------120-------130-------140-------150-------160-------170-------180-------
TVLSDYVGSGPPKGTGLHRYVWLVYEQDRPLKCDEPILSNRSGDHRGKFKVASFRKKYELRAPVAGTCYQAEWDDYVPKLYEQLSGK
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
TVLSDYVGSGPPKGTGLHRYVWLVYEQDRPLKCDEPILSNRSGDHRGKFKVASFRKKYELRAPVAGTCYQAEWDDYVPKLYEQLSGK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	187	0	0	100.0

Content subtype: combined_17382_2l7w.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1989		99.5 (chain: A, length: 187)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	2141 (1)	noe	99.5 (chain: A, length: 187)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 187, Sequence coverage: 99.5%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MPVDLSKWSGPLSLQEVDEQPQHPLHVTYAGAAVDELGKVLTPTQVKNRPTSISWDGLDSGKLYTLVLTDPDAPSRKDPKYREWHHFLVVNMKGNDISSG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MPVDLSKWSGPLSLQEVDEQPQHPLHVTYAGAAVDELGKVLTPTQVKNRPTSISWDGLDSGKLYTLVLTDPDAPSRKDPKYREWHHFLVVNMKGNDISSG

-------110-------120-------130-------140-------150-------160-------170-------180-------
TVLSDYVGSGPPKGTGLHRYVWLVYEQDRPLKCDEPILSNRSGDHRGKFKVASFRKKYELRAPVAGTCYQAEWDDYVPKLYEQLSGK
|||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
TVLSDYVGSG.PKGTGLHRYVWLVYEQDRPLKCDEPILSNRSGDHRGKFKVASFRKKYELRAPVAGTCYQAEWDDYVPKLYEQLSGK

Total number of assignments
- ¹H chemical shifts: 1053
- ¹³C chemical shifts: 755
- ¹⁵N chemical shifts: 181

Completeness of assignments

Entity_assemble_ID: A

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
44	THR	HG1	4.761
65	THR	HG1	4.973
115	THR	HG1	4.766
145	HIS	HD1	7.257
148	LYS	HZ1	6.917
148	LYS	HZ2	6.917
148	LYS	HZ3	6.917
150	LYS	HZ1	7.025
150	LYS	HZ2	7.025
150	LYS	HZ3	7.025
157	LYS	HZ1	6.758
157	LYS	HZ2	6.758
157	LYS	HZ3	6.758

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1144	1039	90.8
¹³C chemical shifts	858	755	88.0
¹⁵N chemical shifts	197	181	91.9

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	374	372	99.5
¹³C chemical shifts	374	369	98.7
¹⁵N chemical shifts	172	172	100.0

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	770	667	86.6
¹³C chemical shifts	484	386	79.8
¹⁵N chemical shifts	25	9	36.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	95	94	98.9
¹³C chemical shifts	95	93	97.9

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	97	14	14.4
¹³C chemical shifts	92	0	0.0
¹⁵N chemical shifts	5	0	0.0

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: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 187, Sequence coverage: 99.5%
- Total number of restraints: 2141
- Weight of restraints: 1.0 (2141)
- Potential type of restraints: square-well-parabolic (2141)
- Range of distance target values: 1.46, 3.55 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords Raf-1 kinase inhibitor protein

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Found 1 Document (1.353 seconds)

BMRB: 17382

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Raf-1 kinase inhibitor protein, : 1 : 5 : 1 : 103 entities Detail

Interaction partners 1. Raf-1 kinase inhibitor protein, : 20 interactors Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

NMR combined restraints 3 contents Detail