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Found 1 Document (2.559 seconds)

BMRB: 18321

2LQN

Solution structure of CRKL

Authors

Jankowski, W., Saleh, T., Kalodimos, C.

Assembly

CRKL

Entity

1. CRKL (polymer), 303 monomers, 33776.56 Da Detail

MSSARFDSSD RSAWYMGPVS RQEAQTRLQG QRHGMFLVRD SSTCPGDYVL SVSENSRVSH YIINSLPNRR FKIGDQEFDH LPALLEFYKI HYLDTTTLIE PAPRYPSPPM GSVSAPNLPT AEDNLEYVRT LYDFPGNDAE DLPFKKGEIL VIIEKPEEQW WSARNKDGRV GMIPVPYVEK LVRSSPHGKH GNRNSNSYGI PEPAHAYAQP QTTTPLPAVS GSPGAAITPL PSTQNGPVFA KAIQKRVPCA YDKTALALEV GDIVKVTRMN INGQWEGEVN GRKGLFPFTH VKIFDPQNPD ENE

Formula weight

33776.56 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.0 %, Completeness: 63.0 %, Completeness (bb): 83.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	63.0 % (2214 of 3512)	55.8 % (1026 of 1839)	68.8 % (941 of 1368)	81.0 % (247 of 305)
Backbone	83.6 % (1470 of 1758)	78.7 % (470 of 597)	84.9 % (754 of 888)	90.1 % (246 of 273)
Sidechain	48.4 % (986 of 2036)	44.5 % (553 of 1242)	56.7 % (432 of 762)	3.1 % (1 of 32)
Aromatic	4.2 % (12 of 286)	8.4 % (12 of 143)	0.0 % (0 of 139)	0.0 % (0 of 4)
Methyl	67.2 % (195 of 290)	67.6 % (98 of 145)	66.9 % (97 of 145)

1. entity

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	0.3 ~ 0.8 mM
2	sodium chloride	natural abundance	0.3 ~ 0.8 mM
3	beta-mercaptoethanol	[U-13C; U-15N; U-2H]	0.3 ~ 0.8 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

Protein Blocks Logo

Calculated from 6 models in PDB: 2LQN, Strand ID: A Detail

Release date

2012-08-28

Citation

Domain organization differences explain Bcr-Abl's preference for CrkL over CrkII
Jankowski, W., Saleh, T., Pai, M., Sriram, G., Birge, R., Kalodimos, C.
Nat. Chem. Biol. (2012), 8, 590-596, PubMed 22581121 , DOI 10.1038/nchembio.954 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 18333 released on 2012-08-28
Title Solution structure of phosphorylated CRKL

Related entities 1. CRKL, : 1 : 2 : 1 : 24 entities Detail

Interaction partners 1. CRKL, : 59 interactors Detail

More details for 59 interactors identified by 30 citations

Experiments performed 1 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18321_2lqn.nef
Input source #2: Coordindates	2lqn.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
MSSARFDSSDRSAWYMGPVSRQEAQTRLQGQRHGMFLVRDSSTCPGDYVLSVSENSRVSHYIINSLPNRRFKIGDQEFDHLPALLEFYKIHYLDTTTLIE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSSARFDSSDRSAWYMGPVSRQEAQTRLQGQRHGMFLVRDSSTCPGDYVLSVSENSRVSHYIINSLPNRRFKIGDQEFDHLPALLEFYKIHYLDTTTLIE

-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
PAPRYPSPPMGSVSAPNLPTAEDNLEYVRTLYDFPGNDAEDLPFKKGEILVIIEKPEEQWWSARNKDGRVGMIPVPYVEKLVRSSPHGKHGNRNSNSYGI
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PAPRYPSPPMGSVSAPNLPTAEDNLEYVRTLYDFPGNDAEDLPFKKGEILVIIEKPEEQWWSARNKDGRVGMIPVPYVEKLVRSSPHGKHGNRNSNSYGI

-------210-------220-------230-------240-------250-------260-------270-------280-------290-------300
PEPAHAYAQPQTTTPLPAVSGSPGAAITPLPSTQNGPVFAKAIQKRVPCAYDKTALALEVGDIVKVTRMNINGQWEGEVNGRKGLFPFTHVKIFDPQNPD
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PEPAHAYAQPQTTTPLPAVSGSPGAAITPLPSTQNGPVFAKAIQKRVPCAYDKTALALEVGDIVKVTRMNINGQWEGEVNGRKGLFPFTHVKIFDPQNPD

---
ENE
|||
ENE

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	303	0	0	100.0

Content subtype: combined_18321_2lqn.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1984		93.4 (chain: A, length: 303)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	4476 (1)	noe	91.7 (chain: A, length: 303)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_5	OK	183 (183)	.	41.9 (chain: A, length: 303)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 303, Sequence coverage: 93.4%
- Total number of assignments
  - ¹H chemical shifts: 870
  - ¹³C chemical shifts: 882
  - ¹⁵N chemical shifts: 232
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
32	ARG	HH21	1.6396
228	THR	HG1	1.1583
267	THR	HG1	1.0735
289	THR	HG1	0.6826

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1839	865	47.0
¹³C chemical shifts	1368	882	64.5
¹⁵N chemical shifts	323	232	71.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	597	429	71.9
¹³C chemical shifts	606	478	78.9
¹⁵N chemical shifts	273	232	85.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1242	436	35.1
¹³C chemical shifts	762	404	53.0
¹⁵N chemical shifts	50	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	151	85	56.3
¹³C chemical shifts	151	89	58.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	143	0	0.0
¹³C chemical shifts	139	0	0.0
¹⁵N chemical shifts	4	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 303, Sequence coverage: 91.7%
- Total number of restraints: 4471
- Weight of restraints: 1.0 (4471)
- Potential type of restraints: square-well-parabolic (4471)
- Range of distance target values: 2.16, 4.2 (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

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 303, Sequence coverage: 41.9%
- Total number of restraints: 183
- Total number of restraints per polymer type: 183
- Weight of restraints: 1.0 (183)
- Potential type of restraints: square-well-parabolic (183)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue

Keywords CRKL, SH2, SH3, v-crk sarcoma virus CT10 oncogene homolog (avian)-like

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Found 1 Document (2.559 seconds)

BMRB: 18321

Sample

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. CRKL, : 1 : 2 : 1 : 24 entities Detail

Interaction partners 1. CRKL, : 59 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

NMR combined restraints 4 contents Detail