BMRBj - BMREntryMaster

Found 1 Document (2.738 seconds)

BMRB: 18333

2LQW

Solution structure of phosphorylated CRKL

Authors

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

Assembly

phosphorylated CRKL

Entity

1. phosphorylated CRKL (polymer), 303 monomers, 33856.54 Da Detail

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

Formula weight

33856.54 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.1 %, Completeness: 57.0 %, Completeness (bb): 74.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	57.0 % (1994 of 3496)	51.5 % (943 of 1831)	58.9 % (802 of 1361)	81.9 % (249 of 304)
Backbone	74.3 % (1302 of 1752)	76.0 % (452 of 595)	68.4 % (605 of 885)	90.1 % (245 of 272)
Sidechain	46.7 % (945 of 2025)	39.7 % (491 of 1236)	59.4 % (450 of 757)	12.5 % (4 of 32)
Aromatic	4.7 % (13 of 278)	9.4 % (13 of 139)	0.0 % (0 of 135)	0.0 % (0 of 4)
Methyl	66.6 % (193 of 290)	65.5 % (95 of 145)	67.6 % (98 of 145)

1. entity

Show sample condition

Sample

Solvent system 90% H2O/10% 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	potassium chloride	natural abundance	0.3 ~ 0.8 mM
3	beta-mercaptoethanol	natural abundance	0.3 ~ 0.8 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2LQW, 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

Related entities 1. phosphorylated CRKL, : 1 : 3 : 24 entities Detail

Interaction partners 1. phosphorylated CRKL, : 59 interactors Detail

More details for 59 interactors identified by 30 citations

Experiments performed 1 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18333_2lqw.nef
Input source #2: Coordindates	2lqw.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:206:ALA:C	1:207:PTR:N	unknown	unknown	n/a
1:207:PTR:C	1:208:ALA:N	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	207	PTR	O-PHOSPHOTYROSINE	Assigned chemical shifts, Distance restraints, Coordinates

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
PEPAHAXAQPQTTTPLPAVSGSPGAAITPLPSTQNGPVFAKAIQKRVPCAYDKTALALEVGDIVKVTRMNINGQWEGEVNGRKGLFPFTHVKIFDPQNPD
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PEPAHAXAQPQTTTPLPAVSGSPGAAITPLPSTQNGPVFAKAIQKRVPCAYDKTALALEVGDIVKVTRMNINGQWEGEVNGRKGLFPFTHVKIFDPQNPD

---
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_18333_2lqw.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1773		90.8 (chain: A, length: 303)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	70 (1)	noe	3.3 (chain: A, length: 303)
2	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	3769 (1)	noe	91.4 (chain: A, length: 303)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_6	OK	176 (176)	.	40.3 (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: 90.8%
- Total number of assignments
  - ¹H chemical shifts: 837
  - ¹³C chemical shifts: 701
  - ¹⁵N chemical shifts: 235
- 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)
39	ARG	HH11	6.8155

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1839	836	45.5
¹³C chemical shifts	1368	701	51.2
¹⁵N chemical shifts	323	235	72.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	597	430	72.0
¹³C chemical shifts	606	271	44.7
¹⁵N chemical shifts	273	235	86.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1242	406	32.7
¹³C chemical shifts	762	430	56.4
¹⁵N chemical shifts	50	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	151	89	58.9
¹³C chemical shifts	151	96	63.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	143	12	8.4
¹³C chemical shifts	139	0	0.0
¹⁵N chemical shifts	4	0	0.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 303, Sequence coverage: 3.3%
- Total number of restraints: 70
- Weight of restraints: 1.0 (70)
- Potential type of restraints: square-well-parabolic (70)
- Range of distance target values: 2.9, 3.65 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_5
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 303, Sequence coverage: 91.4%
  - Total number of restraints: 3769
  - Weight of restraints: 1.0 (3769)
  - Potential type of restraints: square-well-parabolic (3769)
  - Range of distance target values: 2.16, 3.9 (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_6
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 303, Sequence coverage: 40.3%
- Total number of restraints: 176
- Total number of restraints per polymer type: 176
- Weight of restraints: 1.0 (176)
- Potential type of restraints: square-well-parabolic (176)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue

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

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (2.738 seconds)

BMRB: 18333

Sample

Related entities 1. phosphorylated CRKL, : 1 : 3 : 24 entities Detail

Interaction partners 1. phosphorylated CRKL, : 59 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

NMR combined restraints 5 contents Detail