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Found 1 Document (1.671 seconds)

BMRB: 17974

2LK4

Structural and mechanistic insights into the interaction between PAT Pyk2 and Paxillin LD motif

Authors

Vanarotti, M., Miller, D., Guibao, C., Zheng, J.

Assembly

PAT Pyk2 and Paxillin LD motif

Entity

1. PAT Pyk2 and Paxillin LD motif (polymer, Thiol state: not present), 135 monomers, 14797.90 Da Detail

ANLDRTDDLV YLNVMELVRA VLELKNELSQ LPPEGYVVVV KNVGLTLRKL IGSVDDLLPS LPSSSRTEIE GTQKLLNKDL AELINKMRLA QQNAVTSLSE EAKRQMLTAS HTLAVDAKNL LDAVDQAKVL ANLAH

Formula weight

14797.9 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 90.8 %, Completeness (bb): 86.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.8 % (1408 of 1550)	97.1 % (778 of 801)	80.4 % (485 of 603)	99.3 % (145 of 146)
Backbone	86.9 % (697 of 802)	97.8 % (264 of 270)	75.6 % (303 of 401)	99.2 % (130 of 131)
Sidechain	95.7 % (841 of 879)	96.8 % (514 of 531)	93.7 % (312 of 333)	100.0 % (15 of 15)
Aromatic	50.0 % (12 of 24)	83.3 % (10 of 12)	16.7 % (2 of 12)
Methyl	94.3 % (200 of 212)	98.1 % (104 of 106)	90.6 % (96 of 106)

1. entity

ANLDRTDDLV YLNVMELVRA VLELKNELSQ LPPEGYVVVV KNVGLTLRKL IGSVDDLLPS LPSSSRTEIE GTQKLLNKDL AELINKMRLA QQNAVTSLSE EAKRQMLTAS HTLAVDAKNL LDAVDQAKVL ANLAH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	MES	[U-100% 13C; U-100% 15N]	0.5 ~ 1.0 mM
2	H2O	natural source	90 %
3	D2O	natural source	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	external	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	external	indirect	0.1013291

Referencing offset: 2.82 ppm, Outliers: 6 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	external	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	external	indirect	0.1013291

Referencing offset: 2.82 ppm, Outliers: 6 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	external	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	external	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LK4, Strand ID: A Detail

Release date

2012-10-08

Citation

Structural and mechanistic insights into the interaction between PAT Pyk2 and Paxillin LD motif
Vanarotti, M., Miller, D., Guibao, C., Zheng, J.
Not known

Related entities 1. PAT Pyk2 and Paxillin LD motif, : 1 : 4 : 3 : 37 entities Detail

Interaction partners 1. PAT Pyk2 and Paxillin LD motif, : 31 interactors Detail

More details for 31 interactors identified by 15 citations

Experiments performed 7 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17974_2lk4.nef
Input source #2: Coordindates	2lk4.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
ANLDRTDDLVYLNVMELVRAVLELKNELSQLPPEGYVVVVKNVGLTLRKLIGSVDDLLPSLPSSSRTEIEGTQKLLNKDLAELINKMRLAQQNAVTSLSE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ANLDRTDDLVYLNVMELVRAVLELKNELSQLPPEGYVVVVKNVGLTLRKLIGSVDDLLPSLPSSSRTEIEGTQKLLNKDLAELINKMRLAQQNAVTSLSE

-------110-------120-------130-----
EAKRQMLTASHTLAVDAKNLLDAVDQAKVLANLAH
|||||||||||||||||||||||||||||||||||
EAKRQMLTASHTLAVDAKNLLDAVDQAKVLANLAH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	135	0	0	100.0

Content subtype: combined_17974_2lk4.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1363		99.3 (chain: A, length: 135)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	3516 (1)	noe	99.3 (chain: A, length: 135)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_4	Warning	600 (600)	.	84.4 (chain: A, length: 135)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 135, Sequence coverage: 99.3%
- Total number of assignments
  - ¹H chemical shifts: 782
  - ¹³C chemical shifts: 438
  - ¹⁵N chemical shifts: 143
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	801	781	97.5
¹³C chemical shifts	603	438	72.6
¹⁵N chemical shifts	152	143	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	270	267	98.9
¹³C chemical shifts	270	134	49.6
¹⁵N chemical shifts	131	129	98.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	531	514	96.8
¹³C chemical shifts	333	304	91.3
¹⁵N chemical shifts	21	14	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	109	108	99.1
¹³C chemical shifts	109	93	85.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	12	8	66.7
¹³C chemical shifts	12	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 135, Sequence coverage: 99.3%
- Total number of restraints: 3516
- Weight of restraints: 1.0 (3516)
- Potential type of restraints: upper-bound-parabolic (3516)
- Range of distance target values: 2.14, 5.69 (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: DYANA/DIANA_dihedral_4
- Status: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 135, Sequence coverage: 84.4%
- Total number of restraints: 600
- Total number of restraints per polymer type: 600
- Weight of restraints: 1.0 (600)
- Potential type of restraints: square-well-parabolic (600)
- Plot of Chi1-Chi2 angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords PAT, Pyk2

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Found 1 Document (1.671 seconds)

BMRB: 17974

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. PAT Pyk2 and Paxillin LD motif, : 1 : 4 : 3 : 37 entities Detail

Interaction partners 1. PAT Pyk2 and Paxillin LD motif, : 31 interactors Detail

Experiments performed 7 experiments Detail

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NMR combined restraints 4 contents Detail