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Found 1 Document (0.588 seconds)

BMRB: 19828

2MLO

HUMAN CCR2 MEMBRANE-PROXIMAL C-TERMINAL REGION (PRO-C) IN A MEMBRANE BOUND FORM

Authors

Esaki, K.

Assembly

CHEMOKINE (C-C MOTIF) RECEPTOR 2

Entity

1. CHEMOKINE (C-C MOTIF) RECEPTOR 2 (polymer, Thiol state: not present), 16 monomers, 2127.491 Da Detail

EKFRRYLSVF FRKHIT

Formula weight

2127.491 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.0 %, Completeness (bb): 78.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.0 % (196 of 228)	90.9 % (110 of 121)	79.1 % (72 of 91)	87.5 % (14 of 16)
Backbone	78.1 % (75 of 96)	90.6 % (29 of 32)	66.7 % (32 of 48)	87.5 % (14 of 16)
Sidechain	92.6 % (137 of 148)	91.0 % (81 of 89)	94.9 % (56 of 59)
Aromatic	95.2 % (40 of 42)	95.2 % (20 of 21)	95.2 % (20 of 21)
Methyl	100.0 % (14 of 14)	100.0 % (7 of 7)	100.0 % (7 of 7)

1. CHEMOKINE (C-C MOTIF) RECEPTOR 2

EKFRRYLSVF FRKHIT

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DPC	[U-99% 2H]	10 mM
5	D2O	[U-100% 2H]	100 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	50 mM
9	DPC	[U-99% 2H]	10 mM
10	D2O	[U-100% 2H]	5 %
11	H2O	natural abundance	95 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	CCR2_Pro-C	[U-100% 15N]	200 uM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	50 mM
15	DPC	[U-99% 2H]	10 mM
16	D2O	[U-100% 2H]	5 %
17	H2O	natural abundance	95 %

Protein Blocks Logo

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

Release date

2014-10-05

Related entities 1. CHEMOKINE (C-C MOTIF) RECEPTOR 2, : 1 : 2 : 1 : 2 : 50 entities Detail

Interaction partners 1. CHEMOKINE (C-C MOTIF) RECEPTOR 2, : 4 interactors Detail

More details for 4 interactors identified by 2 citations

Experiments performed 9 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	CCR2_Pro-C	[U-100% 15N]	200 uM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	50 mM
15	DPC	[U-99% 2H]	10 mM
16	D2O	[U-100% 2H]	5 %
17	H2O	natural abundance	95 %

2 3D HNHA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	CCR2_Pro-C	[U-100% 15N]	200 uM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	50 mM
15	DPC	[U-99% 2H]	10 mM
16	D2O	[U-100% 2H]	5 %
17	H2O	natural abundance	95 %

3 3D 1H- 13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DPC	[U-99% 2H]	10 mM
5	D2O	[U-100% 2H]	100 %

4 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	50 mM
9	DPC	[U-99% 2H]	10 mM
10	D2O	[U-100% 2H]	5 %
11	H2O	natural abundance	95 %

5 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	50 mM
9	DPC	[U-99% 2H]	10 mM
10	D2O	[U-100% 2H]	5 %
11	H2O	natural abundance	95 %

6 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	50 mM
9	DPC	[U-99% 2H]	10 mM
10	D2O	[U-100% 2H]	5 %
11	H2O	natural abundance	95 %

7 3D HCCH- TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DPC	[U-99% 2H]	10 mM
5	D2O	[U-100% 2H]	100 %

8 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	CCR2_Pro-C	[U-100% 15N]	200 uM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	50 mM
15	DPC	[U-99% 2H]	10 mM
16	D2O	[U-100% 2H]	5 %
17	H2O	natural abundance	95 %

9 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DPC	[U-99% 2H]	10 mM
5	D2O	[U-100% 2H]	100 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19828_2mlo.nef
Input source #2: Coordindates	2mlo.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------
EKFRRYLSVFFRKHIT
||||||||||||||||
EKFRRYLSVFFRKHIT

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	16	0	0	100.0

Content subtype: combined_19828_2mlo.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	195		100.0 (chain: A, length: 16)
1	Distance restraints	DYANA/DIANA_distance_constraints_3	OK	262 (1)	noe	100.0 (chain: A, length: 16)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	22 (22)	.	81.2 (chain: A, length: 16)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 110
  - ¹³C chemical shifts: 71
  - ¹⁵N chemical shifts: 14
- Completeness of assignments
  - Entity_assemble_ID: A
- Tautomeric state of HIS
- 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	121	110	90.9
¹³C chemical shifts	91	71	78.0
¹⁵N chemical shifts	19	14	73.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	32	29	90.6
¹³C chemical shifts	32	15	46.9
¹⁵N chemical shifts	16	14	87.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	89	81	91.0
¹³C chemical shifts	59	56	94.9
¹⁵N chemical shifts	3	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	7	100.0
¹³C chemical shifts	7	7	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	20	95.2
¹³C chemical shifts	21	20	95.2

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 100.0%
- Total number of restraints: 262
- Weight of restraints: 1.0 (262)
- Potential type of restraints: upper-bound-parabolic (262)
- Range of distance target values: 2.83, 5.5 (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_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 81.2%
- Total number of restraints: 22
- Total number of restraints per polymer type: 22
- Weight of restraints: 1.0 (22)
- Potential type of restraints: square-well-parabolic (22)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords CCR2, PRO-C, SIGNALING PROTEIN

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Found 1 Document (0.588 seconds)

BMRB: 19828

Sample #1

Sample #2

Sample #3

Related entities 1. CHEMOKINE (C-C MOTIF) RECEPTOR 2, : 1 : 2 : 1 : 2 : 50 entities Detail

Interaction partners 1. CHEMOKINE (C-C MOTIF) RECEPTOR 2, : 4 interactors Detail

Experiments performed 9 experiments Detail

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NMR combined restraints 4 contents Detail