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Found 1 Document (0.668 seconds)

BMRB: 19829

2MLQ

HUMAN CCR2 MEMBRANE-PROXIMAL C-TERMINAL REGION (PRO-C) IN A FROUNT 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: 65.8 %, Completeness (bb): 71.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	65.8 % (150 of 228)	79.3 % (96 of 121)	44.0 % (40 of 91)	87.5 % (14 of 16)
Backbone	71.9 % (69 of 96)	93.8 % (30 of 32)	52.1 % (25 of 48)	87.5 % (14 of 16)
Sidechain	62.2 % (92 of 148)	74.2 % (66 of 89)	44.1 % (26 of 59)
Aromatic	26.2 % (11 of 42)	52.4 % (11 of 21)	0.0 % (0 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 95% H2O/5% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CCR2_Pro-C	[U-100% 15N]	800 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	FROUNT	natural abundance	8 uM
5	D2O	[U-100% 2H]	5 %
6	H2O	natural abundance	95 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	800 uM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	FROUNT	natural abundance	8 uM
11	D2O	[U-100% 2H]	100 %

Sample #3

Solvent system 95% H2O, 5% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

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

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
17	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	50 mM
20	D2O	[U-100% 2H]	100 %

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
21	CCR2_Pro-C	[U-100% 15N]	200 uM
22	sodium phosphate	natural abundance	20 mM
23	sodium chloride	natural abundance	50 mM
24	D2O	[U-100% 2H]	5 %
25	H2O	natural abundance	95 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2MLQ, 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 8 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 268.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CCR2_Pro-C	[U-100% 15N]	800 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	FROUNT	natural abundance	8 uM
5	D2O	[U-100% 2H]	5 %
6	H2O	natural abundance	95 %

2 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	800 uM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	FROUNT	natural abundance	8 uM
11	D2O	[U-100% 2H]	100 %

3 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O, 5% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

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

4 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O, 5% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

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

5 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O, 5% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

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

6 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
17	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	50 mM
20	D2O	[U-100% 2H]	100 %

7 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
21	CCR2_Pro-C	[U-100% 15N]	200 uM
22	sodium phosphate	natural abundance	20 mM
23	sodium chloride	natural abundance	50 mM
24	D2O	[U-100% 2H]	5 %
25	H2O	natural abundance	95 %

8 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 268.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
17	CCR2_Pro-C	[U-100% 13C; U-100% 15N]	200 uM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	50 mM
20	D2O	[U-100% 2H]	100 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_19829_2mlq.nef
Input source #2: Coordindates	2mlq.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_19829_2mlq.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	149		100.0 (chain: A, length: 16)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	260 (1)	noe	100.0 (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: 96
  - ¹³C chemical shifts: 39
  - ¹⁵N chemical shifts: 14
- Completeness of assignments
  - Entity_assemble_ID: A
- 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	96	79.3
¹³C chemical shifts	91	39	42.9
¹⁵N chemical shifts	19	14	73.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	32	30	93.8
¹³C chemical shifts	32	13	40.6
¹⁵N chemical shifts	16	14	87.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	89	66	74.2
¹³C chemical shifts	59	26	44.1
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	11	52.4
¹³C chemical shifts	21	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: 16, Sequence coverage: 100.0%
- Total number of restraints: 260
- Weight of restraints: 1.0 (260)
- Potential type of restraints: upper-bound-parabolic (260)
- Range of distance target values: 3.51, 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

Keywords CCR2, FROUNT, PRO-C, SIGNALING PROTEIN

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Found 1 Document (0.668 seconds)

BMRB: 19829

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

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 8 experiments Detail

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NMR combined restraints 3 contents Detail