BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	94.8 % (1466 of 1546)	97.3 % (779 of 801)	91.1 % (550 of 604)	97.2 % (137 of 141)
Backbone	95.9 % (748 of 780)	98.5 % (262 of 266)	93.8 % (364 of 388)	96.8 % (122 of 126)
Sidechain	94.6 % (842 of 890)	96.6 % (517 of 535)	91.2 % (310 of 340)	100.0 % (15 of 15)
Aromatic	66.4 % (81 of 122)	78.7 % (48 of 61)	52.5 % (31 of 59)	100.0 % (2 of 2)
Methyl	98.7 % (156 of 158)	98.7 % (78 of 79)	98.7 % (78 of 79)

1. YP 001092504.1

GMTPQSDTPK VTGLKLKRKS RQLEISFDNG QQFTLSCELL RVYSPSAEVH GHGNPVLVTH KKNVNINAIT PVGNYAVKLV FDDGHDTGLY SWKVLYDLAS NQVDLWENYL ARLRAAKASR EPLIDMAVKY HT

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.2mM [U-98% 13C; U-98% 15N] Protein-YP_001092504.1, 50mM NaCl, 20mM Sodium Phosphate, 4.5 mM sodium azide, 95% H20/5%D20

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.26 ppm, Outliers: 4 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.26 ppm, Outliers: 4 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.3 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L6N, Strand ID: A Detail

Release date

2010-12-15

Citation

NMR solution structure of the protein YP_001092504.1
Mohanty, B., Serrano, P., Geralt, M., Horst, R., Wuthrich, K.
Not known

Related entities 1. YP 001092504.1, : 1 : 7 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.2mM [U-98% 13C; U-98% 15N] Protein-YP_001092504.1, 50mM NaCl, 20mM Sodium Phosphate, 4.5 mM sodium azide, 95% H20/5%D20

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

3 4D APSY-HACANH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

4 5D APSY-HACACONH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

5 5D APSY-CBCACONH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

6 15N resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

7 13Cali resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

8 13Caro resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

9 15 N {1H} - NOE

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	Protein-YP_001092504.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_17318_2l6n.nef
Input source #2: Coordindates	2l6n.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
GMTPQSDTPKVTGLKLKRKSRQLEISFDNGQQFTLSCELLRVYSPSAEVHGHGNPVLVTHKKNVNINAITPVGNYAVKLVFDDGHDTGLYSWKVLYDLAS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GMTPQSDTPKVTGLKLKRKSRQLEISFDNGQQFTLSCELLRVYSPSAEVHGHGNPVLVTHKKNVNINAITPVGNYAVKLVFDDGHDTGLYSWKVLYDLAS

-------110-------120-------130--
NQVDLWENYLARLRAAKASREPLIDMAVKYHT
||||||||||||||||||||||||||||||||
NQVDLWENYLARLRAAKASREPLIDMAVKYHT

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	132	0	0	100.0

Content subtype: combined_17318_2l6n.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1457		99.2 (chain: A, length: 132)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2897 (1)	noe	99.2 (chain: A, length: 132)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 132, Sequence coverage: 99.2%
- Total number of assignments
  - ¹H chemical shifts: 775
  - ¹³C chemical shifts: 542
  - ¹⁵N chemical shifts: 140
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- 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	801	775	96.8
¹³C chemical shifts	604	542	89.7
¹⁵N chemical shifts	147	140	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	266	258	97.0
¹³C chemical shifts	264	232	87.9
¹⁵N chemical shifts	126	120	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	535	517	96.6
¹³C chemical shifts	340	310	91.2
¹⁵N chemical shifts	21	20	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	81	79	97.5
¹³C chemical shifts	81	79	97.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	48	78.7
¹³C chemical shifts	59	31	52.5
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 132, Sequence coverage: 99.2%
- Total number of restraints: 2897
- Weight of restraints: 1.0 (2897)
- Potential type of restraints: upper-bound-parabolic (2897)
- Range of distance target values: 2.4, 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 DUF971, PJ06155C, SHEWANELLA SP. PV-4, YP_001092504.1

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Found 1 Document (0.814 seconds)

BMRB: 17318

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. YP 001092504.1, : 1 : 7 entities Detail

Experiments performed 9 experiments Detail

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NMR combined restraints 3 contents Detail