BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	88.7 % (1394 of 1572)	92.0 % (747 of 812)	83.7 % (520 of 621)	91.4 % (127 of 139)
Backbone	91.4 % (722 of 790)	91.8 % (247 of 269)	91.1 % (357 of 392)	91.5 % (118 of 129)
Sidechain	87.1 % (791 of 908)	92.1 % (500 of 543)	79.4 % (282 of 355)	90.0 % (9 of 10)
Aromatic	61.1 % (110 of 180)	84.4 % (76 of 90)	36.4 % (32 of 88)	100.0 % (2 of 2)
Methyl	100.0 % (126 of 126)	100.0 % (63 of 63)	100.0 % (63 of 63)

1. entity

MSHHHHHHSM GMDEYSPKRH DVAQLKFLCE SLYDEGIATL GDSHHGWVND PTSAVNLQLN DLIEHIASFV MSFKIKYPDD GDLSELVEEY LDDTYTLFSS YGINDPELQR WQKTKERLFR LFSGEYISTL MKT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
1	YmoB-C117S	natural abundance	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	TCEP	natural abundance	1 mM
5	EDTA	natural abundance	0.2 mM
6	sodium azide	natural abundance	0.1 %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
9	YmoB-C117S	[U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	150 mM
12	TCEP	natural abundance	1 mM
13	EDTA	natural abundance	0.2 mM
14	sodium azide	natural abundance	0.1 %
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
17	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	150 mM
20	TCEP	natural abundance	1 mM
21	EDTA	natural abundance	0.2 mM
22	sodium azide	natural abundance	0.1 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
25	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
26	sodium phosphate	natural abundance	20 mM
27	sodium chloride	natural abundance	150 mM
28	TCEP	natural abundance	1 mM
29	EDTA	natural abundance	0.2 mM
30	sodium azide	natural abundance	0.1 %
31	H2O	natural abundance	90 %
32	D2O	natural abundance	10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
33	YmoB-C117S	[U-10% 13C; U-100% 15N]	1 mM
34	sodium phosphate	natural abundance	20 mM
35	sodium chloride	natural abundance	150 mM
36	TCEP	natural abundance	1 mM
37	EDTA	natural abundance	0.2 mM
38	sodium azide	natural abundance	0.1 %
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

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: -0.12 ppm, Outliers: 3 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: -0.12 ppm, Outliers: 3 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: 0.2 ppm, Outliers: 1 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: 1.27 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MN2, Strand ID: A Detail

Release date

2015-03-29

Citation

TomB/YmoB proteins: structure and function in biofilm regulation
Marimon, O., Cordeiro, T.N., Amata, I., Mayzel, M., Orekhov, V.Y., Wood, T.K., Pons, M.
Not known

Related entities 1. YmoB. A modulator of biofilm formation, : 1 : 2 entities Detail

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
9	YmoB-C117S	[U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	150 mM
12	TCEP	natural abundance	1 mM
13	EDTA	natural abundance	0.2 mM
14	sodium azide	natural abundance	0.1 %
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

2 3D HNCO

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
17	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	150 mM
20	TCEP	natural abundance	1 mM
21	EDTA	natural abundance	0.2 mM
22	sodium azide	natural abundance	0.1 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

3 3D HN(CO)CA

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
17	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	150 mM
20	TCEP	natural abundance	1 mM
21	EDTA	natural abundance	0.2 mM
22	sodium azide	natural abundance	0.1 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

4 3D CBCA(CO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
17	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	150 mM
20	TCEP	natural abundance	1 mM
21	EDTA	natural abundance	0.2 mM
22	sodium azide	natural abundance	0.1 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

5 2D 1H-13C HSQC

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
17	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	150 mM
20	TCEP	natural abundance	1 mM
21	EDTA	natural abundance	0.2 mM
22	sodium azide	natural abundance	0.1 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

6 2D 1H-13C HSQC aliphatic Constant Time

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
33	YmoB-C117S	[U-10% 13C; U-100% 15N]	1 mM
34	sodium phosphate	natural abundance	20 mM
35	sodium chloride	natural abundance	150 mM
36	TCEP	natural abundance	1 mM
37	EDTA	natural abundance	0.2 mM
38	sodium azide	natural abundance	0.1 %
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

7 3D HBHA(CO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
17	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	150 mM
20	TCEP	natural abundance	1 mM
21	EDTA	natural abundance	0.2 mM
22	sodium azide	natural abundance	0.1 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

8 3D HNCACB

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
17	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	150 mM
20	TCEP	natural abundance	1 mM
21	EDTA	natural abundance	0.2 mM
22	sodium azide	natural abundance	0.1 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

9 2D 1H-15N HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
25	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
26	sodium phosphate	natural abundance	20 mM
27	sodium chloride	natural abundance	150 mM
28	TCEP	natural abundance	1 mM
29	EDTA	natural abundance	0.2 mM
30	sodium azide	natural abundance	0.1 %
31	H2O	natural abundance	90 %
32	D2O	natural abundance	10 %

10 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
17	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	150 mM
20	TCEP	natural abundance	1 mM
21	EDTA	natural abundance	0.2 mM
22	sodium azide	natural abundance	0.1 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

11 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
25	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
26	sodium phosphate	natural abundance	20 mM
27	sodium chloride	natural abundance	150 mM
28	TCEP	natural abundance	1 mM
29	EDTA	natural abundance	0.2 mM
30	sodium azide	natural abundance	0.1 %
31	H2O	natural abundance	90 %
32	D2O	natural abundance	10 %

12 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
25	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
26	sodium phosphate	natural abundance	20 mM
27	sodium chloride	natural abundance	150 mM
28	TCEP	natural abundance	1 mM
29	EDTA	natural abundance	0.2 mM
30	sodium azide	natural abundance	0.1 %
31	H2O	natural abundance	90 %
32	D2O	natural abundance	10 %

13 3D HCCH-TOCSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
25	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
26	sodium phosphate	natural abundance	20 mM
27	sodium chloride	natural abundance	150 mM
28	TCEP	natural abundance	1 mM
29	EDTA	natural abundance	0.2 mM
30	sodium azide	natural abundance	0.1 %
31	H2O	natural abundance	90 %
32	D2O	natural abundance	10 %

14 3D HccH-TOCSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
25	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
26	sodium phosphate	natural abundance	20 mM
27	sodium chloride	natural abundance	150 mM
28	TCEP	natural abundance	1 mM
29	EDTA	natural abundance	0.2 mM
30	sodium azide	natural abundance	0.1 %
31	H2O	natural abundance	90 %
32	D2O	natural abundance	10 %

15 3D 1H-15N NOESY

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
17	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	150 mM
20	TCEP	natural abundance	1 mM
21	EDTA	natural abundance	0.2 mM
22	sodium azide	natural abundance	0.1 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

16 3D 1H-13C NOESY aliphatic

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
25	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
26	sodium phosphate	natural abundance	20 mM
27	sodium chloride	natural abundance	150 mM
28	TCEP	natural abundance	1 mM
29	EDTA	natural abundance	0.2 mM
30	sodium azide	natural abundance	0.1 %
31	H2O	natural abundance	90 %
32	D2O	natural abundance	10 %

17 3D 1H-13C NOESY aromatic

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.00

#	Name	Isotope labeling	Concentration
25	YmoB-C117S	[U-100% 13C; U-100% 15N]	1 mM
26	sodium phosphate	natural abundance	20 mM
27	sodium chloride	natural abundance	150 mM
28	TCEP	natural abundance	1 mM
29	EDTA	natural abundance	0.2 mM
30	sodium azide	natural abundance	0.1 %
31	H2O	natural abundance	90 %
32	D2O	natural abundance	10 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19876_2mn2.nef
Input source #2: Coordindates	2mn2.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--------9
MSHHHHHHSMGMDEYSPKRHDVAQLKFLCESLYDEGIATLGDSHHGWVNDPTSAVNLQLNDLIEHIASFVMSFKIKYPDDGDLSELVEEYLDDTYTLFSS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSHHHHHHSMGMDEYSPKRHDVAQLKFLCESLYDEGIATLGDSHHGWVNDPTSAVNLQLNDLIEHIASFVMSFKIKYPDDGDLSELVEEYLDDTYTLFSS
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

0-------100-------110-------120--
YGINDPELQRWQKTKERLFRLFSGEYISTLMKT
|||||||||||||||||||||||||||||||||
YGINDPELQRWQKTKERLFRLFSGEYISTLMKT
-------110-------120-------130---

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	133	0	0	100.0

Content subtype: combined_19876_2mn2.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1362		91.7 (chain: A, length: 133)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	1582 (1)	noe	91.0 (chain: A, length: 133)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	72 (1)	hbond	39.1 (chain: A, length: 133)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	198 (198)	.	85.0 (chain: A, length: 133)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 133, Sequence coverage: 91.7%
- Total number of assignments
  - ¹H chemical shifts: 734
  - ¹³C chemical shifts: 505
  - ¹⁵N chemical shifts: 123
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
109	ARG	CZ	128.096

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	812	734	90.4
¹³C chemical shifts	621	504	81.2
¹⁵N chemical shifts	143	123	86.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	269	241	89.6
¹³C chemical shifts	266	231	86.8
¹⁵N chemical shifts	129	114	88.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	543	493	90.8
¹³C chemical shifts	355	273	76.9
¹⁵N chemical shifts	14	9	64.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	68	66	97.1
¹³C chemical shifts	68	66	97.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	90	76	84.4
¹³C chemical shifts	88	30	34.1
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 133, Sequence coverage: 91.0%
- Total number of restraints: 1578
- Weight of restraints: 1.0 (1578)
- Potential type of restraints: square-well-parabolic (1578)
- Range of distance target values: 2.1, 3.65 (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
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 133, Sequence coverage: 39.1%
  - Total number of restraints: 72
  - Weight of restraints: 1.0 (72)
  - Potential type of restraints: square-well-parabolic (72)
  - Range of distance target values: 2.05, 3.05 (Å)
  - Histogram of 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: 133, Sequence coverage: 85.0%
- Total number of restraints: 198
- Total number of restraints per polymer type: 198
- Weight of restraints: 1.0 (198)
- Potential type of restraints: square-well-parabolic (198)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Buried cysteine, four helix bundle

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Found 1 Document (0.808 seconds)

BMRB: 19876

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. YmoB. A modulator of biofilm formation, : 1 : 2 entities Detail

Experiments performed 17 experiments Detail

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NMR combined restraints 5 contents Detail