BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	84.3 % (1224 of 1452)	83.9 % (640 of 763)	85.9 % (483 of 562)	79.5 % (101 of 127)
Backbone	87.4 % (619 of 708)	87.1 % (210 of 241)	88.6 % (311 of 351)	84.5 % (98 of 116)
Sidechain	80.5 % (690 of 857)	80.7 % (421 of 522)	82.4 % (267 of 324)	18.2 % (2 of 11)
Aromatic	65.9 % (87 of 132)	66.7 % (44 of 66)	64.6 % (42 of 65)	100.0 % (1 of 1)
Methyl	80.2 % (93 of 116)	81.0 % (47 of 58)	79.3 % (46 of 58)

1. ComP

ISEFEKAKIN AVRAALLENA HFMEKFYLQN GRFKQTSTKW PSLPIKEAEG FCIRLNGIAR GALDSKFMLK AVAIDKDKNP FIIKMNENLV TFICKKSASS CSDGLDYFKG NDKDCKLFK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.7, Details COmP

#	Name	Isotope labeling	Concentration
1	ComP	[U-100% 13C; U-100% 15N]	0.1 ~ 0.5 mM
2	H2O	natural abundance	90 %
3	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: -0.58 ppm, Outliers: 1 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: -0.58 ppm, Outliers: 1 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: -0.06 ppm, Outliers: 3 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: -0.07 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 1 models in PDB: 2M3K, Strand ID: A Detail

Release date

2013-02-10

Citation

Specific DNA recognition mediated by a type IV pilin
Cehovin, A., Simpson, P.J., McDowell, M.A., Brown, D.R., Noschese, R., Pallett, M., Brady, J., Baldwin, G.S., Lea, S.M., Matthews, S.J., Pelicic, V.
Proc. Natl. Acad. Sci. U. S. A. (2013), 110, 3065-3070, PubMed 23386723 , DOI 10.1073/pnas.1218832110 , Abstract

Related entities 1. ComP, : 1 : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18966_2m3k.nef
Input source #2: Coordindates	2m3k.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:52:CYS:SG	A:101:CYS:SG	oxidized, CA 56.039, CB 44.984 ppm	oxidized, CA 56.702, CB 40.783 ppm	2.03
A:94:CYS:SG	A:115:CYS:SG	oxidized, CA 54.565, CB 47.121 ppm	oxidized, CA 55.744, CB 46.532 ppm	2.031

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
ISEFEKAKINAVRAALLENAHFMEKFYLQNGRFKQTSTKWPSLPIKEAEGFCIRLNGIARGALDSKFMLKAVAIDKDKNPFIIKMNENLVTFICKKSASS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ISEFEKAKINAVRAALLENAHFMEKFYLQNGRFKQTSTKWPSLPIKEAEGFCIRLNGIARGALDSKFMLKAVAIDKDKNPFIIKMNENLVTFICKKSASS

-------110---------
CSDGLDYFKGNDKDCKLFK
|||||||||||||||||||
CSDGLDYFKGNDKDCKLFK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	119	0	0	100.0

Content subtype: combined_18966_2m3k.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1164		89.1 (chain: A, length: 119)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1134 (1)	noe	84.9 (chain: A, length: 119)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	1179 (1)	noe	83.2 (chain: A, length: 119)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	176 (176)	.	92.4 (chain: A, length: 119)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 89.1%
- Total number of assignments
  - ¹H chemical shifts: 605
  - ¹³C chemical shifts: 466
  - ¹⁵N chemical shifts: 93
- 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	763	605	79.3
¹³C chemical shifts	562	466	82.9
¹⁵N chemical shifts	131	93	71.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	241	201	83.4
¹³C chemical shifts	238	205	86.1
¹⁵N chemical shifts	116	92	79.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	522	404	77.4
¹³C chemical shifts	324	261	80.6
¹⁵N chemical shifts	15	1	6.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	52	85.2
¹³C chemical shifts	61	51	83.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	46	69.7
¹³C chemical shifts	65	41	63.1
¹⁵N chemical shifts	1	1	100.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 84.9%
- Total number of restraints: 1132
- Weight of restraints: 1.0 (1132)
- Potential type of restraints: square-well-parabolic (1132)
- Range of distance target values: 1.66, 3.15 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 83.2%
  - Total number of restraints: 1168
  - Weight of restraints: 1.0 (1168)
  - Potential type of restraints: square-well-parabolic (1168)
  - Range of distance target values: 1.5, 3.12 (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: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 92.4%
- Total number of restraints: 176
- Total number of restraints per polymer type: 176
- Weight of restraints: 1.0 (176)
- Potential type of restraints: square-well-parabolic (176)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords DNA uptake

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.471 seconds)

BMRB: 18966

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. ComP, : 1 : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 5 contents Detail