BMRBj - BMREntryMaster

Found 1 Document (1.408 seconds)

BMRB: 4036

1AKP

Sequential 1H, 13C, and 15N, NMR Assignments and Solution Conformation of Apokedarcidin

Authors

Constantine, K.L., Colson, K.L., Wittekind, M., Friedrichs, M.S., Zein, N., Tuttle, J., Langley, D.R., Leet, J.E., Schroeder, D.R., Lam, K.S., Farmer, B.T., Metzler, W.J., Bruccoleri, R.E., Mueller, L.

Assembly

Apokedarcidin

Entity

1. Apokedarcidin (polymer), 114 monomers, 10968.89 Da Detail

ASAAVSVSPA TGLADGATVT VSASGFATST SATALQCAIL ADGRGACNVA EFHDFSLSGG EGTTSVVVRR SFTGYVMPDG PEVGAVDCDT APGGCEIVVG GNTGEYGNAA ISFG

Formula weight

10968.89 Da

Source organism

Streptoalloteichus sp.

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.1 %, Completeness (bb): 82.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.1 % (951 of 1092)	96.1 % (518 of 539)	72.9 % (320 of 439)	99.1 % (113 of 114)
Backbone	82.2 % (556 of 676)	96.3 % (233 of 242)	66.0 % (214 of 324)	99.1 % (109 of 110)
Sidechain	95.5 % (489 of 512)	96.0 % (285 of 297)	94.8 % (200 of 211)	100.0 % (4 of 4)
Aromatic	82.9 % (58 of 70)	82.9 % (29 of 35)	82.9 % (29 of 35)
Methyl	97.8 % (135 of 138)	97.1 % (67 of 69)	98.6 % (68 of 69)

1. Apokedarcidin

ASAAVSVSPA TGLADGATVT VSASGFATST SATALQCAIL ADGRGACNVA EFHDFSLSGG EGTTSVVVRR SFTGYVMPDG PEVGAVDCDT APGGCEIVVG GNTGEYGNAA ISFG

Show sample condition

Sample

Temperature 293 K, pH 5.4

#	Name	Concentration
1	Apokedarcidin	2.6 mM
2	H2O	90 %
3	D2O	10 %
4	deuterated sodium acetate	36 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type
¹H	H2O	na	4.84 ppm	internal	direct
¹H	TSP	methyl protons	0.0 ppm	external	null
¹⁵N	NH3	nitrogen	0.0 ppm	null	indirect
¹³C	TSP	methyl carbon	0.0 ppm	null	indirect

Referencing offset: 0.82 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type
¹H	H2O	na	4.84 ppm	internal	direct
¹H	TSP	methyl protons	0.0 ppm	external	null
¹⁵N	NH3	nitrogen	0.0 ppm	null	indirect
¹³C	TSP	methyl carbon	0.0 ppm	null	indirect

Referencing offset: 0.82 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type
¹H	H2O	na	4.84 ppm	internal	direct
¹H	TSP	methyl protons	0.0 ppm	external	null
¹⁵N	NH3	nitrogen	0.0 ppm	null	indirect
¹³C	TSP	methyl carbon	0.0 ppm	null	indirect

Referencing offset: -0.21 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 1AKP, Strand ID: A Detail

Release date

1998-07-04

Citation

Sequential 1H, 13C, and 15N NMR assignments and solution conformation of apokedarcidin
Constantine, K.L., Colson, K.L., Wittekind, M., Friedrichs, M.S., Zein, N., Tuttle, J., Langley, D.R., Leet, J.E., Schroeder, D.R., Lam, K.S., Farmer, B.T., Metzler, W.J., Bruccoleri, R.E., Mueller, L.
Biochemistry (1994), 33, 11438-11452, PubMed 7918358 , DOI: , Abstract

Related entities 1. Apokedarcidin, : 1 : 1 : 22 entities Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4036_3.str
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

Content subtype: bmr4036_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	1107		100.0 (chain: 1, length: 114)
1	Chemical shift references	chemical_shift_reference_one	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 114, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 671
  - ¹³C chemical shifts: 320
  - ¹⁵N chemical shifts: 116
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	539	533	98.9
¹³C chemical shifts	439	320	72.9
¹⁵N chemical shifts	117	116	99.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	242	241	99.6
¹³C chemical shifts	228	114	50.0
¹⁵N chemical shifts	110	109	99.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	297	292	98.3
¹³C chemical shifts	211	206	97.6
¹⁵N chemical shifts	7	7	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	70	69	98.6
¹³C chemical shifts	70	69	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	35	33	94.3
¹³C chemical shifts	35	33	94.3

Keywords Apokedarcidin, NMR

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Found 1 Document (1.408 seconds)

BMRB: 4036

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Apokedarcidin, : 1 : 1 : 22 entities Detail

Chemical shift validation 3 contents Detail