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Found 1 Document (0.572 seconds)

BMRB: 17383

2L7X

Crimean Congo Hemorrhagic Fever Gn zinc finger

Authors

Estrada, D.F., De Guzman, R.N.

Assembly

Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail

Entity

1. CRIMEAN CONGO GN ZINC FINGER (polymer, Thiol state: all other bound), 77 monomers, 8923.174 Da Detail

RELKPQTCTI CETTPVNAID AEMHDLNCSY NICPYCASRL TSDGLARHVT QCPKRKEKVE ETELYLNLER IPWVVRK

2. ZN (non-polymer), 65.409 × 2 Da

Total weight

9053.992 Da

Max. entity weight

8923.174 Da

Entity Connection

na 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS8:SG	2:ZN1:ZN
2	na	sing	1:CYS11:SG	2:ZN1:ZN
3	na	sing	1:HIS24:ND1	2:ZN1:ZN
4	na	sing	1:CYS28:SG	2:ZN1:ZN
5	na	sing	1:CYS33:SG	2:ZN1:ZN
6	na	sing	1:CYS36:SG	2:ZN1:ZN
7	na	sing	1:HIS48:NE2	2:ZN1:ZN
8	na	sing	1:CYS52:SG	2:ZN1:ZN

Source organism

Crimean-Congo hemorrhagic fever orthonairovirus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 44.3 %, Completeness (bb): 81.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	44.3 % (400 of 902)	36.6 % (173 of 473)	44.6 % (156 of 350)	89.9 % (71 of 79)
Backbone	81.4 % (368 of 452)	96.7 % (145 of 150)	66.5 % (153 of 230)	97.2 % (70 of 72)
Sidechain	19.8 % (104 of 526)	8.7 % (28 of 323)	38.3 % (75 of 196)	14.3 % (1 of 7)
Aromatic	0.0 % (0 of 44)	0.0 % (0 of 22)	0.0 % (0 of 21)	0.0 % (0 of 1)
Methyl	7.0 % (6 of 86)	2.3 % (1 of 43)	11.6 % (5 of 43)

1. CRIMEAN CONGO GN ZINC FINGER

RELKPQTCTI CETTPVNAID AEMHDLNCSY NICPYCASRL TSDGLARHVT QCPKRKEKVE ETELYLNLER IPWVVRK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
1	CRIMEAN CONGO GN ZINC FINGER	[U-99% 15N]	.7 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	zinc sulfate	natural abundance	0.1 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
7	CRIMEAN CONGO GN ZINC FINGER	[U-99% 13C; U-99% 15N]	.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	20 mM
10	zinc sulfate	natural abundance	0.1 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
13	CRIMEAN CONGO GN ZINC FINGER	[U-99% 13C; U-99% 15N]	.7 mM
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	20 mM
16	zinc sulfate	natural abundance	0.1 mM
17	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: 0.05 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.05 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 1 models in PDB: 2L7X, Strand ID: A Detail

Heteronucl. NOE

67 NOE values in 1 lists
Value type peak height, Field strength (¹H) 800 MHz, Pressure 1 atm, Temperature 273 K, pH 6.9 Detail

Release date

2011-05-02

Citation

Structural characterization of the Crimean-Congo hemorrhagic fever virus Gn tail provides insight into virus assembly
Estrada, D., De Guzman, R.N.
J. Biol. Chem. (2011), 286, 21678-21686, PubMed 21507948 , DOI 10.1074/jbc.M110.216515 , Abstract

Related entities 1. CRIMEAN CONGO GN ZINC FINGER, : 1 : 1 : 9 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
1	CRIMEAN CONGO GN ZINC FINGER	[U-99% 15N]	.7 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	zinc sulfate	natural abundance	0.1 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
1	CRIMEAN CONGO GN ZINC FINGER	[U-99% 15N]	.7 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	zinc sulfate	natural abundance	0.1 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

3 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
7	CRIMEAN CONGO GN ZINC FINGER	[U-99% 13C; U-99% 15N]	.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	20 mM
10	zinc sulfate	natural abundance	0.1 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

4 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
7	CRIMEAN CONGO GN ZINC FINGER	[U-99% 13C; U-99% 15N]	.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	20 mM
10	zinc sulfate	natural abundance	0.1 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

5 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
7	CRIMEAN CONGO GN ZINC FINGER	[U-99% 13C; U-99% 15N]	.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	20 mM
10	zinc sulfate	natural abundance	0.1 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

6 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
7	CRIMEAN CONGO GN ZINC FINGER	[U-99% 13C; U-99% 15N]	.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	20 mM
10	zinc sulfate	natural abundance	0.1 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

7 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
13	CRIMEAN CONGO GN ZINC FINGER	[U-99% 13C; U-99% 15N]	.7 mM
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	20 mM
16	zinc sulfate	natural abundance	0.1 mM
17	D2O	natural abundance	100 %

8 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
13	CRIMEAN CONGO GN ZINC FINGER	[U-99% 13C; U-99% 15N]	.7 mM
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	20 mM
16	zinc sulfate	natural abundance	0.1 mM
17	D2O	natural abundance	100 %

9 2D 1H-15N HeteroNuclear NOE

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 500 ul

#	Name	Isotope labeling	Concentration
1	CRIMEAN CONGO GN ZINC FINGER	[U-99% 15N]	.7 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	zinc sulfate	natural abundance	0.1 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_17383_2l7x.nef
Input source #2: Coordindates	2l7x.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:24:HIS:ND1	2:1:ZN:ZN	unknown	unknown	n/a
1:48:HIS:NE2	2:2:ZN:ZN	unknown	unknown	n/a
1:11:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:33:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:36:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:8:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:52:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:28:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	1	ZN	ZINC ION	None
B	2	ZN	ZINC ION	None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-30-------40--------50--------60--------70--------80--------90-------100-----
RELKPQTCTICETTPVNAIDAEMHDLNCSYNICPYCASRLTSDGLARHVTQCPKRKEKVEETELYLNLERIPWVVRK
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
RELKPQTCTICETTPVNAIDAEMHDLNCSYNICPYCASRLTSDGLARHVTQCPKRKEKVEETELYLNLERIPWVVRK
--------10--------20--------30--------40--------50--------60--------70-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	77	0	0	100.0

Content subtype: combined_17383_2l7x.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	8		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	373		100.0 (chain: A, length: 77)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	1445 (1)	noe	97.4 (chain: A, length: 77)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 77, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 155
  - ¹³C chemical shifts: 148
  - ¹⁵N chemical shifts: 70
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- 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	473	154	32.6
¹³C chemical shifts	350	148	42.3
¹⁵N chemical shifts	85	70	82.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	150	144	96.0
¹³C chemical shifts	154	77	50.0
¹⁵N chemical shifts	72	70	97.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	323	10	3.1
¹³C chemical shifts	196	71	36.2
¹⁵N chemical shifts	13	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	44	0	0.0
¹³C chemical shifts	44	4	9.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	0	0.0
¹³C chemical shifts	21	0	0.0
¹⁵N chemical shifts	1	0	0.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 77, Sequence coverage: 97.4%
- Total number of restraints: 1438
- Weight of restraints: 1.0 (1438)
- Potential type of restraints: upper-bound-parabolic (1438)
- Range of distance target values: 2.7, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
- Distance restraints on contact map

Keywords CRIMEAN CONGO, CYTOPLASMIC TAIL, NMR, ZINC FINGER

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Found 1 Document (0.572 seconds)

BMRB: 17383

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CRIMEAN CONGO GN ZINC FINGER, : 1 : 1 : 9 entities Detail

Experiments performed 9 experiments Detail

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NMR combined restraints 3 contents Detail