BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	91.3 % (1184 of 1297)	89.6 % (597 of 666)	92.3 % (477 of 517)	96.5 % (110 of 114)
Backbone	96.0 % (649 of 676)	95.3 % (222 of 233)	96.1 % (322 of 335)	97.2 % (105 of 108)
Sidechain	86.9 % (631 of 726)	85.2 % (369 of 433)	89.5 % (257 of 287)	83.3 % (5 of 6)
Aromatic	79.3 % (65 of 82)	80.5 % (33 of 41)	80.0 % (32 of 40)	0.0 % (0 of 1)
Methyl	93.7 % (133 of 142)	94.4 % (67 of 71)	93.0 % (66 of 71)

1. entity 1

MDKLRLKGVS YSLCTAAFTF TKIPAETLHG TVTVEVQYAG TDGPCKVPAQ MAVDMQTLTP VGRLITANPV ITESTENSKM MLELDPPFGD SYIVIGVGEK KITHHWHRSG STIGK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details 800 uM 15N,13C ZIKA Envelope DIII, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details 400 uM 2H,13C,15N ZIKA Envelope DIII, 20 mM sodium phosphate, 50 mM sodium chloride, 440 uM ZKA190 Fab, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	ZIKA Envelope DIII	[U-2H; U-15N; U-13C]	400 (±10.0) uM
5	ZKA190 Fab	natural abundance	440 (±10.0) uM
6	sodium chloride	natural abundance	50 (±1.0) mM
7	sodium phosphate	natural abundance	20 (±1.0) mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.73 ppm	internal	indirect	0.2514495
¹H	water	protons	4.73 ppm	internal	direct	1.0
¹⁵N	water	protons	4.73 ppm	internal	indirect	0.101329

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.73 ppm	internal	indirect	0.2514495
¹H	water	protons	4.73 ppm	internal	direct	1.0
¹⁵N	water	protons	4.73 ppm	internal	indirect	0.101329

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.73 ppm	internal	indirect	0.2514495
¹H	water	protons	4.73 ppm	internal	direct	1.0
¹⁵N	water	protons	4.73 ppm	internal	indirect	0.101329

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.73 ppm	internal	indirect	0.2514495
¹H	water	protons	4.73 ppm	internal	direct	1.0
¹⁵N	water	protons	4.73 ppm	internal	indirect	0.101329

Referencing offset: 0.42 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5OMZ, Strand ID: A Detail

Release date

2017-09-24

Citation

A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential
Wang, J., Bardelli, M., Espinosa, D.A., Pedotti, M., Ng, T.S., Bianchi, S., Simonelli, L., Lim, E.X.Y., Foglierini, M., Zatta, F., Jaconi, S., Beltramello, M., Cameroni, E., Fibriansah, G., Shi, J., Barca, T., Pagani, I., Rubio, A., Broccoli, V., Vicenzi, E., Graham, V., Pullan, S., Dowall, S., Hewson, R., Jurt, S., Zerbe, O., Stettler, K., Lanzavecchia, A., Sallusto, F., Cavalli, A., Harris, E., Lok, S.M., Varani, L., Corti, D.
Cell (2017), 171, 229-241, PubMed 28938115 , DOI 10.1016/j.cell.2017.09.002 , Abstract

Related entities 1. Envelope Protein, : 1 : 29 : 10 : 139 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AV-4 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details 800 uM 15N,13C ZIKA Envelope DIII, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

2 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details 400 uM 2H,13C,15N ZIKA Envelope DIII, 20 mM sodium phosphate, 50 mM sodium chloride, 440 uM ZKA190 Fab, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	ZIKA Envelope DIII	[U-2H; U-15N; U-13C]	400 (±10.0) uM
5	ZKA190 Fab	natural abundance	440 (±10.0) uM
6	sodium chloride	natural abundance	50 (±1.0) mM
7	sodium phosphate	natural abundance	20 (±1.0) mM

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

4 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

5 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

6 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	ZIKA Envelope DIII	[U-2H; U-15N; U-13C]	400 (±10.0) uM
5	ZKA190 Fab	natural abundance	440 (±10.0) uM
6	sodium chloride	natural abundance	50 (±1.0) mM
7	sodium phosphate	natural abundance	20 (±1.0) mM

7 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

8 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

10 3D HN(CA)CO

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

11 3D HBHA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

12 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

13 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	ZIKA Envelope DIII	[U-2H; U-15N; U-13C]	400 (±10.0) uM
5	ZKA190 Fab	natural abundance	440 (±10.0) uM
6	sodium chloride	natural abundance	50 (±1.0) mM
7	sodium phosphate	natural abundance	20 (±1.0) mM

14 3D H(C)CH

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

15 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

16 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ZIKA Envelope DIII	[U-15N; U-13C]	800 uM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_34167_5omz.nef
Input source #2: Coordindates	5omz.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
MDKLRLKGVSYSLCTAAFTFTKIPAETLHGTVTVEVQYAGTDGPCKVPAQMAVDMQTLTPVGRLITANPVITESTENSKMMLELDPPFGDSYIVIGVGEK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MDKLRLKGVSYSLCTAAFTFTKIPAETLHGTVTVEVQYAGTDGPCKVPAQMAVDMQTLTPVGRLITANPVITESTENSKMMLELDPPFGDSYIVIGVGEK

-------110-----
KITHHWHRSGSTIGK
|||||||||||||||
KITHHWHRSGSTIGK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	115	0	0	100.0

Content subtype: combined_34167_5omz.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1171		100.0 (chain: A, length: 115)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	1586 (1)	noe	96.5 (chain: A, length: 115)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 115, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 587
  - ¹³C chemical shifts: 474
  - ¹⁵N chemical shifts: 110
- 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	666	587	88.1
¹³C chemical shifts	517	474	91.7
¹⁵N chemical shifts	117	110	94.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	233	222	95.3
¹³C chemical shifts	230	214	93.0
¹⁵N chemical shifts	108	105	97.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	433	365	84.3
¹³C chemical shifts	287	260	90.6
¹⁵N chemical shifts	9	5	55.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	76	67	88.2
¹³C chemical shifts	76	66	86.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	41	32	78.0
¹³C chemical shifts	40	32	80.0
¹⁵N chemical shifts	1	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 115, Sequence coverage: 96.5%
- Total number of restraints: 1582
- Weight of restraints: 1.0 (1582)
- Potential type of restraints: upper-bound-parabolic (1582)
- Range of distance target values: 2.32, 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 VIRAL PROTEIN, ZIKA virus Envelope protein domain, ZIKV

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Found 1 Document (0.612 seconds)

BMRB: 34167

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Envelope Protein, : 1 : 29 : 10 : 139 entities Detail

Experiments performed 16 experiments Detail

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NMR combined restraints 3 contents Detail