BMRB Entry 18335
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18335
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Title: Structure and orientation of the gH625-644 membrane interacting region of herpes simplex virus type 1 in a membrane mimetic system. PubMed: 22397737
Deposition date: 2012-03-19 Original release date: 2012-04-16
Authors: Isernia, Carla; Galdiero, Stefania; Russo, Luigi; Falanga, Annarita; Cantisani, Marco; Vitiello, MariaTeresa; Fattorusso, Roberto; Malgieri, Gaetano; Galdiero, Massimiliano
Citation: Galdiero, Stefania; Russo, Luigi; Falanga, Annarita; Cantisani, Marco; Vitiello, Mariateresa; Fattorusso, Roberto; Malgieri, Gaetano; Galdiero, Massimiliano; Isernia, Carla. "Structure and orientation of the gH625-644 membrane interacting region of herpes simplex virus type 1 in a membrane mimetic system." Biochemistry 51, 3121-3128 (2012).
Assembly members:
entity_1, polymer, 20 residues, 2302.661 Da.
ACETYL GROUP, non-polymer, 44.053 Da.
N'-{4-[2-(DIAMINOMETHYLIDENE)HYDRAZONO]CYCLOHEXYLIDEN}AMINOMETHANEHYDRAZONAMIDE, non-polymer, 224.266 Da.
Natural source: Common Name: HSV-1 Taxonomy ID: 10298 Superkingdom: Viruses Kingdom: not available Genus/species: Simplexvirus not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: HGLASTLTRWAHYNALIRAF
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 105 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | gH625-644 | 1 |
| 2 | ACETYL GROUP | 2 |
| 3 | N'-{4-[2-(DIAMINOMETHYLIDENE)HYDRAZONO]CYCLOHEXYLIDEN}AMINOMETHANEHYDRAZONAMIDE | 3 |
Entities:
Entity 1, gH625-644 20 residues - 2302.661 Da.
| 1 | HIS | GLY | LEU | ALA | SER | THR | LEU | THR | ARG | TRP | |
| 2 | ALA | HIS | TYR | ASN | ALA | LEU | ILE | ARG | ALA | PHE |
Entity 2, ACETYL GROUP - C2 H4 O - 44.053 Da.
| 1 | ACE |
Entity 3, N'-{4-[2-(DIAMINOMETHYLIDENE)HYDRAZONO]CYCLOHEXYLIDEN}AMINOMETHANEHYDRAZONAMIDE - C8 H16 N8 - 224.266 Da.
| 1 | NHH |
Samples:
sample_1: gH625-644 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Varian Unity 500 MHz