BMRB Entry 18700
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18700
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Title: The solution structure of XIAP(RING)-binding domain of human XAF1 PubMed: 22811387
Deposition date: 2012-09-03 Original release date: 2013-02-12
Authors: Tse, Man Kit; Cho, Chi Kong; Guan, Xiao; Sze, Kong Hung
Citation: Tse, Man Kit; Cho, Chi Kong; Wong, Wai Fung; Zou, Bing; Hui, Sin Kam; Wong, Benjamin Chun Yu; Sze, Kong Hung. "Domain organization of XAF1 and the identification and characterization of XIAP(RING) -binding domain of XAF1." Protein Sci. 21, 1418-1428 (2012).
Assembly members:
entity_1, polymer, 55 residues, 6202.163 Da.
ZINC ION, non-polymer, 65.409 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GSEFTSSPRGDKAAYDILRR
CSQCGILLPLPILNQHQEKC
RWLASSKGKQVRNFS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 237 |
| 15N chemical shifts | 57 |
| 1H chemical shifts | 382 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | XIAP(RING)-binding domain of XAF1 | 1 |
| 2 | ZINC ION | 2 |
Entities:
Entity 1, XIAP(RING)-binding domain of XAF1 55 residues - 6202.163 Da.
| 1 | GLY | SER | GLU | PHE | THR | SER | SER | PRO | ARG | GLY | ||||
| 2 | ASP | LYS | ALA | ALA | TYR | ASP | ILE | LEU | ARG | ARG | ||||
| 3 | CYS | SER | GLN | CYS | GLY | ILE | LEU | LEU | PRO | LEU | ||||
| 4 | PRO | ILE | LEU | ASN | GLN | HIS | GLN | GLU | LYS | CYS | ||||
| 5 | ARG | TRP | LEU | ALA | SER | SER | LYS | GLY | LYS | GLN | ||||
| 6 | VAL | ARG | ASN | PHE | SER |
Entity 2, ZINC ION - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: XAF1, [U-100% 13C; U-100% 15N], 1.2 mM; BisTris-HCl 20 mM; sodium chloride 150 mM; DTT, D10, 5 mM; PMSF 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.15 M; pH: 6.7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - automated peak assignments, structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAF82965 BAF85399 BAF85537 BAG51823 |
| GB | AAH73156 AIC51642 EAW90287 EAW90288 EAW90289 |
| REF | NP_059993 NP_954590 XP_001167990 XP_003274639 XP_003274640 |
| SP | Q6GPH4 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts