BMRB Entry 5627
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5627
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Citation: Coggins, Brian; Li, Xuechen; McClerren, Amanda; Hindsgaul, Ole; Raetz, Christian; Zhou, Pei. "Structure of the LpxC Deacetylase with a Bound Substrate-analog Inhibitor" Nat. Struct. Biol. 10, 645-651 (2003).
PubMed: 12833153
Assembly members:
UDP-3-O-acyl-GlcNAc deacetylase, polymer, 282 residues, 32145 Da.
ZN, non-polymer, 65.409 Da.
TUX, non-polymer, 431.563 Da.
Natural source: Common Name: Aquifex aeolicus Taxonomy ID: 63363 Superkingdom: Bacteria Kingdom: not available Genus/species: Aquifex aeolicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
UDP-3-O-acyl-GlcNAc deacetylase: MGLEKTVKEKLSFEGVGIHT
GEYSKLIIHPEKEGTGIRFF
KNGVYIPARHEFVVHTNHST
DLGFKGQRIKTVEHILSVLH
LLEITNVTIEVIGNEIPILD
GSGWEFYEAIRKNILNQNRE
IDYFVVEEPIIVEDEGRLIK
AEPSDTLEVTYEGEFKNFLG
RQKFTFVEGNEEEIVLARTF
CFDWEIEHIKKVGLGKGGSL
KNTLVLGKDKVYNPEGLRYE
NEPVRHKVFDLIGDLYLLGS
PVKGKFYSFRGGHSLNVKLV
KELAKKQKLTRDLPHLPSVQ
AL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 1889 |
| 13C chemical shifts | 902 |
| 15N chemical shifts | 266 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | A. aeolicus LpxC | 1 |
| 2 | TU-514 | 3 |
| 3 | Zinc ion | 2 |
Entities:
Entity 1, A. aeolicus LpxC 282 residues - 32145 Da.
| 1 | MET | GLY | LEU | GLU | LYS | THR | VAL | LYS | GLU | LYS | ||||
| 2 | LEU | SER | PHE | GLU | GLY | VAL | GLY | ILE | HIS | THR | ||||
| 3 | GLY | GLU | TYR | SER | LYS | LEU | ILE | ILE | HIS | PRO | ||||
| 4 | GLU | LYS | GLU | GLY | THR | GLY | ILE | ARG | PHE | PHE | ||||
| 5 | LYS | ASN | GLY | VAL | TYR | ILE | PRO | ALA | ARG | HIS | ||||
| 6 | GLU | PHE | VAL | VAL | HIS | THR | ASN | HIS | SER | THR | ||||
| 7 | ASP | LEU | GLY | PHE | LYS | GLY | GLN | ARG | ILE | LYS | ||||
| 8 | THR | VAL | GLU | HIS | ILE | LEU | SER | VAL | LEU | HIS | ||||
| 9 | LEU | LEU | GLU | ILE | THR | ASN | VAL | THR | ILE | GLU | ||||
| 10 | VAL | ILE | GLY | ASN | GLU | ILE | PRO | ILE | LEU | ASP | ||||
| 11 | GLY | SER | GLY | TRP | GLU | PHE | TYR | GLU | ALA | ILE | ||||
| 12 | ARG | LYS | ASN | ILE | LEU | ASN | GLN | ASN | ARG | GLU | ||||
| 13 | ILE | ASP | TYR | PHE | VAL | VAL | GLU | GLU | PRO | ILE | ||||
| 14 | ILE | VAL | GLU | ASP | GLU | GLY | ARG | LEU | ILE | LYS | ||||
| 15 | ALA | GLU | PRO | SER | ASP | THR | LEU | GLU | VAL | THR | ||||
| 16 | TYR | GLU | GLY | GLU | PHE | LYS | ASN | PHE | LEU | GLY | ||||
| 17 | ARG | GLN | LYS | PHE | THR | PHE | VAL | GLU | GLY | ASN | ||||
| 18 | GLU | GLU | GLU | ILE | VAL | LEU | ALA | ARG | THR | PHE | ||||
| 19 | CYS | PHE | ASP | TRP | GLU | ILE | GLU | HIS | ILE | LYS | ||||
| 20 | LYS | VAL | GLY | LEU | GLY | LYS | GLY | GLY | SER | LEU | ||||
| 21 | LYS | ASN | THR | LEU | VAL | LEU | GLY | LYS | ASP | LYS | ||||
| 22 | VAL | TYR | ASN | PRO | GLU | GLY | LEU | ARG | TYR | GLU | ||||
| 23 | ASN | GLU | PRO | VAL | ARG | HIS | LYS | VAL | PHE | ASP | ||||
| 24 | LEU | ILE | GLY | ASP | LEU | TYR | LEU | LEU | GLY | SER | ||||
| 25 | PRO | VAL | LYS | GLY | LYS | PHE | TYR | SER | PHE | ARG | ||||
| 26 | GLY | GLY | HIS | SER | LEU | ASN | VAL | LYS | LEU | VAL | ||||
| 27 | LYS | GLU | LEU | ALA | LYS | LYS | GLN | LYS | LEU | THR | ||||
| 28 | ARG | ASP | LEU | PRO | HIS | LEU | PRO | SER | VAL | GLN | ||||
| 29 | ALA | LEU |
Entity 3, TU-514 - C22 H41 N O7 - 431.563 Da.
| 1 | TUX |
Entity 2, Zinc ion - Zn - 65.409 Da.
| 1 | ZN |
Related Database Links:
| BMRB | 17416 |
| PDB | 1P42 1XXE 1YH8 1YHC 2GO3 2GO4 2IER 2IES 2J65 2JT2 2O3Z 3P3C 3P76 4OZE 4U3B 4U3D |
| GB | AAC07605 |
| REF | NP_214214 WP_010881151 |
| SP | O67648 |
| AlphaFold | O67648 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
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