BMRB Entry 19038
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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/BMR19038
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Hiruma, Yoshitaka; Hass, Mathias; Kikui, Yuki; Liu, Wei-Min; Olmez, Betul; Skinner, Simon; Blok, Anneloes; Kloosterman, Alexander; Koteishi, Hiroyasu; Lohr, Frank; Schwalbe, Harald; Nojiri, Masaki; Ubbink, Marcellus. "The structure of the cytochrome p450cam-putidaredoxin complex determined by paramagnetic NMR spectroscopy and crystallography." J. Mol. Biol. 425, 4353-4365 (2013).
PubMed: 23856620
Assembly members:
entity_1, polymer, 404 residues, 45528.285 Da.
entity_2, polymer, 106 residues, 11412.917 Da.
entity_HEM, non-polymer, 616.487 Da.
entity_CAM, non-polymer, 152.233 Da.
entity_FES, non-polymer, 175.820 Da.
Natural source: Common Name: Pseudomonas putida Taxonomy ID: 303 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas putida
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
entity_1: LAPLPPHVPEHLVFDFDMYN
PSNLSAGVQEAWAVLQESNV
PDLVWTRCNGGHWIATRGQL
IREAYEDYRHFSSECPFIPR
EAGEAYDFIPTSMDPPEQRQ
FRALANQVVGMPVVDKLENR
IQELACSLIESLRPQGQCNF
TEDYAEPFPIRIFMLLAGLP
EEDIPHLKYLTDQMTRPDGS
MTFAEAKEALYDYLIPIIEQ
RRQKPGTDAISIVANGQVNG
RPITSDEAKRMCGLLLVGGL
DTVVNFLSFSMEFLAKSPEH
RQELIQRPERIPAACEELLR
RFSLVADGRILTSDYEFHGV
QLKKGDQILLPQMLSGLDER
ENACPMHVDFSRQKVSHTTF
GHGSHLCLGQHLARREIIVT
LKEWLTRIPDFSIAPGAQIQ
HKSGIVSGVQALPLVWDPAT
TKAV
entity_2: SKVVYVSHDGTRRELDVADG
VSLMQAAVSNGIYDIVGDCG
GSASCATCHVYVNEAFTDKV
PAANEREIGMLESVTAELKP
NSRLCCQIIMTPELDGIVVD
VPDRQW
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 247 |
| 1H chemical shifts | 247 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Camphor 5-monooxygenase | 1 |
| 2 | Putidaredoxin | 2 |
| 3 | PROTOPORPHYRIN IX CONTAINING FE | 3 |
| 4 | N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_1 | 4 |
| 5 | N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_1 | 4 |
| 6 | N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_1 | 4 |
| 7 | N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_1 | 4 |
| 8 | N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_1 | 4 |
| 9 | N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_1 | 4 |
| 10 | N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_1 | 4 |
| 11 | FE2/S2 (INORGANIC) CLUSTER | 5 |
Entities:
Entity 1, Camphor 5-monooxygenase 404 residues - 45528.285 Da.
| 1 | LEU | ALA | PRO | LEU | PRO | PRO | HIS | VAL | PRO | GLU | ||||
| 2 | HIS | LEU | VAL | PHE | ASP | PHE | ASP | MET | TYR | ASN | ||||
| 3 | PRO | SER | ASN | LEU | SER | ALA | GLY | VAL | GLN | GLU | ||||
| 4 | ALA | TRP | ALA | VAL | LEU | GLN | GLU | SER | ASN | VAL | ||||
| 5 | PRO | ASP | LEU | VAL | TRP | THR | ARG | CYS | ASN | GLY | ||||
| 6 | GLY | HIS | TRP | ILE | ALA | THR | ARG | GLY | GLN | LEU | ||||
| 7 | ILE | ARG | GLU | ALA | TYR | GLU | ASP | TYR | ARG | HIS | ||||
| 8 | PHE | SER | SER | GLU | CYS | PRO | PHE | ILE | PRO | ARG | ||||
| 9 | GLU | ALA | GLY | GLU | ALA | TYR | ASP | PHE | ILE | PRO | ||||
| 10 | THR | SER | MET | ASP | PRO | PRO | GLU | GLN | ARG | GLN | ||||
| 11 | PHE | ARG | ALA | LEU | ALA | ASN | GLN | VAL | VAL | GLY | ||||
| 12 | MET | PRO | VAL | VAL | ASP | LYS | LEU | GLU | ASN | ARG | ||||
| 13 | ILE | GLN | GLU | LEU | ALA | CYS | SER | LEU | ILE | GLU | ||||
| 14 | SER | LEU | ARG | PRO | GLN | GLY | GLN | CYS | ASN | PHE | ||||
| 15 | THR | GLU | ASP | TYR | ALA | GLU | PRO | PHE | PRO | ILE | ||||
| 16 | ARG | ILE | PHE | MET | LEU | LEU | ALA | GLY | LEU | PRO | ||||
| 17 | GLU | GLU | ASP | ILE | PRO | HIS | LEU | LYS | TYR | LEU | ||||
| 18 | THR | ASP | GLN | MET | THR | ARG | PRO | ASP | GLY | SER | ||||
| 19 | MET | THR | PHE | ALA | GLU | ALA | LYS | GLU | ALA | LEU | ||||
| 20 | TYR | ASP | TYR | LEU | ILE | PRO | ILE | ILE | GLU | GLN | ||||
| 21 | ARG | ARG | GLN | LYS | PRO | GLY | THR | ASP | ALA | ILE | ||||
| 22 | SER | ILE | VAL | ALA | ASN | GLY | GLN | VAL | ASN | GLY | ||||
| 23 | ARG | PRO | ILE | THR | SER | ASP | GLU | ALA | LYS | ARG | ||||
| 24 | MET | CYS | GLY | LEU | LEU | LEU | VAL | GLY | GLY | LEU | ||||
| 25 | ASP | THR | VAL | VAL | ASN | PHE | LEU | SER | PHE | SER | ||||
| 26 | MET | GLU | PHE | LEU | ALA | LYS | SER | PRO | GLU | HIS | ||||
| 27 | ARG | GLN | GLU | LEU | ILE | GLN | ARG | PRO | GLU | ARG | ||||
| 28 | ILE | PRO | ALA | ALA | CYS | GLU | GLU | LEU | LEU | ARG | ||||
| 29 | ARG | PHE | SER | LEU | VAL | ALA | ASP | GLY | ARG | ILE | ||||
| 30 | LEU | THR | SER | ASP | TYR | GLU | PHE | HIS | GLY | VAL | ||||
| 31 | GLN | LEU | LYS | LYS | GLY | ASP | GLN | ILE | LEU | LEU | ||||
| 32 | PRO | GLN | MET | LEU | SER | GLY | LEU | ASP | GLU | ARG | ||||
| 33 | GLU | ASN | ALA | CYS | PRO | MET | HIS | VAL | ASP | PHE | ||||
| 34 | SER | ARG | GLN | LYS | VAL | SER | HIS | THR | THR | PHE | ||||
| 35 | GLY | HIS | GLY | SER | HIS | LEU | CYS | LEU | GLY | GLN | ||||
| 36 | HIS | LEU | ALA | ARG | ARG | GLU | ILE | ILE | VAL | THR | ||||
| 37 | LEU | LYS | GLU | TRP | LEU | THR | ARG | ILE | PRO | ASP | ||||
| 38 | PHE | SER | ILE | ALA | PRO | GLY | ALA | GLN | ILE | GLN | ||||
| 39 | HIS | LYS | SER | GLY | ILE | VAL | SER | GLY | VAL | GLN | ||||
| 40 | ALA | LEU | PRO | LEU | VAL | TRP | ASP | PRO | ALA | THR | ||||
| 41 | THR | LYS | ALA | VAL |
Entity 2, Putidaredoxin 106 residues - 11412.917 Da.
| 1 | SER | LYS | VAL | VAL | TYR | VAL | SER | HIS | ASP | GLY | ||||
| 2 | THR | ARG | ARG | GLU | LEU | ASP | VAL | ALA | ASP | GLY | ||||
| 3 | VAL | SER | LEU | MET | GLN | ALA | ALA | VAL | SER | ASN | ||||
| 4 | GLY | ILE | TYR | ASP | ILE | VAL | GLY | ASP | CYS | GLY | ||||
| 5 | GLY | SER | ALA | SER | CYS | ALA | THR | CYS | HIS | VAL | ||||
| 6 | TYR | VAL | ASN | GLU | ALA | PHE | THR | ASP | LYS | VAL | ||||
| 7 | PRO | ALA | ALA | ASN | GLU | ARG | GLU | ILE | GLY | MET | ||||
| 8 | LEU | GLU | SER | VAL | THR | ALA | GLU | LEU | LYS | PRO | ||||
| 9 | ASN | SER | ARG | LEU | CYS | CYS | GLN | ILE | ILE | MET | ||||
| 10 | THR | PRO | GLU | LEU | ASP | GLY | ILE | VAL | VAL | ASP | ||||
| 11 | VAL | PRO | ASP | ARG | GLN | TRP |
Entity 3, PROTOPORPHYRIN IX CONTAINING FE - C34 H32 Fe N4 O4 - 616.487 Da.
| 1 | HEM |
Entity 4, N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_1 - C10 H16 O - 152.233 Da.
| 1 | CAM |
Entity 5, FE2/S2 (INORGANIC) CLUSTER - Fe2 S2 - 175.820 Da.
| 1 | FES |
Samples:
sample_1: Camphor 5-monooxygenase, [U-95% 15N], 100 uM; Putidaredoxin, [U-95% 15N], 100 uM
sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 290 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
- Bruker Avance 950 MHz
Related Database Links:
| UNP | P00183 P00259 |
| BMRB | 16753 17415 19740 19763 1551 16753 2278 4149 4154 |
| PDB | |
| DBJ | BAN13286 BAA00414 BAN13288 |
| GB | AAA25760 AAA25759 |
| REF | WP_032492633 YP_009083112 WP_032492635 YP_009083114 |
| SP | P00183 P00259 |
| AlphaFold | P00183 P00183 P00259 P00259 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks