BMRB Entry 19038
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PDB ID: 2m56
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 |
Related Database Links:
| UNP | P00183 P00259 |
| BMRB | 16753 17415 19740 19763 1551 16753 2278 4149 4154 |
| PDB | 1AKD 1C8J 1CP4 1DZ4 1DZ6 1DZ8 1DZ9 1GEB 1GEK 1GEM 1GJM 1IWI 1IWJ 1IWK 1J51 1K2O 1LWL 1MPW 1NOO 1O76 1P2Y 1P7R 1PHA 1PHB 1PHC 1PHD 1PHE 1PHF 1PHG 1QMQ 1RE9 1RF9 1T85 1T86 1T87 1T88 1UYU 1YRC 1YRD 2A1M 2A1N 2A1O 2CP4 2CPP 2FE6 2FER 2FEU 2FRZ 2GQX 2GR6 2H7Q 2H7R 2H7S 2L8M 2LQD 2M56 2QBL 2QBM 2QBN 2QBO 2Z97 2ZAW 2ZAX 2ZUH 2ZUI 2ZUJ 2ZWT 2ZWU 3CP4 3CPP 3FWF 3FWG 3FWI 3FWJ 3L61 3L62 3L63 3OIA 3OL5 3P6M 3P6N 3P6O 3P6P 3P6Q 3P6R 3P6S 3P6T 3P6U 3P6V 3P6W 3P6X 3W9C 3WRH 3WRI 3WRJ 3WRK 3WRL 3WRM 4CP4 4CPP 4EK1 4G3R 4JWS 4JWU 4JX1 4KKY 4L49 4L4A 4L4B 4L4C 4L4D 4L4E 4L4F 4L4G 5CP4 5CPP 6CP4 6CPP 7CPP 8CPP 1GPX 1OQQ 1OQR 1PDX 1PUT 1R7S 1XLN 1XLO 1XLP 1XLQ 1YJI 1YJJ 3LB8 |
| 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