Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone
Karasawa, M., Stanfield, J.K., Kasai, C., Sugimoto, H., Shoji, O.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Bifunctional cytochrome P450/NADPH--P450 reductase | 456 | Priestia megaterium | Mutation(s): 0  Gene Names: cyp102A1 EC: 1.14.14.1 (PDB Primary Data), 1.6.2.4 (PDB Primary Data) | ||
UniProt | |||||
Find proteins for P14779 (Priestia megaterium (strain ATCC 14581 / DSM 32 / CCUG 1817 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512 / Ford 19)) Explore P14779  Go to UniProtKB:  P14779 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P14779 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 3 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
MI9 (Subject of Investigation/LOI) Query on MI9 | C [auth A], G [auth B] | Oxomolybdenum Mesoporphyrin IX C34 H36 Mo N4 O5 BVPDTXBFNWLJAZ-HXFTUNQESA-L | |||
EWM (Subject of Investigation/LOI) Query on EWM | D [auth A], H [auth B] | N-[(3S)-2-oxooxolan-3-yl]dodecanamide C16 H29 N O3 WILLZMOKUUPJSL-AWEZNQCLSA-N | |||
GOL Query on GOL | E [auth A], F [auth A], I [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |
Length ( ? ) | Angle ( ? ) |
---|---|
a = 58.295 | ¦Á = 90 |
b = 121.827 | ¦Â = 90 |
c = 148.689 | ¦Ă = 90 |
Software Name | Purpose |
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XDS | data reduction |
XSCALE | data scaling |
MOLREP | phasing |
REFMAC | refinement |
PDB_EXTRACT | data extraction |
Funding Organization | Location | Grant Number |
---|---|---|
Japan Society for the Promotion of Science (JSPS) | Japan | JP15H05806 |
Japan Society for the Promotion of Science (JSPS) | Japan | JP19J23669 |
Japan Society for the Promotion of Science (JSPS) | Japan | JP21H04704 |
Japan Science and Technology | Japan | JPMJCR15P3 |