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Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6

X-ray diffraction
2.5Å resolution
PDB entry 5ibj coloured by chain, front view.
PDB entry 5ibj coloured by chain, side view.
PDB entry 5ibj coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Mycocyclosin synthase
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Multimeric state: monomeric
Accessible surface area: 16291.28 Å2
Buried surface area: 2135.09 Å2
Dissociation area: 70.05 Å2
Dissociation energy (ΔGdiss): 9.1 kcal/mol
Dissociation entropy (TΔSdiss): 0.59 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162003

Macromolecules

Mycocyclosin synthase
Chain: A
Length: 396 amino acids
Theoretical weight: 43.31 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WPP7 (Residues: 1-396; Coverage: 100%)
Gene names: MTCY339.34c, Rv2276, cyp121
Pfam: Cytochrome P450
InterPro:
CATH: Cytochrome P450
Mycocyclosin synthase in PDB entry 5ibj, assembly 1, front view.
Mycocyclosin synthase in PDB entry 5ibj, assembly 1, side view.
Mycocyclosin synthase in PDB entry 5ibj, assembly 1, top view.
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