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2W0A

CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-METHYL-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A
(A)
CYTOCHROME P450 51polymer45551491.31UniProt (P0A512)
Pfam (PF00067)
UniProt (by SIFTS) (P9WPP9)
MYCOBACTERIUM TUBERCULOSISCYP51, CYPLI, P450-LIA1, STEROL 14-ALPHA DEMETHYLASE, LANOSTEROL 14-ALPHA DEMETHYLASE, P450-14DM
2B
(A)
PROTOPORPHYRIN IX CONTAINING FEnon-polymer616.51Chemie (HEM)
3C
(A)
N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamidenon-polymer303.41Chemie (CII)
4D
(A)
waterwater18.0285Chemie (HOH)
Sequence modifications
A: 1 - 451 (UniProt: P0A512)
PDBExternal DatabaseDetails
Leu 37Cys 37engineered mutation
Ala 86Gly 86conflict
Ala 442Cys 442engineered mutation
A: 452 - 455 (PDB: 2W0A)
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight51491.3
Non-Polymers*Number of molecules2
Total formula weight919.9
All*Total formula weight52411.2
*Water molecules are not included.

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PDB entries from 2024-11-06

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