PDB 4nbl biological assemblies and structure analysis ‹ Protein Data Bank in Europe (PDBe)

Assemblies

Assembly 1 (preferred)

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Assembly Name: Caspase-6
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Multimeric state: homo dimer

Accessible surface area: 21151.64 Å²

Buried surface area: 4675.73 Å²

Dissociation area: 1,786.99 Å²

Dissociation energy (ΔG^diss): 15.65 kcal/mol

Dissociation entropy (TΔS^diss): 13.45 kcal/mol

Symmetry number: 2

PDBe Complex ID: PDB-CPX-157270

$Homo dimeric assembly 1 of PDB entry 4nbl coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>2 copies of Caspase-6;</li> <li class='image_legend_li'>1 copy of 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol;</li> <li class='image_legend_li'>6 copies of PHOSPHATE ION;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Homo dimeric assembly 1 of PDB entry 4nbl coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>2 copies of Caspase-6;</li> <li class='image_legend_li'>1 copy of 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol;</li> <li class='image_legend_li'>6 copies of PHOSPHATE ION;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Homo dimeric assembly 1 of PDB entry 4nbl coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>2 copies of Caspase-6;</li> <li class='image_legend_li'>1 copy of 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol;</li> <li class='image_legend_li'>6 copies of PHOSPHATE ION;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Macromolecules

Caspase-6

Chains: A, B
Length: 282 amino acids
Theoretical weight: 32.31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:

Canonical: P55212 (Residues: 24-293; Coverage: 92%)

Gene names: CASP6, MCH2
Pfam: Caspase domain
InterPro:

Peptidase C14 family
Caspase-like domain superfamily
Peptidase C14A, caspase catalytic domain
Peptidase C14, p20 domain
Peptidase C14, caspase domain
Peptidase family C14A, His active site
Peptidase C14, caspase non-catalytic subunit p10

CATH: Rossmann fold

Caspase-6 in PDB entry 4nbl, assembly 1, front view.

Caspase-6 in PDB entry 4nbl, assembly 1, side view.

Caspase-6 in PDB entry 4nbl, assembly 1, top view.

FASTA Sequence


    >pdb|4nbl|A B

MGSAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQAARGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSNGNSHHHHHH

PDBe-KB: UniProt Coverage View: P55212

Molecule details ›

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FASTA (Protein chains A, B)
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Structure Factors
SIFTS XML file with residue-level mappings

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BLAST P55212 (UniProt)

Protein Data Bank in Europe

Tailoring Small Molecules for an Allosteric Site on Procaspase-6

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Assemblies

Assembly 1 (preferred)

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PDBe › 4nbl › Structure analysis

Tailoring Small Molecules for an Allosteric Site on Procaspase-6

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Assemblies

Assembly 1 (preferred)

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4nbl › Structure analysis