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Structural Information for 1pya

The following displays the crystal structure (as found in 1pya, the primary PDB code for the entry) with each catalytic domain highlighted. The catalytic residues are also highlighed in teal and shown in wireframe depiction. Domains which are not classified as catalytic are shown in grey.

This enzyme has 3 catalytic sites (as determined by the Catalytic Site Atlas), only one of which is shown highlighed by CATH domain.
Site 1 covers chains A, F and E.
Site 2 covers chains A, C and B.
Site 3 covers chains C, D and E.


The Catalytic Domains:

  • 1pyaA00 (Code: 4.10.510.10) spans residues 1-81 in chain A (shown in blue)
  • 1pyaE00 (Code: 4.10.510.10) spans residues 1-81 in chain E (shown in red)
  • 1pyaF00 (Code: 3.50.20.10) spans residues 83-310 in chain F (shown in green)
  • There is 1 catalytic residues within an unassigned CATH domain: Pvl82F

The Catalytic Residues

The following shows the catalytic residues (the catalytic residue in focus is labelled in red) and the residues which are donating hydrogen bonds (labelled in blue) and accepting hydrogen bonds (labelled in green).

Tyr 62 A

Residues Contacting Tyr62A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
18.7871
(0.6515)
20.2 3 1

Glu 66 A

Residues Contacting Glu66A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
22.8944
(0.6938)
39 3 1

Ser 81 E

Residues Contacting Ser81E

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
16.3966
(0.5275)
71.5 5 2

Phe 195 F

Residues Contacting Phe195F

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
11.945
(0.1812)
9.1 1 1

Glu 197 F

Residues Contacting Glu197F

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
17.653
(0.5933)
6.1 0 1

Pvl 82 F

This residue does not appear to have any contacts to other species in the PDB file.

.
B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors

()
0 0

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