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Structural Information for 1qq5

The following displays the crystal structure (as found in 1qq5, 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 6 catalytic sites (as determined by the Catalytic Site Atlas), only one of which is shown highlighed by CATH domain.
Site 1 covers chain A.
Site 2 covers chain B.
Site 3 covers chain A.
Site 4 covers chain B.
Site 5 covers chain A.
Site 6 covers chain B.


The Catalytic Domains:

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).

Asp 8 A

Residues Contacting Asp8A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
15.4987
(0.8628)
110.2 5 1

Thr 12 A

Residues Contacting Thr12A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
15.08
(0.2364)
0 3 3

Arg 39 A

Residues Contacting Arg39A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
38.9863
(0.9333)
14.4 1 6

Asn 115 A

Residues Contacting Asn115A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
9.718
(0.7397)
47.6 2 3

Lys 147 A

Residues Contacting Lys147A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
25.3011
(0.4212)
38.4 1 5

Ser 171 A

Residues Contacting Ser171A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
17.6816
(0.1654)
2.8 2 4

Asn 173 A

Residues Contacting Asn173A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
12.3075
(0.1408)
2 6 3

Phe 175 A

Residues Contacting Phe175A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
10.55
(0.0376)
2.1 3 1

Asp 176 A

Residues Contacting Asp176A

B Factor
(normalised)
Relative Solvent Accessibility Number of H-Bond Donors Number of H-Bond Acceptors
12.1837
(0.6882)
27.7 4 1

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