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Calcium in PDB 4hkw: Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II Complexed with Substrate and Products

Enzymatic activity of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II Complexed with Substrate and Products

All present enzymatic activity of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II Complexed with Substrate and Products:
3.2.1.8;

Protein crystallography data

The structure of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II Complexed with Substrate and Products, PDB code: 4hkw was solved by A.Y.Kovalevsky, Q.Wan, P.Langan, L.Coates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.879, 38.428, 56.315, 90.00, 105.93, 90.00
R / Rfree (%) 15.9 / 21.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II Complexed with Substrate and Products (pdb code 4hkw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II Complexed with Substrate and Products, PDB code: 4hkw:

Calcium binding site 1 out of 1 in 4hkw

Go back to Calcium Binding Sites List in 4hkw
Calcium binding site 1 out of 1 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II Complexed with Substrate and Products


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II Complexed with Substrate and Products within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca407

b:16.8
occ:1.00
 O A:HOH1108 2.4 26.5 1.0
O A:PHE93 2.4 10.8 1.0
OD1 A:ASN92 2.5 12.1 1.0
O A:HOH1101 2.5 17.8 1.0
ND1 A:HIS144 2.5 15.5 1.0
O A:HOH1096 2.6 27.2 1.0
O A:HOH1181 2.6 31.2 1.0
CE1 A:HIS144 3.4 15.2 1.0
CG A:HIS144 3.6 10.3 1.0
CG A:ASN92 3.6 11.6 1.0
C A:PHE93 3.7 15.1 1.0
CB A:HIS144 3.9 13.1 1.0
N A:PHE93 3.9 7.3 1.0
ND2 A:ASN92 4.2 11.1 1.0
CA A:PHE93 4.5 12.8 1.0
O A:HOH1210 4.5 41.4 1.0
NE2 A:HIS144 4.6 17.4 1.0
N A:GLY94 4.6 9.0 1.0
O A:GLY94 4.6 15.6 1.0
CA A:GLY94 4.7 15.8 1.0
O A:HOH1150 4.7 28.5 1.0
CD2 A:HIS144 4.7 12.6 1.0
CB A:ASN92 4.8 8.8 1.0
O A:HOH1205 4.8 34.1 1.0
C A:ASN92 4.9 10.0 1.0
O A:HOH1240 4.9 57.5 1.0
CA A:ASN92 4.9 11.4 1.0

Reference:

Q.Wan, Q.Zhang, S.Hamilton-Brehm, K.Weiss, M.Mustyakimov, L.Coates, P.Langan, D.Graham, A.Kovalevsky. X-Ray Crystallographic Studies of Family 11 Xylanase Michaelis and Product Complexes: Implications For the Catalytic Mechanism. Acta Crystallogr.,Sect.D V. 70 11 2014.
ISSN: ISSN 0907-4449
PubMed: 24419374
DOI: 10.1107/S1399004713023626
Page generated: Sat Dec 12 04:50:23 2020

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