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Calcium in PDB 1uww: X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28.

Enzymatic activity of X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28.

All present enzymatic activity of X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28.:
3.2.1.4;

Protein crystallography data

The structure of X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28., PDB code: 1uww was solved by S.Jamal, D.Nurizzo, A.Boraston, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.90 / 1.4
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.866, 65.926, 103.633, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 20.8

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28. (pdb code 1uww). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28., PDB code: 1uww:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1uww

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Calcium binding site 1 out of 6 in the X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1192

b:17.5
occ:1.00
 O A:ASN51 2.3 17.9 1.0
O A:HOH2154 2.4 19.2 1.0
OE2 A:GLU23 2.4 21.1 1.0
O A:VAL21 2.4 17.9 1.0
OG A:SER50 2.4 20.1 1.0
OD2 A:ASP184 2.5 17.8 1.0
OD1 A:ASP184 2.5 17.4 1.0
CG A:ASP184 2.8 17.3 1.0
C A:ASN51 3.4 17.8 1.0
C A:VAL21 3.5 18.1 1.0
CD A:GLU23 3.5 23.3 1.0
N A:ASN51 3.6 19.8 1.0
CB A:SER50 3.6 20.8 1.0
CA A:ASN51 4.0 19.8 1.0
CG A:GLU23 4.0 21.9 1.0
CA A:VAL21 4.1 17.9 1.0
O A:HOH2156 4.1 23.4 1.0
C A:SER50 4.2 20.6 1.0
CB A:ASP184 4.3 15.3 1.0
CB A:VAL21 4.3 18.8 1.0
O A:HOH2047 4.4 25.5 1.0
OD1 A:ASN185 4.4 18.1 1.0
CA A:SER50 4.4 20.7 1.0
N A:ALA52 4.5 18.3 1.0
OE1 A:GLU23 4.5 24.2 1.0
N A:PHE22 4.6 17.8 1.0
CB A:ASN51 4.6 20.4 1.0
CB A:PHE22 4.7 18.3 1.0
C A:PHE22 4.7 19.7 1.0
O A:PHE22 4.8 20.3 1.0
CA A:PHE22 4.9 18.3 1.0
CA A:ALA52 4.9 17.5 1.0
O A:SER50 4.9 22.7 1.0
CG A:ASN185 5.0 18.3 1.0

Calcium binding site 2 out of 6 in 1uww

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Calcium binding site 2 out of 6 in the X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1193

b:22.0
occ:1.00
 O A:PRO97 2.3 20.1 1.0
O A:HOH2086 2.4 29.1 1.0
O A:HOH2118 2.4 22.6 1.0
OD1 A:ASP96 2.4 22.4 1.0
O A:HOH2089 2.5 30.2 1.0
C A:PRO97 3.5 19.4 1.0
CG A:ASP96 3.6 22.8 1.0
O A:HOH2087 3.9 21.2 1.0
OD2 A:ASP96 4.1 27.5 1.0
N A:PRO97 4.2 19.5 1.0
C A:ASP96 4.3 19.0 1.0
N A:VAL98 4.4 19.7 1.0
O A:GLY141 4.4 23.5 1.0
CA A:PRO97 4.5 19.6 1.0
O A:ASP96 4.5 18.7 1.0
O A:HOH2088 4.5 22.4 1.0
CA A:VAL98 4.6 20.6 1.0
CD A:PRO97 4.6 20.3 1.0
O A:HOH2120 4.6 36.2 1.0
CA A:ASP96 4.7 19.1 1.0
CB A:ASP96 4.8 20.2 1.0
CG A:PRO97 4.9 22.5 1.0

Calcium binding site 3 out of 6 in 1uww

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Calcium binding site 3 out of 6 in the X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1194

b:36.8
occ:1.00
 O A:HOH2124 1.9 32.6 1.0
OD1 A:ASP92 2.3 20.9 1.0
O A:HOH2127 2.5 27.6 1.0
O A:HOH2084 2.5 36.4 1.0
O A:HOH2123 2.5 46.5 1.0
OE1 A:GLU146 2.6 36.9 1.0
OE2 A:GLU146 2.7 38.0 1.0
CD A:GLU146 3.0 33.6 1.0
CG A:ASP92 3.0 18.7 1.0
OD2 A:ASP92 3.0 22.2 1.0
O A:HOH2126 4.4 27.1 1.0
CB A:ASP92 4.4 17.4 1.0
CG A:GLU146 4.5 27.9 1.0
NE2 A:HIS144 4.5 19.9 1.0
O A:HOH2155 4.6 23.6 1.0
CE1 A:HIS144 4.8 20.9 1.0
CA A:ASP92 4.9 16.4 1.0
N A:ASP92 4.9 15.5 1.0

Calcium binding site 4 out of 6 in 1uww

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Calcium binding site 4 out of 6 in the X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1195

b:25.7
occ:1.00
 OE2 A:GLU61 2.3 31.5 1.0
O A:HOH2056 2.6 38.8 1.0
OE1 A:GLU61 2.8 35.2 1.0
CD A:GLU61 2.9 32.8 1.0
CG A:GLU61 4.4 29.5 1.0
O A:HOH2057 4.6 35.3 1.0

Calcium binding site 5 out of 6 in 1uww

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Calcium binding site 5 out of 6 in the X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1191

b:20.4
occ:1.00
 O B:ASN51 2.3 21.2 1.0
O B:HOH2149 2.3 22.8 1.0
OE2 B:GLU23 2.3 24.5 1.0
O B:VAL21 2.4 20.2 1.0
OG B:SER50 2.4 23.2 1.0
OD1 B:ASP184 2.5 19.2 1.0
OD2 B:ASP184 2.5 21.0 1.0
CG B:ASP184 2.9 21.0 1.0
C B:ASN51 3.5 20.8 1.0
C B:VAL21 3.5 20.1 1.0
CD B:GLU23 3.5 27.8 1.0
CB B:SER50 3.7 24.0 1.0
N B:ASN51 3.7 22.6 1.0
CA B:VAL21 4.1 20.3 1.0
CG B:GLU23 4.1 24.2 1.0
CA B:ASN51 4.1 23.0 1.0
C B:SER50 4.2 23.6 1.0
CB B:VAL21 4.4 21.2 1.0
CB B:ASP184 4.4 19.7 1.0
O B:HOH2052 4.5 34.5 1.0
CA B:SER50 4.5 24.4 1.0
OD1 B:ASN185 4.5 20.9 1.0
O B:HOH2067 4.5 36.7 1.0
CB B:ASN51 4.5 23.6 1.0
OE1 B:GLU23 4.5 28.8 1.0
N B:ALA52 4.6 20.2 1.0
N B:PHE22 4.6 20.2 1.0
CB B:PHE22 4.7 20.1 1.0
C B:PHE22 4.8 22.4 1.0
O B:HOH2147 4.9 26.5 1.0
CA B:ALA52 4.9 19.7 1.0
CA B:PHE22 4.9 21.8 1.0
O B:PHE22 4.9 24.0 1.0
O B:SER50 4.9 25.2 1.0
CD2 B:PHE22 5.0 19.3 1.0

Calcium binding site 6 out of 6 in 1uww

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Calcium binding site 6 out of 6 in the X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of X-Ray Crystal Structure of A Non-Crystalline Cellulose Specific Carbohydrate-Binding Module: CBM28. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1192

b:28.5
occ:1.00
 O B:HOH2082 2.3 36.6 1.0
O B:PRO97 2.3 20.9 1.0
O B:HOH2085 2.3 33.8 1.0
O B:HOH2112 2.4 31.0 1.0
OD1 B:ASP96 2.5 24.7 1.0
C B:PRO97 3.4 20.4 1.0
CG B:ASP96 3.7 22.9 1.0
O B:HOH2084 3.8 31.9 1.0
N B:PRO97 4.1 19.6 1.0
C B:ASP96 4.2 19.3 1.0
OD2 B:ASP96 4.3 29.6 1.0
N B:VAL98 4.3 20.2 1.0
CA B:PRO97 4.4 20.6 1.0
O B:GLY141 4.4 30.5 1.0
CD B:PRO97 4.5 20.3 1.0
O B:HOH2083 4.5 24.5 1.0
CA B:VAL98 4.5 21.2 1.0
O B:ASP96 4.6 19.2 1.0
CG B:PRO97 4.7 23.4 1.0
CA B:ASP96 4.7 19.4 1.0
CB B:ASP96 4.8 19.9 1.0

Reference:

S.Jamal, D.Nurizzo, A.Boraston, G.J.Davies. X-Ray Crystal Structure of A Non-Crystalline Cellulose-Specific Carbohydrate-Binding Module: CBM28 J.Mol.Biol. V. 339 253 2004.
ISSN: ISSN 0022-2836
PubMed: 15136030
DOI: 10.1016/J.JMB.2004.03.069
Page generated: Thu Jul 11 23:41:07 2024

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