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Calcium in PDB 2ml3: Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase

Calcium Binding Sites:

The binding sites of Calcium atom in the Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase (pdb code 2ml3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase, PDB code: 2ml3:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 2ml3

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Calcium binding site 1 out of 6 in the Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca201

b:25.0
occ:1.00
OD2 A:ASP17 2.4 50.0 1.0
O A:LEU15 2.4 25.0 1.0
OD1 A:ASP35 2.4 50.0 1.0
O A:GLY30 2.4 25.0 1.0
O A:GLY32 2.6 25.0 1.0
O A:SER13 2.6 25.0 1.0
O A:GLY12 2.7 25.0 1.0
H A:LEU15 3.1 25.0 1.0
CG A:ASP35 3.2 25.0 1.0
OD2 A:ASP35 3.3 50.0 1.0
HA A:SER13 3.4 25.0 1.0
CG A:ASP17 3.4 25.0 1.0
C A:SER13 3.4 25.0 1.0
C A:LEU15 3.5 25.0 1.0
C A:GLY30 3.7 25.0 1.0
N A:LEU15 3.7 25.0 1.0
C A:GLY12 3.8 25.0 1.0
C A:GLY32 3.8 25.0 1.0
CA A:SER13 3.8 25.0 1.0
OD1 A:ASP17 4.0 50.0 1.0
HB2 A:ASP17 4.1 25.0 1.0
HA3 A:GLY31 4.1 25.0 1.0
N A:GLY32 4.2 25.0 1.0
HD13 A:LEU15 4.2 25.0 1.0
CA A:LEU15 4.2 25.0 1.0
H A:GLY32 4.2 25.0 1.0
HA A:ASP16 4.2 25.0 1.0
H A:ASP17 4.2 25.0 1.0
N A:SER13 4.3 25.0 1.0
C A:GLY31 4.3 25.0 1.0
CB A:ASP17 4.3 25.0 1.0
HA3 A:GLY33 4.3 25.0 1.0
HA2 A:GLY30 4.3 25.0 1.0
N A:ASP14 4.3 25.0 1.0
N A:ASP16 4.5 25.0 1.0
N A:ASP17 4.5 25.0 1.0
CA A:GLY31 4.5 25.0 1.0
CB A:ASP35 4.5 25.0 1.0
C A:ASP14 4.6 25.0 1.0
N A:GLY31 4.6 25.0 1.0
CA A:GLY30 4.6 25.0 1.0
CA A:GLY32 4.6 25.0 1.0
HB3 A:ASP35 4.6 25.0 1.0
O A:GLY31 4.7 25.0 1.0
CA A:ASP16 4.7 25.0 1.0
C A:ASP16 4.7 25.0 1.0
HA3 A:GLY12 4.8 25.0 1.0
N A:GLY33 4.8 25.0 1.0
HA A:LEU15 4.8 25.0 1.0
CA A:ASP14 4.8 25.0 1.0
HA A:ASP14 4.9 25.0 1.0
HA3 A:GLY30 4.9 25.0 1.0
CA A:GLY33 4.9 25.0 1.0
CA A:GLY12 4.9 25.0 1.0
O A:GLY33 5.0 25.0 1.0

Calcium binding site 2 out of 6 in 2ml3

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Calcium binding site 2 out of 6 in the Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca202

b:25.0
occ:1.00
OE1 A:GLU26 2.4 50.0 1.0
O A:GLY24 2.5 25.0 1.0
O A:GLY39 2.5 25.0 1.0
O A:ALA41 2.5 25.0 1.0
OD1 A:ASP44 2.5 50.0 1.0
O A:THR22 2.6 25.0 1.0
OD2 A:ASP44 2.9 50.0 1.0
CG A:ASP44 3.1 25.0 1.0
CD A:GLU26 3.5 25.0 1.0
H A:GLY24 3.5 25.0 1.0
HG3 A:GLU26 3.6 25.0 1.0
C A:GLY24 3.6 25.0 1.0
C A:GLY39 3.6 25.0 1.0
C A:ALA41 3.7 25.0 1.0
C A:THR22 3.7 25.0 1.0
HB2 A:GLU26 3.7 25.0 1.0
HA3 A:GLY42 3.8 25.0 1.0
N A:GLY24 3.9 25.0 1.0
CG A:GLU26 4.0 25.0 1.0
HA2 A:GLY39 4.0 25.0 1.0
HA A:LEU23 4.1 25.0 1.0
HB2 A:TYR40 4.2 25.0 1.0
HA A:SER25 4.2 25.0 1.0
O A:TYR40 4.2 25.0 1.0
OG1 A:THR22 4.2 25.0 1.0
C A:TYR40 4.2 25.0 1.0
H A:THR22 4.3 25.0 1.0
N A:THR22 4.4 25.0 1.0
CA A:GLY39 4.4 25.0 1.0
CB A:GLU26 4.4 25.0 1.0
H A:GLU26 4.4 25.0 1.0
CA A:GLY24 4.4 25.0 1.0
N A:ALA41 4.4 25.0 1.0
HA3 A:GLY21 4.5 25.0 1.0
C A:LEU23 4.5 25.0 1.0
OE2 A:GLU26 4.5 50.0 1.0
CB A:ASP44 4.5 25.0 1.0
N A:GLY42 4.5 25.0 1.0
CA A:GLY42 4.5 25.0 1.0
HA3 A:GLY39 4.6 25.0 1.0
CA A:THR22 4.6 25.0 1.0
N A:GLU26 4.6 25.0 1.0
N A:SER25 4.6 25.0 1.0
N A:LEU23 4.6 25.0 1.0
N A:TYR40 4.6 25.0 1.0
CA A:LEU23 4.6 25.0 1.0
O A:GLY42 4.7 25.0 1.0
CA A:ALA41 4.7 25.0 1.0
CA A:SER25 4.7 25.0 1.0
C A:SER25 4.8 25.0 1.0
HB3 A:ASP44 4.8 25.0 1.0
CA A:TYR40 4.8 25.0 1.0
C A:GLY21 4.8 25.0 1.0
CA A:CA204 4.8 25.0 1.0
C A:GLY42 4.8 25.0 1.0
H A:ALA41 4.9 25.0 1.0
HG1 A:THR22 4.9 25.0 1.0
CB A:TYR40 5.0 25.0 1.0
HA2 A:GLY24 5.0 25.0 1.0

Calcium binding site 3 out of 6 in 2ml3

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Calcium binding site 3 out of 6 in the Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca203

b:25.0
occ:1.00
OD1 A:ASP53 2.4 50.0 1.0
OD2 A:ASP35 2.4 50.0 1.0
O A:GLY31 2.4 25.0 1.0
O A:GLY33 2.5 25.0 1.0
O A:ALA50 2.5 25.0 1.0
O A:GLY48 2.6 25.0 1.0
OD2 A:ASP53 3.0 50.0 1.0
CG A:ASP53 3.1 25.0 1.0
CG A:ASP35 3.5 25.0 1.0
H A:ASP35 3.5 25.0 1.0
C A:GLY31 3.5 25.0 1.0
C A:ALA50 3.6 25.0 1.0
C A:GLY33 3.7 25.0 1.0
C A:GLY48 3.7 25.0 1.0
O A:GLY32 3.7 25.0 1.0
HA3 A:GLY30 3.7 25.0 1.0
C A:GLY32 3.8 25.0 1.0
O A:GLY49 3.8 25.0 1.0
C A:GLY49 3.8 25.0 1.0
HB2 A:ASP35 3.9 25.0 1.0
HA2 A:GLY32 4.0 25.0 1.0
HA3 A:GLY49 4.0 25.0 1.0
N A:GLY33 4.1 25.0 1.0
C A:GLY30 4.1 25.0 1.0
HA3 A:GLY51 4.1 25.0 1.0
N A:ALA50 4.1 25.0 1.0
HA A:ALA34 4.2 25.0 1.0
N A:GLY31 4.2 25.0 1.0
O A:GLY30 4.2 25.0 1.0
CA A:GLY32 4.2 25.0 1.0
CB A:ASP35 4.3 25.0 1.0
OD1 A:ASP35 4.3 50.0 1.0
N A:ASP35 4.3 25.0 1.0
N A:GLY32 4.3 25.0 1.0
CA A:GLY49 4.3 25.0 1.0
N A:GLY49 4.4 25.0 1.0
CA A:GLY33 4.4 25.0 1.0
CA A:GLY30 4.5 25.0 1.0
CA A:ALA50 4.5 25.0 1.0
H A:GLY31 4.5 25.0 1.0
H A:GLY33 4.5 25.0 1.0
CA A:GLY31 4.5 25.0 1.0
N A:GLY51 4.5 25.0 1.0
H A:ALA50 4.5 25.0 1.0
CB A:ASP53 4.5 25.0 1.0
HA2 A:GLY48 4.5 25.0 1.0
CA A:GLY48 4.6 25.0 1.0
N A:ALA34 4.6 25.0 1.0
CA A:GLY51 4.7 25.0 1.0
O A:GLY51 4.7 25.0 1.0
HA3 A:GLY48 4.7 25.0 1.0
CA A:ALA34 4.8 25.0 1.0
HB3 A:ASP53 4.8 25.0 1.0
C A:GLY51 4.9 25.0 1.0
CA A:CA205 4.9 25.0 1.0
HB1 A:ALA50 4.9 25.0 1.0
HA3 A:GLY33 4.9 25.0 1.0
CA A:ASP35 5.0 25.0 1.0
HA A:ASP53 5.0 25.0 1.0

Calcium binding site 4 out of 6 in 2ml3

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Calcium binding site 4 out of 6 in the Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca204

b:25.0
occ:1.00
OD1 A:ASP62 2.4 50.0 1.0
O A:GLY42 2.4 25.0 1.0
O A:GLU59 2.4 25.0 1.0
O A:GLY57 2.4 25.0 1.0
OD2 A:ASP44 2.4 50.0 1.0
O A:TYR40 2.5 25.0 1.0
CG A:ASP62 3.2 25.0 1.0
OD2 A:ASP62 3.3 50.0 1.0
CG A:ASP44 3.4 25.0 1.0
HB2 A:ASP44 3.4 25.0 1.0
H A:ASP44 3.4 25.0 1.0
C A:GLY57 3.5 25.0 1.0
C A:GLU59 3.6 25.0 1.0
C A:GLY42 3.6 25.0 1.0
C A:TYR40 3.7 25.0 1.0
HA3 A:GLY60 3.8 25.0 1.0
O A:GLY58 3.8 25.0 1.0
C A:GLY58 3.8 25.0 1.0
HA3 A:GLY58 3.8 25.0 1.0
C A:ALA41 3.9 25.0 1.0
CB A:ASP44 4.0 25.0 1.0
HA A:ALA41 4.0 25.0 1.0
N A:GLY42 4.1 25.0 1.0
O A:ALA41 4.1 25.0 1.0
N A:ASP44 4.1 25.0 1.0
N A:GLU59 4.1 25.0 1.0
CA A:GLY58 4.2 25.0 1.0
HA A:ASN43 4.2 25.0 1.0
HA3 A:GLY39 4.3 25.0 1.0
N A:GLY58 4.3 25.0 1.0
CA A:ALA41 4.4 25.0 1.0
OD1 A:ASP44 4.4 50.0 1.0
H A:GLY42 4.4 25.0 1.0
C A:GLY39 4.4 25.0 1.0
O A:GLY39 4.4 25.0 1.0
HA2 A:GLY57 4.4 25.0 1.0
N A:GLY60 4.4 25.0 1.0
CA A:GLY42 4.4 25.0 1.0
CA A:GLY60 4.4 25.0 1.0
O A:GLY60 4.5 25.0 1.0
N A:ALA41 4.5 25.0 1.0
CA A:GLU59 4.5 25.0 1.0
CA A:GLY57 4.5 25.0 1.0
N A:TYR40 4.6 25.0 1.0
H A:GLU59 4.6 25.0 1.0
CB A:ASP62 4.6 25.0 1.0
C A:GLY60 4.6 25.0 1.0
N A:ASN43 4.6 25.0 1.0
HA3 A:GLY57 4.7 25.0 1.0
CA A:TYR40 4.7 25.0 1.0
CA A:ASP44 4.7 25.0 1.0
CA A:ASN43 4.8 25.0 1.0
HB3 A:ASP62 4.8 25.0 1.0
CA A:CA202 4.8 25.0 1.0
HB3 A:ASP44 4.8 25.0 1.0
HA3 A:GLY42 4.9 25.0 1.0
C A:ASN43 4.9 25.0 1.0
HD11 A:LEU46 4.9 25.0 1.0
CA A:GLY39 4.9 25.0 1.0
CA A:CA206 4.9 25.0 1.0
H A:TYR40 4.9 25.0 1.0
HA A:ASP62 5.0 25.0 1.0

Calcium binding site 5 out of 6 in 2ml3

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Calcium binding site 5 out of 6 in the Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca205

b:25.0
occ:1.00
OD1 A:ASP82 2.4 50.0 1.0
OD1 A:ASP71 2.4 25.0 1.0
OD2 A:ASP53 2.4 50.0 1.0
O A:GLY49 2.5 25.0 1.0
O A:GLY51 2.5 25.0 1.0
OD2 A:ASP82 2.5 50.0 1.0
CG A:ASP82 2.8 25.0 1.0
H A:SER72 3.2 25.0 1.0
HA3 A:GLY48 3.3 25.0 1.0
CG A:ASP53 3.6 25.0 1.0
H A:ASP53 3.6 25.0 1.0
CG A:ASP71 3.6 25.0 1.0
HB2 A:ASP53 3.7 25.0 1.0
C A:GLY49 3.7 25.0 1.0
C A:GLY51 3.7 25.0 1.0
N A:GLY49 4.0 25.0 1.0
C A:GLY48 4.0 25.0 1.0
HA A:ARG52 4.0 25.0 1.0
H A:GLY49 4.0 25.0 1.0
HA A:ASP71 4.1 25.0 1.0
CA A:GLY48 4.1 25.0 1.0
CB A:ASP53 4.2 25.0 1.0
N A:SER72 4.2 25.0 1.0
O A:PHE80 4.2 25.0 1.0
N A:ASP53 4.2 25.0 1.0
OD2 A:ASP71 4.2 25.0 1.0
CB A:ASP82 4.3 25.0 1.0
N A:GLY51 4.3 25.0 1.0
C A:ALA50 4.4 25.0 1.0
O A:GLY48 4.4 25.0 1.0
CA A:GLY49 4.5 25.0 1.0
HA A:SER72 4.5 25.0 1.0
OD1 A:ASP53 4.5 50.0 1.0
O A:ALA50 4.6 25.0 1.0
HB2 A:SER72 4.6 25.0 1.0
H A:GLY51 4.6 25.0 1.0
CA A:GLY51 4.6 25.0 1.0
HA A:ALA50 4.6 25.0 1.0
N A:ARG52 4.7 25.0 1.0
CA A:ARG52 4.7 25.0 1.0
N A:ALA50 4.7 25.0 1.0
HA A:ASP82 4.7 25.0 1.0
HB2 A:ASP82 4.8 25.0 1.0
CB A:ASP71 4.8 25.0 1.0
CA A:ASP71 4.8 25.0 1.0
CA A:ALA50 4.8 25.0 1.0
HB3 A:ASP82 4.8 25.0 1.0
HA2 A:GLY48 4.8 25.0 1.0
C A:ARG52 4.9 25.0 1.0
H A:GLY48 4.9 25.0 1.0
CA A:CA203 4.9 25.0 1.0
CA A:ASP53 4.9 25.0 1.0
HB3 A:PHE80 4.9 25.0 1.0
CA A:SER72 4.9 25.0 1.0

Calcium binding site 6 out of 6 in 2ml3

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Calcium binding site 6 out of 6 in the Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Solution Structure of ALGE6R3 Subunit From the Azotobacter Vinelandii Mannuronan C5-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca206

b:25.0
occ:1.00
O A:GLY58 2.5 25.0 1.0
OD1 A:ASP92 2.5 75.0 1.0
OD2 A:ASP62 2.5 50.0 1.0
O A:GLY60 2.6 25.0 1.0
OD2 A:ASP92 2.7 75.0 1.0
CG A:ASP92 3.0 25.0 1.0
CG A:ASP62 3.6 25.0 1.0
HB3 A:ASP88 3.7 25.0 1.0
H A:ASP62 3.7 25.0 1.0
C A:GLY58 3.7 25.0 1.0
HB2 A:ASP88 3.8 25.0 1.0
C A:GLY60 3.8 25.0 1.0
HB2 A:ASP62 3.9 25.0 1.0
HA A:GLU59 4.0 25.0 1.0
H A:ASP88 4.1 25.0 1.0
HA3 A:GLY57 4.1 25.0 1.0
HA A:ALA61 4.2 25.0 1.0
C A:GLU59 4.2 25.0 1.0
N A:GLY60 4.2 25.0 1.0
CB A:ASP88 4.3 25.0 1.0
CB A:ASP62 4.3 25.0 1.0
N A:ASP62 4.4 25.0 1.0
N A:GLY58 4.4 25.0 1.0
HB2 A:GLN91 4.4 25.0 1.0
H A:GLY60 4.4 25.0 1.0
OD1 A:ASP62 4.4 50.0 1.0
C A:GLY57 4.5 25.0 1.0
CA A:GLU59 4.5 25.0 1.0
CB A:ASP92 4.5 25.0 1.0
O A:GLU59 4.5 25.0 1.0
N A:GLU59 4.5 25.0 1.0
H A:GLY58 4.6 25.0 1.0
CA A:GLY58 4.6 25.0 1.0
CA A:GLY60 4.7 25.0 1.0
N A:ALA61 4.8 25.0 1.0
O A:GLY57 4.8 25.0 1.0
CA A:ALA61 4.8 25.0 1.0
CA A:GLY57 4.9 25.0 1.0
N A:ASP88 4.9 25.0 1.0
HE1 A:PHE64 4.9 25.0 1.0
HB3 A:ASP92 4.9 25.0 1.0
O A:ASP86 4.9 25.0 1.0
CA A:CA204 4.9 25.0 1.0
OE1 A:GLN91 4.9 25.0 1.0
HB2 A:ASP92 5.0 25.0 1.0

Reference:

E.Buchinger, R.Wimmer, F.L.Aachmann. Structural and Functional Characterization of the R-Modules in Alginate C-5 Epimerases ALGE4 and ALGE6 From Azotobacter Vinelandii To Be Published.
Page generated: Fri Jul 12 14:18:41 2024

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