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Calcium in PDB 4yza: C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid

Enzymatic activity of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid

All present enzymatic activity of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid:
4.2.2.2;

Protein crystallography data

The structure of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid, PDB code: 4yza was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.89 / 1.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 138.820, 36.430, 100.520, 90.00, 132.85, 90.00
R / Rfree (%) 10.8 / 15.1

Calcium Binding Sites:

The binding sites of Calcium atom in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid (pdb code 4yza). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid, PDB code: 4yza:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 4yza

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Calcium binding site 1 out of 9 in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca201

b:9.0
occ:1.00
 O A:GLU104 2.3 8.3 1.0
OD1 A:ASP81 2.3 11.1 1.0
O A:HOH365 2.4 11.5 0.8
O A:VAL82 2.4 7.8 1.0
O A:HOH510 2.4 14.5 1.0
O A:HOH376 2.5 14.8 1.0
O A:HOH417 2.5 7.8 1.0
C A:GLU104 3.5 7.8 1.0
CG A:ASP81 3.5 10.0 1.0
C A:VAL82 3.6 7.2 1.0
CB A:GLU104 4.0 10.7 1.0
OD2 A:ASP81 4.0 12.7 1.0
N A:VAL82 4.1 7.3 1.0
O A:HOH406 4.2 10.6 1.0
C A:ASP81 4.2 8.1 1.0
CA A:VAL82 4.3 6.3 1.0
CA A:GLU104 4.4 8.2 1.0
O A:HOH416 4.4 11.3 1.0
O A:HOH588 4.4 29.3 0.7
N A:ALA105 4.4 7.5 1.0
N A:ALA106 4.5 8.2 1.0
O A:HOH480 4.5 19.9 0.9
O A:GLY35 4.5 11.1 1.0
CA A:ALA105 4.5 7.7 1.0
O A:GLY83 4.6 9.0 1.0
N A:GLY83 4.6 7.1 1.0
O A:ASP81 4.6 8.2 1.0
CB A:ASP81 4.7 9.6 1.0
CA A:ASP81 4.7 7.7 1.0
CA A:GLY83 4.8 8.2 1.0
O A:HOH380 4.8 31.1 0.8
CB A:VAL82 4.8 7.3 1.0
C A:ALA105 5.0 7.8 1.0
O A:LYS103 5.0 7.5 0.6
O A:HOH525 5.0 42.4 0.9

Calcium binding site 2 out of 9 in 4yza

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Calcium binding site 2 out of 9 in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca202

b:10.0
occ:1.00
 OE2 A:GLU84 2.4 10.7 1.0
O A:HOH345 2.4 11.4 1.0
O A:HOH401 2.4 14.6 1.0
OD2 A:ASP85 2.5 10.9 1.0
OD1 A:ASP64 2.5 12.3 1.0
OD1 A:ASP85 2.5 10.5 1.0
OD2 A:ASP64 2.6 11.6 1.0
O6A A:ADA215 2.6 9.5 0.6
O6A A:ADA212 2.6 12.2 0.2
O6A A:ADA218 2.6 12.9 0.2
CG A:ASP85 2.9 8.7 1.0
CG A:ASP64 2.9 11.3 1.0
C6 A:ADA215 3.6 9.8 0.6
C6 A:ADA212 3.6 10.8 0.2
C6 A:ADA218 3.6 11.9 0.2
CD A:GLU84 3.7 10.4 1.0
O6B A:ADA215 3.8 13.4 0.6
CA A:CA203 3.9 11.8 1.0
O6B A:ADA218 3.9 13.1 0.2
O6B A:ADA212 3.9 13.4 0.2
OE2 A:GLU39 4.0 15.7 1.0
O A:HOH339 4.1 11.0 1.0
OG1 A:THR88 4.2 10.1 1.0
CB A:ASP85 4.3 9.1 1.0
O A:HOH424 4.4 25.7 1.0
CB A:ASP64 4.4 10.4 1.0
CB A:GLU84 4.4 8.8 1.0
CG A:GLU84 4.4 9.9 1.0
O A:HOH343 4.5 12.2 1.0
OE1 A:GLU84 4.5 10.8 1.0
N A:ASP85 4.6 7.9 1.0
O A:HOH373 4.6 10.5 1.0
O A:HOH422 4.7 20.1 0.8
NE2 A:HIS67 4.9 11.0 1.0
C A:GLU84 4.9 8.1 1.0
C5 A:ADA215 5.0 11.5 0.6
C5 A:ADA212 5.0 11.6 0.2
C5 A:ADA218 5.0 12.2 0.2

Calcium binding site 3 out of 9 in 4yza

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Calcium binding site 3 out of 9 in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca203

b:11.8
occ:0.99
 O6A A:ADA215 2.3 9.5 0.6
O6A A:ADA212 2.3 12.2 0.2
O6A A:ADA218 2.3 12.9 0.2
O6B A:ADA214 2.3 10.7 0.6
O6B A:ADA211 2.4 14.0 0.2
O6B A:ADA217 2.4 14.7 0.2
O5 A:ADA215 2.4 11.2 0.6
OE1 A:GLU84 2.4 10.8 1.0
O5 A:ADA212 2.4 10.8 0.2
O5 A:ADA218 2.4 12.8 0.2
O A:HOH339 2.4 11.0 1.0
OE2 A:GLU39 2.4 15.7 1.0
OE1 A:GLU39 2.5 14.9 1.0
OE2 A:GLU84 2.6 10.7 1.0
CD A:GLU84 2.7 10.4 1.0
CD A:GLU39 2.9 13.6 1.0
C6 A:ADA215 3.1 9.8 0.6
C6 A:ADA212 3.2 10.8 0.2
C6 A:ADA218 3.2 11.9 0.2
C5 A:ADA215 3.3 11.5 0.6
C6 A:ADA214 3.3 13.4 0.6
C5 A:ADA212 3.3 11.6 0.2
C6 A:ADA211 3.3 13.3 0.2
C5 A:ADA218 3.3 12.2 0.2
C6 A:ADA217 3.3 16.1 0.2
C1 A:ADA215 3.4 12.7 0.6
C1 A:ADA212 3.4 12.4 0.2
C1 A:ADA218 3.4 13.2 0.2
CA A:CA204 3.7 13.1 0.7
CA A:CA202 3.9 10.0 1.0
OD2 A:ASP85 3.9 10.9 1.0
O6A A:ADA211 4.0 15.7 0.2
O A:HOH412 4.0 12.8 1.0
O6A A:ADA217 4.0 20.0 0.2
O6A A:ADA214 4.1 15.4 0.6
O A:HOH392 4.1 16.0 0.9
O A:HOH401 4.1 14.6 1.0
CG A:GLU84 4.2 9.9 1.0
C4 A:ADA214 4.2 10.2 0.6
C4 A:ADA211 4.2 12.4 0.2
C4 A:ADA217 4.2 13.8 0.2
O4 A:ADA214 4.2 12.4 0.6
O6B A:ADA215 4.3 13.4 0.6
C5 A:ADA214 4.3 10.2 0.6
O4 A:ADA217 4.3 15.1 0.2
O4 A:ADA211 4.3 14.8 0.2
O6B A:ADA212 4.3 13.4 0.2
C5 A:ADA211 4.3 13.5 0.2
C5 A:ADA217 4.4 14.8 0.2
O6B A:ADA218 4.4 13.1 0.2
CG A:GLU39 4.4 14.5 1.0
O4 A:ADA218 4.4 17.5 0.2
O4 A:ADA212 4.4 16.7 0.2
O4 A:ADA215 4.5 19.1 0.6
C4 A:ADA212 4.5 12.1 0.2
C4 A:ADA215 4.5 14.4 0.6
C4 A:ADA218 4.5 14.0 0.2
C2 A:ADA215 4.5 15.2 0.6
C2 A:ADA218 4.5 13.1 0.2
C2 A:ADA212 4.6 11.8 0.2
O A:HOH559 4.6 14.3 0.8
CG A:ASP85 4.8 8.7 1.0

Calcium binding site 4 out of 9 in 4yza

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Calcium binding site 4 out of 9 in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca204

b:13.1
occ:0.65
 OE1 A:GLN37 2.2 13.5 1.0
OE1 A:GLU84 2.4 10.8 1.0
O6B A:ADA214 2.4 10.7 0.6
OD2 A:ASP107 2.4 17.3 1.0
O6B A:ADA211 2.5 14.0 0.2
O6B A:ADA217 2.5 14.7 0.2
O A:HOH392 2.5 16.0 0.9
O A:HOH426 2.7 24.6 1.0
O A:HOH412 2.8 12.8 1.0
C6 A:ADA214 2.9 13.4 0.6
O6A A:ADA214 2.9 15.4 0.6
C6 A:ADA211 3.0 13.3 0.2
C6 A:ADA217 3.0 16.1 0.2
O6A A:ADA217 3.0 20.0 0.2
O6A A:ADA211 3.0 15.7 0.2
CD A:GLN37 3.4 11.1 1.0
CG A:ASP107 3.5 14.4 1.0
CD A:GLU84 3.6 10.4 1.0
CB A:ASP107 3.6 11.2 1.0
CA A:CA203 3.7 11.8 1.0
O2 A:X1X210 3.9 15.6 0.2
OE1 A:GLU39 4.0 14.9 1.0
O A:HOH339 4.1 11.0 1.0
NE2 A:GLN37 4.2 11.2 1.0
C5 A:ADA214 4.3 10.2 0.6
C5 A:ADA211 4.3 13.5 0.2
O A:GLU84 4.3 8.8 1.0
C5 A:ADA217 4.3 14.8 0.2
CG A:GLN37 4.4 10.7 1.0
CG A:GLU84 4.4 9.9 1.0
OE2 A:GLU84 4.5 10.7 1.0
CB A:GLN37 4.5 11.0 1.0
O A:HOH511 4.6 21.9 0.8
OD1 A:ASP107 4.6 16.2 1.0
O A:GLN37 4.7 13.2 1.0
O2 A:ADA213 4.8 20.2 0.6
O2 A:GTR216 4.8 16.4 0.2
C2 A:X1X210 4.8 19.8 0.2
CD A:GLU39 4.9 13.6 1.0
C2 A:ADA213 4.9 16.8 0.6

Calcium binding site 5 out of 9 in 4yza

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Calcium binding site 5 out of 9 in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca205

b:16.2
occ:0.39
 O3 A:GTR216 2.2 21.4 0.2
O3 A:X1X210 2.3 21.3 0.2
O3 A:ADA213 2.3 22.3 0.6
O A:HOH526 2.3 24.4 0.6
O A:HOH521 2.4 35.1 1.0
O6A A:ADA217 2.4 20.0 0.2
O6A A:ADA211 2.4 15.7 0.2
O6A A:ADA214 2.4 15.4 0.6
O5 A:ADA217 2.4 15.1 0.2
O A:HOH526 2.4 15.9 0.4
O5 A:ADA211 2.4 15.0 0.2
O5 A:ADA214 2.4 12.0 0.6
O A:HOH439 2.4 24.4 1.0
C6 A:ADA211 3.2 13.3 0.2
C6 A:ADA217 3.2 16.1 0.2
C6 A:ADA214 3.2 13.4 0.6
C5 A:ADA217 3.4 14.8 0.2
C5 A:ADA211 3.4 13.5 0.2
C5 A:ADA214 3.4 10.2 0.6
C1 A:ADA217 3.4 15.0 0.2
C1 A:ADA211 3.4 14.8 0.2
C1 A:ADA214 3.4 12.3 0.6
C3 A:GTR216 3.5 15.7 0.2
C3 A:ADA213 3.6 17.4 0.6
C3 A:X1X210 3.6 16.5 0.2
C2 A:ADA213 3.8 16.8 0.6
O2 A:ADA213 3.8 20.2 0.6
C2 A:GTR216 3.9 16.1 0.2
O2 A:GTR216 4.0 16.4 0.2
O A:HOH325 4.0 37.4 0.9
C2 A:X1X210 4.0 19.8 0.2
O2 A:X1X210 4.1 15.6 0.2
O4 A:GTR216 4.1 15.2 0.2
O4 A:ADA213 4.1 12.7 0.6
O4 A:X1X210 4.1 14.1 0.2
C4 A:GTR216 4.3 14.7 0.2
C4 A:ADA213 4.3 14.9 0.6
C4 A:X1X210 4.3 16.1 0.2
O6B A:ADA211 4.4 14.0 0.2
O6B A:ADA217 4.4 14.7 0.2
O6B A:ADA214 4.4 10.7 0.6
O A:HOH539 4.4 37.8 0.8
OE1 A:GLU39 4.5 14.9 1.0
O A:HOH415 4.5 26.6 0.9
C1 A:ADA212 4.5 12.4 0.2
O2 A:ADA215 4.5 18.7 0.6
O A:HOH392 4.5 16.0 0.9
C1 A:ADA218 4.5 13.2 0.2
C4 A:ADA211 4.5 12.4 0.2
C1 A:ADA215 4.6 12.7 0.6
C4 A:ADA217 4.6 13.8 0.2
C4 A:ADA214 4.6 10.2 0.6
O4 A:ADA211 4.6 14.8 0.2
O2 A:ADA212 4.6 20.2 0.2
O A:HOH579 4.6 35.9 0.7
O4 A:ADA217 4.6 15.1 0.2
O4 A:ADA214 4.6 12.4 0.6
O2 A:ADA218 4.6 14.2 0.2
C2 A:ADA211 4.7 14.2 0.2
C2 A:ADA214 4.7 12.2 0.6
C2 A:ADA217 4.7 14.4 0.2
O A:HOH426 4.8 24.6 1.0

Calcium binding site 6 out of 9 in 4yza

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Calcium binding site 6 out of 9 in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca202

b:9.4
occ:1.00
 O B:GLU104 2.3 9.1 1.0
OD1 B:ASP81 2.4 11.1 1.0
O B:VAL82 2.4 8.4 1.0
O B:HOH386 2.4 13.2 1.0
O B:HOH514 2.4 14.9 1.0
O B:HOH381 2.5 15.0 1.0
O B:HOH420 2.5 8.4 1.0
CG B:ASP81 3.5 10.7 1.0
C B:GLU104 3.5 8.1 1.0
C B:VAL82 3.6 7.8 1.0
CB B:GLU104 4.0 9.2 1.0
OD2 B:ASP81 4.0 14.6 1.0
N B:VAL82 4.1 8.1 1.0
O B:HOH404 4.2 12.4 1.0
C B:ASP81 4.3 8.8 1.0
CA B:VAL82 4.3 7.2 1.0
CA B:GLU104 4.4 8.4 1.0
O B:HOH397 4.4 10.2 1.0
O B:HOH606 4.4 26.7 0.9
N B:ALA105 4.4 8.0 1.0
O B:HOH572 4.4 33.9 0.6
N B:ALA106 4.5 7.6 1.0
CA B:ALA105 4.5 7.8 1.0
O B:HOH511 4.5 19.2 0.8
O B:GLY35 4.5 10.5 1.0
N B:GLY83 4.6 7.7 1.0
O B:GLY83 4.6 8.7 1.0
O B:ASP81 4.7 9.2 1.0
CB B:ASP81 4.7 10.0 1.0
O B:HOH498 4.7 25.9 0.8
CB B:VAL82 4.7 7.4 1.0
CA B:GLY83 4.8 8.4 1.0
CA B:ASP81 4.8 8.8 1.0
C B:ALA105 5.0 7.2 1.0
O B:LYS103 5.0 8.5 1.0

Calcium binding site 7 out of 9 in 4yza

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Calcium binding site 7 out of 9 in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca203

b:10.0
occ:1.00
 O B:HOH344 2.4 11.5 1.0
OE2 B:GLU84 2.4 9.0 1.0
O B:HOH429 2.4 13.6 1.0
OD2 B:ASP85 2.5 10.5 1.0
OD1 B:ASP64 2.5 12.4 1.0
OD2 B:ASP64 2.5 10.9 1.0
OD1 B:ASP85 2.6 11.4 1.0
O6B B:ADA212 2.6 10.8 0.3
O6B B:ADA209 2.6 9.1 0.7
CG B:ASP64 2.8 9.9 1.0
CG B:ASP85 2.9 9.8 1.0
C6 B:ADA209 3.6 11.2 0.7
C6 B:ADA212 3.6 10.3 0.3
CD B:GLU84 3.6 7.9 1.0
O6A B:ADA209 3.8 11.6 0.7
O6A B:ADA212 3.9 13.3 0.3
CA B:CA204 3.9 10.2 1.0
OE1 B:GLU39 4.1 12.2 1.0
O B:HOH347 4.1 11.0 1.0
OG1 B:THR88 4.2 10.6 1.0
CB B:ASP85 4.3 8.7 1.0
O B:HOH387 4.4 17.1 0.9
CB B:ASP64 4.4 9.6 1.0
CG B:GLU84 4.4 9.2 1.0
CB B:GLU84 4.4 9.1 1.0
O B:HOH335 4.4 11.8 1.0
O B:HOH343 4.6 22.1 0.6
OE1 B:GLU84 4.6 10.9 1.0
N B:ASP85 4.6 8.6 1.0
O B:HOH382 4.6 10.8 1.0
NE2 B:HIS67 4.9 13.3 1.0
O B:HOH412 4.9 24.7 0.9
C B:GLU84 5.0 8.3 1.0
C5 B:ADA209 5.0 11.2 0.7
C5 B:ADA212 5.0 10.8 0.3
CA B:ASP64 5.0 10.2 1.0

Calcium binding site 8 out of 9 in 4yza

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Calcium binding site 8 out of 9 in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca204

b:10.2
occ:1.00
 O6A B:ADA211 2.3 10.8 0.3
O6A B:ADA208 2.3 10.1 0.7
O6B B:ADA209 2.3 9.1 0.7
O5 B:ADA209 2.4 9.7 0.7
OE1 B:GLU84 2.4 10.9 1.0
O6B B:ADA212 2.4 10.8 0.3
O5 B:ADA212 2.4 10.2 0.3
O B:HOH347 2.4 11.0 1.0
OE1 B:GLU39 2.5 12.2 1.0
OE2 B:GLU84 2.5 9.0 1.0
OE2 B:GLU39 2.6 11.8 1.0
CD B:GLU84 2.8 7.9 1.0
CD B:GLU39 2.9 10.0 1.0
C6 B:ADA209 3.2 11.2 0.7
C6 B:ADA212 3.2 10.3 0.3
C6 B:ADA211 3.3 11.1 0.3
C5 B:ADA209 3.4 11.2 0.7
C6 B:ADA208 3.4 11.5 0.7
C5 B:ADA212 3.4 10.8 0.3
C1 B:ADA209 3.4 10.5 0.7
C1 B:ADA212 3.4 10.7 0.3
CA B:CA205 3.7 11.3 0.9
CA B:CA203 3.9 10.0 1.0
OD2 B:ASP85 3.9 10.5 1.0
O B:HOH434 4.0 11.3 1.0
O6B B:ADA211 4.1 12.1 0.3
O6B B:ADA208 4.1 12.8 0.7
O B:HOH426 4.1 12.2 0.9
O B:HOH429 4.1 13.6 1.0
C4 B:ADA208 4.2 10.6 0.7
C4 B:ADA211 4.2 11.4 0.3
CG B:GLU84 4.2 9.2 1.0
O4 B:ADA208 4.2 9.5 0.7
O4 B:ADA211 4.3 11.3 0.3
C5 B:ADA208 4.3 9.1 0.7
C5 B:ADA211 4.3 10.7 0.3
O6A B:ADA209 4.3 11.6 0.7
O4 B:ADA212 4.4 13.7 0.3
O6A B:ADA212 4.4 13.3 0.3
CG B:GLU39 4.4 10.7 1.0
O4 B:ADA209 4.4 16.6 0.7
C4 B:ADA209 4.5 13.6 0.7
C4 B:ADA212 4.5 12.1 0.3
C2 B:ADA209 4.5 11.2 0.7
C2 B:ADA212 4.5 11.9 0.3
O B:HOH557 4.7 16.0 1.0
CG B:ASP85 4.8 9.8 1.0

Calcium binding site 9 out of 9 in 4yza

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Calcium binding site 9 out of 9 in the C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of C. Bescii Family 3 Pectate Lyase Double Mutant K108A/Q111A in Complex with Trigalacturonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca205

b:11.3
occ:0.89
 OE1 B:GLN37 2.2 12.6 1.0
O6A B:ADA208 2.4 10.1 0.7
OD2 B:ASP107 2.4 14.0 1.0
OE1 B:GLU84 2.4 10.9 1.0
O6A B:ADA211 2.4 10.8 0.3
O B:HOH426 2.5 12.2 0.9
O B:HOH395 2.5 16.7 1.0
O B:HOH434 2.7 11.3 1.0
O6B B:ADA208 2.8 12.8 0.7
O6B B:ADA211 2.8 12.1 0.3
C6 B:ADA208 2.9 11.5 0.7
C6 B:ADA211 2.9 11.1 0.3
CG B:ASP107 3.4 12.2 1.0
CD B:GLN37 3.5 9.3 1.0
CB B:ASP107 3.6 11.4 1.0
CD B:GLU84 3.7 7.9 1.0
CA B:CA204 3.7 10.2 1.0
OE2 B:GLU39 4.0 11.8 1.0
O B:HOH347 4.2 11.0 1.0
C5 B:ADA208 4.2 9.1 0.7
C5 B:ADA211 4.3 10.7 0.3
NE2 B:GLN37 4.3 10.1 1.0
O B:GLU84 4.4 8.9 1.0
CG B:GLN37 4.5 10.1 1.0
CG B:GLU84 4.5 9.2 1.0
O2 B:ADA207 4.5 15.6 0.7
OE2 B:GLU84 4.5 9.0 1.0
CB B:GLN37 4.5 10.2 1.0
OD1 B:ASP107 4.5 13.9 1.0
O A:HOH323 4.5 25.8 0.8
O B:HOH519 4.5 15.7 0.9
NZ A:LYS103 4.6 13.4 0.4
O B:GLN37 4.7 11.1 1.0
O2 B:GTR210 4.7 20.6 0.3
NZ A:LYS103 4.7 15.6 0.6
O B:HOH553 4.7 23.6 0.5
C2 B:ADA207 4.8 14.5 0.7
CD B:GLU39 4.9 10.0 1.0
C2 B:GTR210 4.9 15.5 0.3

Reference:

M.Alahuhta, L.E.Taylor, R.Brunecky, D.W.Sammond, W.Michener, M.W.Adams, M.E.Himmel, Y.J.Bomble, V.Lunin. The Catalytic Mechanism and Unique Low pH Optimum of Caldicellulosiruptor Bescii Family 3 Pectate Lyase. Acta Crystallogr.,Sect.D V. 71 1946 2015.
ISSN: ESSN 1399-0047
PubMed: 26327384
DOI: 10.1107/S1399004715013760
Page generated: Sun Jul 14 15:20:56 2024

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