Calcium in PDB 7c29: Esterase CRME10 Mutant-D178A

Protein crystallography data

The structure of Esterase CRME10 Mutant-D178A, PDB code: 7c29 was solved by Z.Li, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.65 / 2.18
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.012, 70.041, 80.572, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 23.7

Calcium Binding Sites:

The binding sites of Calcium atom in the Esterase CRME10 Mutant-D178A (pdb code 7c29). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Esterase CRME10 Mutant-D178A, PDB code: 7c29:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 7c29

Go back to Calcium Binding Sites List in 7c29
Calcium binding site 1 out of 4 in the Esterase CRME10 Mutant-D178A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Esterase CRME10 Mutant-D178A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:43.4
occ:1.00
O A:HOH413 2.4 26.9 1.0
O A:HOH568 2.6 36.8 1.0
O A:HOH481 2.7 31.2 1.0
OD1 A:ASP88 2.7 20.9 1.0
OD2 A:ASP88 2.8 19.6 1.0
CG A:ASP88 3.1 25.1 1.0
O A:HOH542 3.5 25.3 1.0
O A:ALA20 4.2 31.3 1.0
O A:HOH448 4.2 23.3 1.0
OD2 A:ASP22 4.3 31.4 1.0
O A:HOH581 4.4 38.0 1.0
O A:HOH415 4.5 24.1 1.0
CB A:ASP88 4.6 19.8 1.0
O A:HOH584 4.7 25.4 1.0
O A:GLU86 4.9 18.5 1.0

Calcium binding site 2 out of 4 in 7c29

Go back to Calcium Binding Sites List in 7c29
Calcium binding site 2 out of 4 in the Esterase CRME10 Mutant-D178A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Esterase CRME10 Mutant-D178A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:21.0
occ:1.00
OD2 A:ASP37 2.4 16.4 1.0
O A:HOH456 2.5 18.4 1.0
O A:HOH445 2.5 22.3 1.0
CG A:ASP37 3.5 18.1 1.0
OD1 A:ASP37 3.8 16.5 1.0
O A:HOH458 3.9 21.3 1.0
O A:HOH554 4.2 28.6 1.0
OE2 A:GLU40 4.6 19.2 1.0
CB A:ASP37 4.8 16.4 1.0
O A:HOH477 4.8 16.9 1.0

Calcium binding site 3 out of 4 in 7c29

Go back to Calcium Binding Sites List in 7c29
Calcium binding site 3 out of 4 in the Esterase CRME10 Mutant-D178A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Esterase CRME10 Mutant-D178A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:21.0
occ:1.00
O A:ARG122 2.4 18.6 1.0
OE1 A:GLU86 2.4 13.8 1.0
O A:HOH555 2.5 24.7 1.0
OE2 A:GLU86 2.5 13.5 1.0
CD A:GLU86 2.8 17.9 1.0
C A:ARG122 3.5 18.6 1.0
CA A:ARG122 4.1 18.9 1.0
CB A:ARG122 4.2 22.7 1.0
O A:HOH434 4.2 32.3 1.0
CG A:GLU86 4.3 17.2 1.0
O A:HOH419 4.5 21.1 1.0
N A:ASP123 4.6 21.0 1.0
O A:HOH520 4.6 29.0 1.0
CB A:ASP123 4.6 26.9 1.0
CB A:GLU86 4.9 19.9 1.0
CA A:ASP123 4.9 21.5 1.0
C A:ASP123 4.9 18.5 1.0

Calcium binding site 4 out of 4 in 7c29

Go back to Calcium Binding Sites List in 7c29
Calcium binding site 4 out of 4 in the Esterase CRME10 Mutant-D178A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Esterase CRME10 Mutant-D178A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca302

b:27.0
occ:1.00
O B:HOH498 2.3 32.5 1.0
OE2 B:GLU86 2.3 19.6 1.0
O B:HOH451 2.5 22.2 1.0
O B:ASP123 2.9 28.6 1.0
O B:HOH543 3.5 34.5 1.0
CD B:GLU86 3.5 20.8 1.0
C B:ASP123 3.9 25.0 1.0
O B:HOH408 3.9 26.6 1.0
CG B:GLU86 4.1 23.3 1.0
O B:ARG122 4.2 22.6 1.0
CB B:ASP123 4.4 22.1 1.0
O B:HOH491 4.5 20.1 1.0
OE1 B:GLU86 4.5 21.5 1.0
N B:ILE124 4.6 21.8 1.0
CA B:ILE124 4.6 19.1 1.0
CG1 B:ILE124 4.7 21.4 1.0
O B:PRO87 4.7 18.2 1.0
CA B:ASP123 4.8 25.9 1.0
O B:HOH488 4.8 26.4 1.0
CD B:PRO125 5.0 19.0 1.0

Reference:

Z.Li, J.Li. C-Terminal Swapped Dimers Revealed A New Catalytic Mechanism of Sgnh-Hydrolase Family Esterase To Be Published.
Page generated: Sat Dec 12 08:03:46 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy