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Calcium in PDB 7w45: Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP

Enzymatic activity of Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP

All present enzymatic activity of Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP:
3.1.1.101; 3.1.1.74;

Protein crystallography data

The structure of Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP, PDB code: 7w45 was solved by D.Niu, W.Zeng, J.W.Huang, C.C.Chen, W.D.Liu, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.44 / 1.94
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 40.37, 84.77, 147.512, 90, 90, 90
R / Rfree (%) 15.4 / 20

Other elements in 7w45:

The structure of Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP also contains other interesting chemical elements:

Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP (pdb code 7w45). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP, PDB code: 7w45:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 7w45

Go back to Calcium Binding Sites List in 7w45
Calcium binding site 1 out of 4 in the Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:14.9
occ:1.00
 O A:THR195 2.3 14.3 1.0
OD1 A:ASP193 2.4 16.3 1.0
O A:HOH578 2.4 13.4 1.0
O A:HOH592 2.4 17.2 1.0
O A:HOH482 2.5 24.2 1.0
OD2 A:ASP193 2.5 18.2 1.0
OG1 A:THR195 2.5 10.5 1.0
CG A:ASP193 2.8 16.3 1.0
C A:THR195 3.4 13.9 1.0
CB A:THR195 3.6 11.8 1.0
CA A:THR195 3.9 12.5 1.0
N A:THR195 4.2 13.4 1.0
CB A:ASP193 4.3 16.2 1.0
O A:HOH529 4.4 25.1 1.0
N A:PHE196 4.6 14.5 1.0
O A:HOH600 4.6 40.4 1.0
NH1 A:ARG173 4.8 18.8 1.0
OE2 A:GLU176 4.9 23.0 1.0
CG2 A:THR195 4.9 12.0 1.0
NH2 A:ARG173 5.0 16.0 1.0

Calcium binding site 2 out of 4 in 7w45

Go back to Calcium Binding Sites List in 7w45
Calcium binding site 2 out of 4 in the Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:47.0
occ:1.00
 O A:HOH598 2.3 37.9 1.0
O A:PHE71 2.5 12.6 1.0
O A:HOH553 2.6 21.6 1.0
O A:VAL68 2.6 18.3 1.0
O A:ARG65 2.7 22.8 1.0
O A:HOH550 2.9 27.7 1.0
C A:PHE71 3.6 13.3 1.0
C A:ARG65 3.7 23.5 1.0
C A:VAL68 3.7 19.7 1.0
CA A:GLY72 4.0 12.3 1.0
OD1 A:ASN122 4.0 18.6 1.0
CG2 A:VAL68 4.2 16.5 1.0
N A:GLY72 4.2 12.5 1.0
CA A:ARG65 4.3 22.3 1.0
CG A:ARG65 4.3 27.1 1.0
CA A:SER69 4.5 21.5 1.0
O A:HOH478 4.5 30.0 1.0
N A:SER69 4.5 19.6 1.0
N A:PHE71 4.6 14.4 1.0
C A:GLY72 4.6 12.1 1.0
CA A:VAL68 4.7 17.7 1.0
CA A:PHE71 4.7 13.8 1.0
N A:GLY73 4.8 12.5 1.0
N A:VAL68 4.8 18.1 1.0
N A:LEU66 4.8 26.4 1.0
CB A:ARG65 4.9 24.6 1.0
C A:SER69 4.9 20.2 1.0
N A:GLY70 5.0 18.2 1.0

Calcium binding site 3 out of 4 in 7w45

Go back to Calcium Binding Sites List in 7w45
Calcium binding site 3 out of 4 in the Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:15.5
occ:1.00
 OG1 B:THR195 2.4 15.4 1.0
O B:THR195 2.4 12.6 1.0
OD2 B:ASP193 2.4 15.9 1.0
OD1 B:ASP193 2.4 13.9 1.0
O B:HOH569 2.5 18.8 1.0
O B:HOH439 2.5 14.7 1.0
O B:HOH532 2.5 17.5 1.0
O B:HOH535 2.5 15.5 1.0
CG B:ASP193 2.8 14.2 1.0
C B:THR195 3.5 13.9 1.0
CB B:THR195 3.5 14.5 1.0
CA B:THR195 3.9 14.2 1.0
N B:THR195 4.1 13.7 1.0
NH1 B:ARG173 4.3 15.6 1.0
CB B:ASP193 4.3 14.8 1.0
O B:HOH581 4.5 37.1 1.0
O B:HOH589 4.6 35.2 1.0
OE1 B:GLU176 4.6 15.8 1.0
N B:PHE196 4.6 14.4 1.0
O B:HOH529 4.7 23.3 1.0
CG2 B:THR195 4.8 16.1 1.0
NH2 B:ARG173 5.0 14.7 1.0

Calcium binding site 4 out of 4 in 7w45

Go back to Calcium Binding Sites List in 7w45
Calcium binding site 4 out of 4 in the Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Complex Structure of A Leaf-Branch Compost Cutinase Variant Lcc ICCG_KIP within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca302

b:54.7
occ:1.00
 O B:HOH593 2.4 31.5 1.0
O B:HOH557 2.5 33.7 1.0
O B:PHE71 2.5 16.2 1.0
O B:VAL68 2.5 22.2 1.0
O B:ARG65 2.5 24.4 1.0
O B:HOH574 2.6 39.6 1.0
C B:PHE71 3.7 16.8 1.0
C B:ARG65 3.7 23.1 1.0
C B:VAL68 3.7 22.6 1.0
CA B:GLY72 4.1 15.6 1.0
OD1 B:ASN122 4.2 19.3 1.0
CG2 B:VAL68 4.3 21.5 1.0
CA B:SER69 4.3 27.9 1.0
CG B:ARG65 4.3 21.7 0.5
N B:GLY72 4.3 15.1 1.0
CG B:ARG65 4.4 22.0 0.5
CA B:ARG65 4.4 22.0 0.5
CA B:ARG65 4.4 22.1 0.5
N B:SER69 4.4 23.8 1.0
N B:PHE71 4.6 18.1 1.0
N B:LEU66 4.6 26.2 1.0
CA B:VAL68 4.7 21.6 1.0
N B:VAL68 4.7 21.0 1.0
C B:GLY72 4.7 14.5 1.0
CA B:LEU66 4.8 30.2 1.0
CA B:PHE71 4.8 17.4 1.0
N B:GLY73 4.8 14.6 1.0
C B:SER69 4.8 26.6 1.0
N B:GLY70 4.9 24.4 1.0
CB B:ARG65 5.0 22.1 0.5

Reference:

W.Zeng, X.Li, Y.Yang, J.Min, J.-W.Huang, W.Liu, D.Niu, X.Yang, X.Han, L.Zhang, L.Dai, C.-C.Chen, R.-T.Guo. Substrate-Binding Mode of A Thermophilic Pet Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis V. 12 3033 2022.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.1C05800
Page generated: Fri Jul 19 05:35:55 2024

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