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Calcium in PDB 2qua: Crystal Structure of Lipa From Serratia Marcescens

Enzymatic activity of Crystal Structure of Lipa From Serratia Marcescens

All present enzymatic activity of Crystal Structure of Lipa From Serratia Marcescens:
3.1.1.3;

Protein crystallography data

The structure of Crystal Structure of Lipa From Serratia Marcescens, PDB code: 2qua was solved by R.Meier, U.Baumann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.27 / 1.95
Space group P 3 2 1
Cell size a, b, c (Å), α, β, γ (°) 115.070, 115.070, 104.434, 90.00, 90.00, 120.00
R / Rfree (%) 17.2 / 19.6

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Lipa From Serratia Marcescens (pdb code 2qua). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of Lipa From Serratia Marcescens, PDB code: 2qua:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 2qua

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Calcium binding site 1 out of 8 in the Crystal Structure of Lipa From Serratia Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Lipa From Serratia Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca614

b:32.4
occ:1.00
O A:ALA510 2.3 24.9 1.0
OD1 A:ASP513 2.3 25.0 1.0
OD2 A:ASP495 2.3 28.4 1.0
O A:GLY491 2.3 26.9 1.0
O A:GLY508 2.3 26.5 1.0
O A:GLY493 2.4 27.8 1.0
OD2 A:ASP513 2.9 24.7 1.0
CG A:ASP513 3.0 20.2 1.0
CG A:ASP495 3.3 25.9 1.0
C A:GLY508 3.4 26.8 1.0
C A:GLY491 3.5 28.8 1.0
C A:ALA510 3.5 27.0 1.0
C A:GLY493 3.6 27.4 1.0
N A:GLY491 3.9 29.8 1.0
C A:ASN509 3.9 29.0 1.0
O A:ASN509 4.0 30.4 1.0
N A:GLY493 4.0 30.1 1.0
CB A:ASP495 4.0 26.8 1.0
N A:ALA510 4.1 29.9 1.0
N A:ASP495 4.1 27.9 1.0
C A:ASP492 4.1 31.6 1.0
OD1 A:ASP495 4.2 34.0 1.0
CA A:GLY491 4.3 27.4 1.0
CA A:GLY508 4.3 27.1 1.0
N A:ASN509 4.3 27.8 1.0
CA A:GLY493 4.4 28.3 1.0
CA A:ALA510 4.4 25.6 1.0
N A:ASP492 4.4 28.9 1.0
CB A:ASP513 4.4 19.3 1.0
CA A:ASN509 4.4 27.5 1.0
N A:GLY511 4.4 24.9 1.0
O A:ASP492 4.4 31.3 1.0
CB A:ASN509 4.4 28.1 1.0
CA A:GLY511 4.5 24.9 1.0
N A:ASP494 4.5 27.0 1.0
C A:GLY490 4.6 29.5 1.0
CA A:ASP492 4.6 30.7 1.0
C A:GLY511 4.6 25.1 1.0
O A:HOH738 4.6 33.6 1.0
CA A:CA616 4.7 28.4 1.0
O A:GLY511 4.7 26.3 1.0
CA A:ASP494 4.7 27.2 1.0
CA A:ASP495 4.7 26.6 1.0
CA A:GLY490 4.8 29.7 1.0
C A:ASP494 4.9 26.9 1.0

Calcium binding site 2 out of 8 in 2qua

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Calcium binding site 2 out of 8 in the Crystal Structure of Lipa From Serratia Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Lipa From Serratia Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca615

b:30.5
occ:1.00
O A:PHE549 2.3 28.4 1.0
OD2 A:ASP532 2.3 28.1 1.0
O A:HOH635 2.3 25.6 1.0
O A:GLY528 2.3 32.5 1.0
O A:GLY530 2.4 28.8 1.0
OD1 A:ASP552 2.4 29.1 1.0
CG A:ASP552 3.3 30.8 1.0
CG A:ASP532 3.4 27.2 1.0
C A:PHE549 3.4 24.4 1.0
C A:GLY530 3.5 27.1 1.0
OD2 A:ASP552 3.5 33.8 1.0
C A:GLY528 3.5 29.0 1.0
C A:SER529 3.9 26.4 1.0
O A:SER529 4.0 25.2 1.0
CB A:ASP532 4.1 26.1 1.0
N A:ASP532 4.1 26.2 1.0
N A:GLY528 4.1 27.1 1.0
C A:GLY527 4.1 26.9 1.0
N A:GLY530 4.2 26.6 1.0
CA A:PHE549 4.3 27.5 1.0
CA A:SER529 4.3 28.0 1.0
N A:GLY550 4.3 25.4 1.0
OD1 A:ASP532 4.4 32.0 1.0
N A:SER529 4.4 27.6 1.0
CA A:GLY550 4.4 24.9 1.0
O A:GLY527 4.4 27.6 1.0
N A:ASP531 4.4 26.7 1.0
CB A:PHE549 4.5 24.6 1.0
CA A:GLY530 4.5 25.5 1.0
CA A:GLY527 4.5 24.9 1.0
CA A:ASP531 4.5 28.0 1.0
CA A:GLY528 4.5 27.6 1.0
C A:GLY550 4.6 26.4 1.0
CA A:CA616 4.7 28.4 1.0
C A:ASP531 4.7 25.6 1.0
CA A:ASP532 4.7 27.6 1.0
CB A:ASP552 4.8 26.5 1.0
N A:ARG551 4.8 22.8 1.0
CD2 A:PHE549 4.9 23.6 1.0
O A:HOH664 4.9 27.8 1.0

Calcium binding site 3 out of 8 in 2qua

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Calcium binding site 3 out of 8 in the Crystal Structure of Lipa From Serratia Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Lipa From Serratia Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca616

b:28.4
occ:1.00
OD2 A:ASP513 2.3 24.7 1.0
O A:ASN509 2.3 30.4 1.0
O A:SER529 2.3 25.2 1.0
OD1 A:ASP532 2.3 32.0 1.0
O A:GLY527 2.4 27.6 1.0
O A:GLY511 2.4 26.3 1.0
OD2 A:ASP532 3.0 28.1 1.0
CG A:ASP532 3.0 27.2 1.0
CG A:ASP513 3.4 20.2 1.0
C A:GLY527 3.5 26.9 1.0
C A:ASN509 3.5 29.0 1.0
C A:SER529 3.6 26.4 1.0
C A:GLY511 3.6 25.1 1.0
C A:ALA510 3.8 27.0 1.0
O A:ALA510 3.9 24.9 1.0
C A:GLY528 4.0 29.0 1.0
N A:GLY511 4.1 24.9 1.0
CB A:ASP513 4.1 19.3 1.0
C A:GLY508 4.1 26.8 1.0
O A:GLY528 4.1 32.5 1.0
N A:ASP513 4.2 21.4 1.0
N A:ASN509 4.2 27.8 1.0
N A:SER529 4.2 27.6 1.0
CA A:ALA510 4.3 25.6 1.0
N A:GLY528 4.3 27.1 1.0
CA A:GLY530 4.3 25.5 1.0
CA A:GLY528 4.3 27.6 1.0
OD1 A:ASP513 4.3 25.0 1.0
N A:ALA510 4.3 29.9 1.0
O A:GLY508 4.4 26.5 1.0
N A:GLY530 4.4 26.6 1.0
CA A:GLY511 4.4 24.9 1.0
CA A:GLY508 4.5 27.1 1.0
CA A:GLY527 4.5 24.9 1.0
CB A:ASP532 4.5 26.1 1.0
C A:GLY530 4.5 27.1 1.0
CA A:ASN509 4.5 27.5 1.0
N A:ASN512 4.5 25.5 1.0
CA A:SER529 4.6 28.0 1.0
O A:GLY530 4.6 28.8 1.0
CA A:CA614 4.7 32.4 1.0
CA A:ASN512 4.7 24.6 1.0
CA A:CA615 4.7 30.5 1.0
CA A:ASP513 4.8 21.2 1.0
C A:ASN512 4.9 22.4 1.0

Calcium binding site 4 out of 8 in 2qua

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Calcium binding site 4 out of 8 in the Crystal Structure of Lipa From Serratia Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Lipa From Serratia Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca617

b:21.3
occ:1.00
O A:GLY384 2.3 27.6 1.0
OD2 A:ASP388 2.3 25.9 1.0
OD1 A:ASN406 2.4 28.4 1.0
O A:GLY403 2.4 24.9 1.0
O A:GLY386 2.4 28.3 1.0
OD1 A:ASP401 2.4 30.2 1.0
OD2 A:ASP401 2.4 27.1 1.0
CG A:ASP401 2.8 23.9 1.0
CG A:ASN406 3.3 31.9 1.0
CG A:ASP388 3.3 28.8 1.0
C A:GLY384 3.4 26.7 1.0
C A:GLY403 3.5 25.6 1.0
C A:GLY386 3.6 27.3 1.0
ND2 A:ASN406 3.6 24.7 1.0
CB A:ASP388 3.7 25.4 1.0
N A:GLY403 3.9 28.4 1.0
N A:GLY384 4.0 29.8 1.0
N A:ASP388 4.0 26.2 1.0
N A:GLY386 4.1 27.8 1.0
O A:HOH640 4.1 19.2 1.0
C A:LYS385 4.2 28.8 1.0
CB A:ASP401 4.3 27.1 1.0
CA A:GLY403 4.3 26.6 1.0
CA A:GLY384 4.3 27.2 1.0
C A:GLY383 4.3 29.9 1.0
N A:LYS385 4.3 27.4 1.0
N A:ASN387 4.4 25.2 1.0
CA A:ASN387 4.5 27.8 1.0
OD1 A:ASP388 4.5 27.8 1.0
CA A:GLY386 4.5 28.8 1.0
C A:ASN387 4.5 28.4 1.0
N A:ALA402 4.5 28.0 1.0
CA A:LYS385 4.5 29.6 1.0
N A:GLY404 4.5 25.2 1.0
CA A:ASP388 4.5 27.1 1.0
CB A:ASN406 4.6 28.0 1.0
O A:LYS385 4.6 27.1 1.0
CA A:GLY404 4.7 24.9 1.0
O A:GLY383 4.7 29.4 1.0
CA A:GLY383 4.7 28.1 1.0
C A:GLY404 4.9 25.4 1.0
O A:HOH656 4.9 23.8 1.0
C A:ALA402 5.0 29.5 1.0
C A:ASP401 5.0 30.3 1.0
CA A:ASP401 5.0 26.2 1.0

Calcium binding site 5 out of 8 in 2qua

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Calcium binding site 5 out of 8 in the Crystal Structure of Lipa From Serratia Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Lipa From Serratia Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca618

b:25.1
occ:1.00
O A:LYS412 2.3 27.6 1.0
O A:ARG393 2.4 27.9 1.0
O A:GLY395 2.4 28.5 1.0
OD2 A:ASP397 2.4 26.0 1.0
O A:GLY410 2.4 28.6 1.0
OD1 A:ASN415 2.4 25.6 1.0
CG A:ASN415 3.3 24.9 1.0
CG A:ASP397 3.3 27.3 1.0
C A:LYS412 3.6 28.5 1.0
C A:GLY395 3.6 25.8 1.0
C A:ARG393 3.6 27.8 1.0
C A:GLY410 3.6 26.9 1.0
ND2 A:ASN415 3.6 23.8 1.0
O A:ASP394 3.7 26.1 1.0
C A:ASP394 3.8 28.3 1.0
CB A:ASP397 3.9 26.2 1.0
C A:GLY411 4.0 25.3 1.0
N A:GLY395 4.1 27.9 1.0
N A:LYS412 4.1 24.7 1.0
N A:ASP397 4.2 27.9 1.0
C A:GLY392 4.2 27.0 1.0
O A:GLY411 4.2 25.6 1.0
CA A:ASP394 4.2 28.9 1.0
CA A:GLY411 4.3 25.0 1.0
OD1 A:ASP397 4.3 23.8 1.0
O A:GLY392 4.3 24.8 1.0
N A:ASP394 4.3 28.8 1.0
CA A:CA619 4.4 21.8 1.0
CA A:GLY395 4.4 28.4 1.0
N A:GLY411 4.4 24.5 1.0
CA A:LYS412 4.4 26.9 1.0
N A:ARG393 4.4 26.6 1.0
CA A:GLY392 4.5 27.3 1.0
N A:GLY413 4.5 27.0 1.0
N A:ASP396 4.5 30.4 1.0
CA A:GLY410 4.6 23.8 1.0
CA A:GLY413 4.6 27.1 1.0
CA A:ARG393 4.6 26.3 1.0
CB A:ASN415 4.7 24.9 1.0
CA A:ASP396 4.7 29.4 1.0
CA A:ASP397 4.7 28.2 1.0
C A:ASP396 4.9 28.7 1.0

Calcium binding site 6 out of 8 in 2qua

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Calcium binding site 6 out of 8 in the Crystal Structure of Lipa From Serratia Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Lipa From Serratia Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca619

b:21.8
occ:1.00
O A:ASP394 2.3 26.1 1.0
O A:GLY392 2.3 24.8 1.0
OD2 A:ASP379 2.3 30.2 1.0
OD1 A:ASP397 2.4 23.8 1.0
O A:GLY377 2.4 27.0 1.0
O A:SER375 2.4 25.3 1.0
OD2 A:ASP397 2.6 26.0 1.0
CG A:ASP397 2.8 27.3 1.0
CG A:ASP379 3.4 29.4 1.0
C A:GLY392 3.4 27.0 1.0
C A:ASP394 3.5 28.3 1.0
C A:SER375 3.6 27.2 1.0
C A:GLY377 3.6 27.0 1.0
O A:ARG393 3.8 27.9 1.0
C A:ARG393 3.9 27.8 1.0
N A:SER375 4.0 27.8 1.0
N A:GLY377 4.1 27.8 1.0
CB A:ASP379 4.1 26.4 1.0
N A:ASP379 4.2 24.4 1.0
C A:ASP376 4.2 28.5 1.0
OD1 A:ASP379 4.2 28.7 1.0
CA A:GLY392 4.2 27.3 1.0
N A:ASP394 4.3 28.8 1.0
CB A:ASP397 4.3 26.2 1.0
CA A:GLY395 4.3 28.4 1.0
CA A:ASP376 4.4 27.4 1.0
O A:GLY395 4.4 28.5 1.0
CA A:CA618 4.4 25.1 1.0
N A:GLY395 4.4 27.9 1.0
N A:ARG393 4.4 26.6 1.0
N A:ASP376 4.4 26.6 1.0
CA A:SER375 4.5 27.1 1.0
CA A:GLY377 4.5 27.6 1.0
C A:GLY395 4.5 25.8 1.0
CA A:ARG393 4.5 26.3 1.0
OG A:SER375 4.5 27.9 1.0
CB A:ARG393 4.5 28.6 1.0
CA A:ASP394 4.5 28.9 1.0
N A:ASN378 4.5 26.7 1.0
CA A:ASN378 4.7 26.4 1.0
O A:ASP376 4.7 28.7 1.0
C A:ASN378 4.8 29.4 1.0
CA A:ASP379 4.8 27.4 1.0
C A:GLY374 4.9 26.5 1.0
CA A:GLY374 5.0 27.6 1.0

Calcium binding site 7 out of 8 in 2qua

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Calcium binding site 7 out of 8 in the Crystal Structure of Lipa From Serratia Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Lipa From Serratia Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca620

b:26.4
occ:1.00
OD2 A:ASP276 2.3 28.0 1.0
OD1 A:ASN285 2.3 30.7 1.0
O A:ASN284 2.3 26.9 1.0
OE1 A:GLU254 2.3 28.4 1.0
O A:HOH669 2.4 23.9 1.0
O A:HOH671 2.4 23.7 1.0
OD1 A:ASP276 2.4 25.2 1.0
CG A:ASP276 2.7 30.7 1.0
C A:ASN284 3.4 27.4 1.0
CG A:ASN285 3.4 27.3 1.0
CD A:GLU254 3.6 28.3 1.0
CA A:ASN285 3.9 27.6 1.0
CB A:GLU254 4.1 25.8 1.0
N A:ASN285 4.1 24.7 1.0
CB A:ASN285 4.1 24.1 1.0
O A:HOH789 4.2 29.6 1.0
O A:ASP276 4.3 28.6 1.0
CB A:ASP276 4.3 29.8 1.0
CB A:ASN284 4.4 23.5 1.0
OE2 A:GLU254 4.4 27.4 1.0
CG A:GLU254 4.4 27.1 1.0
ND2 A:ASN285 4.4 22.3 1.0
CA A:ASN284 4.5 25.8 1.0
CB A:ALA363 4.5 28.9 1.0
O A:HOH678 4.5 20.8 1.0
NH1 A:ARG260 4.5 23.9 1.0
CD2 A:HIS366 4.6 26.3 1.0
N A:GLU364 4.6 26.4 1.0
NE2 A:HIS366 4.6 27.7 1.0
O A:GLU364 4.9 26.3 1.0
NH2 A:ARG260 4.9 21.5 1.0
CB A:GLU364 4.9 24.8 1.0

Calcium binding site 8 out of 8 in 2qua

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Calcium binding site 8 out of 8 in the Crystal Structure of Lipa From Serratia Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of Lipa From Serratia Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca621

b:25.4
occ:1.00
OD1 A:ASP153 2.3 28.2 1.0
OD2 A:ASP157 2.3 27.4 1.0
OE1 A:GLN120 2.3 25.8 1.0
O A:HOH662 2.3 25.0 1.0
O A:THR118 2.3 31.2 1.0
O A:SER144 2.4 27.4 1.0
OD1 A:ASP157 2.5 25.6 1.0
CG A:ASP157 2.7 29.6 1.0
CG A:ASP153 3.4 29.8 1.0
CD A:GLN120 3.4 25.7 1.0
C A:SER144 3.4 30.2 1.0
C A:THR118 3.5 28.8 1.0
OD2 A:ASP153 3.8 28.1 1.0
NE2 A:GLN120 3.8 22.8 1.0
CA A:GLY145 4.1 26.5 1.0
N A:SER144 4.2 31.1 1.0
N A:GLY145 4.2 28.0 1.0
CB A:THR118 4.2 29.4 1.0
CB A:ASP157 4.3 27.4 1.0
O A:GLY142 4.3 27.3 1.0
O A:ASP153 4.4 26.6 1.0
CA A:SER144 4.4 31.1 1.0
OG1 A:THR118 4.4 29.9 1.0
CA A:THR118 4.4 28.9 1.0
N A:ALA119 4.5 26.8 1.0
CA A:ALA119 4.5 27.9 1.0
CB A:ASP153 4.6 28.6 1.0
O A:HOH753 4.6 27.5 1.0
N A:GLN120 4.7 25.3 1.0
CD A:ARG141 4.7 30.9 1.0
CG A:GLN120 4.7 25.4 1.0
C A:ALA119 4.7 25.4 1.0
C A:ASP153 4.7 27.8 1.0
O A:HOH675 4.8 23.0 1.0
CB A:GLN120 5.0 25.2 1.0

Reference:

R.Meier, T.Drepper, V.Svensson, K.E.Jaeger, U.Baumann. A Calcium-Gated Lid and A Large Beta-Roll Sandwich Are Revealed By the Crystal Structure of Extracellular Lipase From Serratia Marcescens. J.Biol.Chem. V. 282 31477 2007.
ISSN: ISSN 0021-9258
PubMed: 17728256
DOI: 10.1074/JBC.M704942200
Page generated: Fri Jul 12 15:31:28 2024

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