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Calcium in PDB 1oux: Lecb (Pa-Lii) Sugar-Free

Protein crystallography data

The structure of Lecb (Pa-Lii) Sugar-Free, PDB code: 1oux was solved by R.Loris, D.Tielker, K.-E.Jaeger, L.Wyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.190, 72.900, 100.180, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Lecb (Pa-Lii) Sugar-Free (pdb code 1oux). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Lecb (Pa-Lii) Sugar-Free, PDB code: 1oux:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 1oux

Go back to Calcium Binding Sites List in 1oux
Calcium binding site 1 out of 8 in the Lecb (Pa-Lii) Sugar-Free


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lecb (Pa-Lii) Sugar-Free within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:12.5
occ:1.00
OD1 A:ASP99 2.4 16.2 1.0
OD2 A:ASP104 2.4 12.9 1.0
OE2 A:GLU95 2.5 15.3 1.0
OD1 A:ASP104 2.5 9.4 1.0
O A:HOH509 2.5 5.7 1.0
O A:HOH512 2.5 15.4 1.0
OD1 A:ASP101 2.6 11.5 1.0
OE1 A:GLU95 2.6 12.2 1.0
CG A:ASP104 2.8 12.2 1.0
CD A:GLU95 2.9 13.6 1.0
CG A:ASP99 3.3 16.6 1.0
CG A:ASP101 3.4 12.8 1.0
OD2 A:ASP99 3.6 14.7 1.0
OD2 A:ASP101 3.7 13.0 1.0
CA A:CA402 3.7 14.1 1.0
O4 A:SO4503 4.0 33.5 1.0
O A:HOH511 4.1 10.4 1.0
N A:ASP101 4.2 11.9 1.0
OD1 A:ASP96 4.3 10.7 1.0
CB A:ASP104 4.3 10.8 1.0
CG A:GLU95 4.3 12.0 1.0
N A:GLY97 4.4 12.5 1.0
N A:ASP96 4.5 11.5 1.0
N A:ASN100 4.6 12.7 1.0
N A:TYR102 4.6 10.9 1.0
CB A:ASP101 4.7 13.4 1.0
CA A:GLU95 4.7 10.7 1.0
CB A:ASP99 4.7 15.1 1.0
OD1 A:ASN103 4.7 5.3 1.0
N A:ASP104 4.8 12.3 1.0
CG A:ASP96 4.9 12.3 1.0
CA A:ASP101 4.9 11.7 1.0
N A:ASP99 4.9 13.1 1.0
CA A:GLY97 4.9 11.9 1.0
CB A:GLU95 5.0 11.8 1.0
O B:HOH417 5.0 9.6 1.0

Calcium binding site 2 out of 8 in 1oux

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Calcium binding site 2 out of 8 in the Lecb (Pa-Lii) Sugar-Free


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Lecb (Pa-Lii) Sugar-Free within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:14.1
occ:1.00
OD1 A:ASN103 2.3 5.3 1.0
O A:ASN21 2.4 11.0 1.0
O A:HOH509 2.4 5.7 1.0
O B:HOH417 2.5 9.6 1.0
OD1 A:ASP104 2.5 9.4 1.0
OD2 A:ASP101 2.5 13.0 1.0
O B:GLY114 2.6 17.6 1.0
CG A:ASP101 3.2 12.8 1.0
OD1 A:ASP101 3.2 11.5 1.0
C B:GLY114 3.3 20.7 1.0
OXT B:GLY114 3.4 24.2 1.0
CG A:ASN103 3.4 8.3 1.0
C A:ASN21 3.6 11.4 1.0
CG A:ASP104 3.7 12.2 1.0
CA A:CA401 3.7 12.5 1.0
ND2 A:ASN103 3.8 6.5 1.0
N A:ASP104 4.0 12.3 1.0
CA A:ASP104 4.1 11.8 1.0
CB A:ASN21 4.2 11.9 1.0
O4 A:SO4503 4.3 33.5 1.0
C A:ASN103 4.4 11.9 1.0
CA A:SER22 4.5 11.6 1.0
CB A:ASP104 4.5 10.8 1.0
N A:SER22 4.5 10.6 1.0
OD2 A:ASP99 4.5 14.7 1.0
CA A:ASN21 4.6 11.7 1.0
OD2 A:ASP104 4.6 12.9 1.0
CB A:SER22 4.6 10.4 1.0
CB A:ASP101 4.6 13.4 1.0
CA B:GLY114 4.7 20.4 1.0
O B:HOH415 4.7 14.2 1.0
O1 A:SO4503 4.7 31.7 1.0
CB A:ASN103 4.7 8.7 1.0
O A:ASN103 4.9 11.7 1.0
N A:ASN103 4.9 9.5 1.0
O A:HOH512 4.9 15.4 1.0
CA A:ASN103 5.0 10.5 1.0

Calcium binding site 3 out of 8 in 1oux

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Calcium binding site 3 out of 8 in the Lecb (Pa-Lii) Sugar-Free


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Lecb (Pa-Lii) Sugar-Free within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca403

b:8.7
occ:1.00
OE2 B:GLU95 2.3 11.8 1.0
OD1 B:ASP99 2.4 13.4 1.0
OD1 B:ASP101 2.4 8.6 1.0
O B:HOH407 2.5 12.1 1.0
OE1 B:GLU95 2.6 10.7 1.0
OD2 B:ASP104 2.6 7.9 1.0
O B:HOH406 2.6 10.9 1.0
OD1 B:ASP104 2.6 5.7 1.0
CD B:GLU95 2.8 11.4 1.0
CG B:ASP104 2.9 10.0 1.0
CG B:ASP99 3.4 13.0 1.0
CG B:ASP101 3.5 11.0 1.0
OD2 B:ASP99 3.7 13.7 1.0
CA B:CA404 3.8 11.3 1.0
OD2 B:ASP101 3.9 11.0 1.0
CG B:GLU95 4.2 10.7 1.0
N B:ASP101 4.3 9.5 1.0
OD1 B:ASP96 4.4 8.0 1.0
CB B:ASP104 4.4 10.0 1.0
N B:GLY97 4.5 12.0 1.0
N B:TYR102 4.5 7.4 1.0
N B:ASP96 4.5 11.0 1.0
CB B:ASP101 4.7 11.5 1.0
CA B:GLU95 4.7 11.4 1.0
OD1 B:ASN103 4.7 6.8 1.0
CB B:ASP99 4.7 12.6 1.0
N B:ASP99 4.9 12.3 1.0
CB B:GLU95 4.9 10.0 1.0
N B:ASN100 4.9 11.7 1.0
CA B:GLY97 4.9 12.0 1.0
CA B:ASP101 4.9 9.1 1.0
N B:ASP104 4.9 8.0 1.0
CG B:ASP96 5.0 12.6 1.0

Calcium binding site 4 out of 8 in 1oux

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Calcium binding site 4 out of 8 in the Lecb (Pa-Lii) Sugar-Free


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Lecb (Pa-Lii) Sugar-Free within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca404

b:11.3
occ:1.00
OD2 B:ASP101 2.4 11.0 1.0
O B:ASN21 2.4 9.0 1.0
OD1 B:ASN103 2.4 6.8 1.0
O A:HOH504 2.5 12.8 1.0
O A:GLY114 2.6 15.2 1.0
O B:HOH406 2.6 10.9 1.0
OD1 B:ASP104 2.7 5.7 1.0
CG B:ASP101 3.2 11.0 1.0
OD1 B:ASP101 3.3 8.6 1.0
C A:GLY114 3.4 15.3 1.0
CG B:ASN103 3.4 9.0 1.0
OXT A:GLY114 3.5 19.4 1.0
C B:ASN21 3.6 8.6 1.0
ND2 B:ASN103 3.7 8.8 1.0
CA B:CA403 3.8 8.7 1.0
CG B:ASP104 3.9 10.0 1.0
O A:HOH506 4.1 37.8 1.0
N B:ASP104 4.1 8.0 1.0
CB B:ASN21 4.2 9.3 1.0
CA B:ASP104 4.3 8.0 1.0
CA B:SER22 4.3 10.8 1.0
N B:SER22 4.4 8.9 1.0
O A:HOH507 4.5 13.2 1.0
C B:ASN103 4.5 8.5 1.0
CA B:ASN21 4.5 9.4 1.0
CB B:ASP101 4.6 11.5 1.0
CB B:SER22 4.6 9.3 1.0
OD2 B:ASP99 4.6 13.7 1.0
CB B:ASP104 4.7 10.0 1.0
CA A:GLY114 4.7 15.4 1.0
OD2 B:ASP104 4.7 7.9 1.0
CB B:ASN103 4.8 5.0 1.0
O B:HOH408 4.8 25.2 1.0
N B:ASN103 4.9 8.3 1.0
O B:ASN103 5.0 9.3 1.0

Calcium binding site 5 out of 8 in 1oux

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Calcium binding site 5 out of 8 in the Lecb (Pa-Lii) Sugar-Free


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Lecb (Pa-Lii) Sugar-Free within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca405

b:11.9
occ:1.00
OD1 C:ASP101 2.3 9.7 1.0
OE2 C:GLU95 2.4 14.0 1.0
OD1 C:ASP99 2.4 12.6 1.0
O C:HOH408 2.4 14.1 1.0
OE1 C:GLU95 2.5 9.3 1.0
O C:HOH410 2.6 11.2 1.0
OD1 C:ASP104 2.6 15.2 1.0
OD2 C:ASP104 2.7 13.6 1.0
CD C:GLU95 2.8 12.4 1.0
CG C:ASP104 3.0 16.4 1.0
CG C:ASP101 3.3 12.7 1.0
CG C:ASP99 3.4 18.1 1.0
OD2 C:ASP99 3.6 17.9 1.0
OD2 C:ASP101 3.7 16.1 1.0
CA C:CA406 3.9 12.8 1.0
N C:ASP101 4.0 10.8 1.0
O C:HOH407 4.1 24.0 1.0
CG C:GLU95 4.2 6.7 1.0
CB C:ASP101 4.4 11.4 1.0
N C:TYR102 4.4 9.9 1.0
OD1 C:ASP96 4.4 13.3 1.0
N C:GLY97 4.5 15.0 1.0
CB C:ASP104 4.5 13.5 1.0
N C:ASN100 4.6 13.5 1.0
N C:ASP96 4.6 12.2 1.0
CA C:ASP101 4.7 10.1 1.0
CA C:GLU95 4.7 10.9 1.0
CB C:ASP99 4.8 14.3 1.0
OD1 C:ASN103 4.8 6.7 1.0
N C:ASP99 4.9 12.0 1.0
CA C:GLY97 4.9 14.9 1.0
CB C:GLU95 4.9 12.2 1.0
N C:ASP104 4.9 12.2 1.0
C C:ASP99 5.0 13.2 1.0
C C:ASP101 5.0 10.3 1.0

Calcium binding site 6 out of 8 in 1oux

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Calcium binding site 6 out of 8 in the Lecb (Pa-Lii) Sugar-Free


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Lecb (Pa-Lii) Sugar-Free within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca406

b:12.8
occ:1.00
OD2 C:ASP101 2.3 16.1 1.0
OD1 C:ASN103 2.4 6.7 1.0
O C:ASN21 2.4 13.6 1.0
O C:HOH410 2.5 11.2 1.0
O D:GLY114 2.5 16.9 1.0
O D:HOH413 2.6 16.4 1.0
OD1 C:ASP104 2.8 15.2 1.0
CG C:ASP101 3.2 12.7 1.0
C D:GLY114 3.2 20.0 1.0
OXT D:GLY114 3.3 22.7 1.0
CG C:ASN103 3.4 9.9 1.0
OD1 C:ASP101 3.4 9.7 1.0
C C:ASN21 3.6 13.8 1.0
ND2 C:ASN103 3.7 7.3 1.0
CA C:CA405 3.9 11.9 1.0
CG C:ASP104 3.9 16.4 1.0
N C:ASP104 4.1 12.2 1.0
CB C:ASN21 4.1 14.4 1.0
CA C:ASP104 4.2 13.2 1.0
N C:SER22 4.5 14.5 1.0
CA C:SER22 4.5 13.9 1.0
C C:ASN103 4.5 10.0 1.0
CA C:ASN21 4.5 12.6 1.0
CB C:ASP101 4.6 11.4 1.0
CA D:GLY114 4.6 19.1 1.0
OD2 C:ASP99 4.6 17.9 1.0
CB C:ASP104 4.7 13.5 1.0
CB C:ASN103 4.7 9.2 1.0
O C:HOH408 4.7 14.1 1.0
CB C:SER22 4.8 13.3 1.0
OD2 C:ASP104 4.8 13.6 1.0
N C:ASN103 4.9 8.6 1.0
O C:ASN103 5.0 12.9 1.0

Calcium binding site 7 out of 8 in 1oux

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Calcium binding site 7 out of 8 in the Lecb (Pa-Lii) Sugar-Free


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Lecb (Pa-Lii) Sugar-Free within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca407

b:15.3
occ:1.00
OD2 D:ASP99 2.3 21.9 1.0
OE2 D:GLU95 2.4 12.9 1.0
OD2 D:ASP101 2.4 20.6 1.0
O D:HOH414 2.4 9.4 1.0
OE1 D:GLU95 2.4 12.2 1.0
OD2 D:ASP104 2.5 8.9 1.0
OD1 D:ASP104 2.6 11.5 1.0
CD D:GLU95 2.7 12.8 1.0
O D:HOH415 2.8 13.2 1.0
CG D:ASP104 2.9 10.3 1.0
CG D:ASP99 3.1 20.5 1.0
OD1 D:ASP99 3.3 24.1 1.0
CG D:ASP101 3.3 18.6 1.0
OD1 D:ASP101 3.7 17.6 1.0
CA D:CA408 3.8 14.3 1.0
N D:ASP101 4.1 16.9 1.0
CG D:GLU95 4.2 10.8 1.0
OD1 D:ASP96 4.4 19.2 1.0
CB D:ASP104 4.4 12.8 1.0
N D:GLY97 4.4 15.9 1.0
N D:ASP96 4.4 11.4 1.0
O D:HOH444 4.5 23.1 1.0
N D:ASN100 4.5 18.5 1.0
N D:TYR102 4.5 15.2 1.0
CB D:ASP101 4.5 17.7 1.0
CB D:ASP99 4.6 21.4 1.0
CA D:GLU95 4.6 11.1 1.0
N D:ASP99 4.7 18.6 1.0
O C:HOH487 4.7 38.0 1.0
CA D:ASP101 4.8 16.6 1.0
OD1 D:ASN103 4.8 8.3 1.0
CB D:GLU95 4.8 10.3 1.0
CA D:GLY97 4.9 14.6 1.0
N D:ASP104 4.9 12.4 1.0
CG D:ASP96 4.9 18.1 1.0
C D:ASP99 5.0 20.6 1.0
CA D:ASP99 5.0 19.8 1.0

Calcium binding site 8 out of 8 in 1oux

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Calcium binding site 8 out of 8 in the Lecb (Pa-Lii) Sugar-Free


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Lecb (Pa-Lii) Sugar-Free within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca408

b:14.3
occ:1.00
OD1 D:ASP101 2.3 17.6 1.0
O D:ASN21 2.4 12.1 1.0
O C:HOH487 2.4 38.0 1.0
O D:HOH415 2.4 13.2 1.0
OD1 D:ASN103 2.4 8.3 1.0
OD1 D:ASP104 2.5 11.5 1.0
O C:GLY114 2.6 25.1 1.0
CG D:ASP101 3.2 18.6 1.0
C C:GLY114 3.2 23.5 1.0
OXT C:GLY114 3.2 28.1 1.0
OD2 D:ASP101 3.3 20.6 1.0
CG D:ASN103 3.5 10.3 1.0
C D:ASN21 3.6 12.4 1.0
CG D:ASP104 3.7 10.3 1.0
CA D:CA407 3.8 15.3 1.0
ND2 D:ASN103 3.9 11.9 1.0
N D:ASP104 4.0 12.4 1.0
CA D:ASP104 4.1 10.3 1.0
OD1 D:ASP99 4.3 24.1 1.0
CA D:SER22 4.3 13.7 1.0
CB D:ASN21 4.3 10.4 1.0
O D:HOH443 4.4 34.8 1.0
N D:SER22 4.4 12.2 1.0
CB D:ASP104 4.5 12.8 1.0
CB D:SER22 4.5 15.9 1.0
C D:ASN103 4.5 11.7 1.0
OD2 D:ASP104 4.5 8.9 1.0
CB D:ASP101 4.6 17.7 1.0
CA D:ASN21 4.6 10.5 1.0
CA C:GLY114 4.6 21.4 1.0
O D:HOH414 4.8 9.4 1.0
CB D:ASN103 4.8 10.7 1.0
N D:ASN103 4.9 13.4 1.0

Reference:

R.Loris, D.Tielker, K.-E.Jaeger, L.Wyns. Structural Basis of Carbohydrate Recognition By the Lectin Lecb From Pseudomonas Aeruginosa J.Mol.Biol. V. 331 861 2003.
ISSN: ISSN 0022-2836
PubMed: 12909014
DOI: 10.1016/S0022-2836(03)00754-X
Page generated: Thu Jul 11 13:32:23 2024

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