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Calcium in PDB 1mcx: Structure of Full-Length Annexin A1 in the Presence of Calcium

Protein crystallography data

The structure of Structure of Full-Length Annexin A1 in the Presence of Calcium, PDB code: 1mcx was solved by H.Luecke, A.Rosengarth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.00 / 2.03
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 129.483, 129.483, 66.676, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 23.1

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Full-Length Annexin A1 in the Presence of Calcium (pdb code 1mcx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Structure of Full-Length Annexin A1 in the Presence of Calcium, PDB code: 1mcx:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 1mcx

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Calcium binding site 1 out of 8 in the Structure of Full-Length Annexin A1 in the Presence of Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Full-Length Annexin A1 in the Presence of Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca347

b:31.8
occ:1.00
 O A:GLY59 2.3 29.3 1.0
O A:HOH356 2.3 37.0 1.0
O A:VAL60 2.3 29.1 1.0
O A:HOH657 2.4 40.6 1.0
OE1 A:GLU62 2.4 27.1 1.0
OE2 A:GLU62 2.5 28.8 1.0
O A:HOH355 2.6 31.8 1.0
O A:HOH656 2.6 34.1 1.0
CD A:GLU62 2.8 28.6 1.0
C A:GLY59 3.3 29.5 1.0
C A:VAL60 3.5 28.1 1.0
N A:VAL60 4.1 29.5 1.0
CA A:VAL60 4.1 28.2 1.0
CB A:VAL60 4.2 29.5 1.0
CG A:GLU62 4.3 27.9 1.0
CA A:GLY59 4.3 30.4 1.0
O A:HOH540 4.6 37.7 1.0
N A:ASP61 4.6 28.7 1.0
N A:GLU62 4.6 29.5 1.0
O A:HOH495 4.6 36.1 1.0
CG1 A:VAL60 4.9 26.5 1.0
CA A:ASP61 4.9 29.2 1.0
O A:HOH377 5.0 22.1 1.0

Calcium binding site 2 out of 8 in 1mcx

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Calcium binding site 2 out of 8 in the Structure of Full-Length Annexin A1 in the Presence of Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Full-Length Annexin A1 in the Presence of Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca348

b:25.7
occ:1.00
 O A:LYS97 2.3 28.5 1.0
O A:HOH658 2.4 41.9 1.0
O A:HOH358 2.4 26.2 1.0
OE2 A:GLU105 2.4 23.0 1.0
O A:HOH357 2.5 29.4 1.0
O A:LEU100 2.5 23.5 1.0
CD A:GLU105 3.4 25.3 1.0
C A:LYS97 3.5 29.3 1.0
C A:LEU100 3.7 23.4 1.0
OE1 A:GLU105 3.8 27.9 1.0
CA A:THR101 4.1 22.8 1.0
N A:THR101 4.3 22.8 1.0
CA A:LYS97 4.4 29.1 1.0
O A:LYS98 4.4 29.9 1.0
CG2 A:THR101 4.4 23.4 1.0
N A:LYS98 4.5 29.0 1.0
O A:HOH372 4.5 35.1 1.0
CA A:LYS98 4.5 30.6 1.0
C A:LYS98 4.6 30.0 1.0
CG A:GLU105 4.7 23.9 1.0
CB A:THR101 4.8 22.7 1.0
N A:LEU100 4.8 24.2 1.0
CA A:LEU100 4.8 24.0 1.0
O A:LEU96 5.0 27.6 1.0
CB A:GLU105 5.0 23.4 1.0

Calcium binding site 3 out of 8 in 1mcx

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Calcium binding site 3 out of 8 in the Structure of Full-Length Annexin A1 in the Presence of Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Full-Length Annexin A1 in the Presence of Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca349

b:24.3
occ:1.00
 O A:MET127 2.3 25.7 1.0
O A:GLY129 2.3 25.5 1.0
O A:HOH359 2.3 23.8 1.0
O A:GLY131 2.3 20.9 1.0
O A:HOH404 2.4 22.7 1.0
OD1 A:ASP171 2.4 23.5 1.0
OD2 A:ASP171 2.6 25.5 1.0
CG A:ASP171 2.8 26.7 1.0
C A:MET127 3.4 24.4 1.0
C A:GLY131 3.5 23.6 1.0
C A:GLY129 3.5 26.2 1.0
N A:GLY131 3.9 24.8 1.0
CA A:MET127 4.1 24.3 1.0
C A:LEU130 4.1 26.3 1.0
N A:GLY129 4.2 25.1 1.0
OG1 A:THR132 4.2 25.3 1.0
CA A:GLY131 4.3 22.9 1.0
C A:LYS128 4.3 26.0 1.0
CB A:ASP171 4.3 27.0 1.0
CA A:GLY129 4.5 25.6 1.0
N A:LEU130 4.5 26.0 1.0
N A:LYS128 4.5 25.4 1.0
CA A:LEU130 4.5 26.8 1.0
N A:THR132 4.5 22.9 1.0
O A:LEU130 4.6 24.5 1.0
O A:LYS128 4.6 26.2 1.0
CB A:MET127 4.7 23.7 1.0
CA A:LYS128 4.8 27.3 1.0
CA A:THR132 4.8 23.4 1.0
O A:HOH489 4.8 46.0 1.0
O A:HOH681 4.9 44.6 1.0
O A:HOH736 5.0 46.1 1.0
CA A:ASP171 5.0 28.4 1.0

Calcium binding site 4 out of 8 in 1mcx

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Calcium binding site 4 out of 8 in the Structure of Full-Length Annexin A1 in the Presence of Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Full-Length Annexin A1 in the Presence of Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca350

b:24.4
occ:1.00
 O A:HOH360 2.3 18.3 1.0
O A:THR132 2.4 24.7 1.0
O A:HOH385 2.4 30.1 1.0
O A:HOH560 2.5 32.0 1.0
OE2 A:GLU134 2.5 20.8 1.0
O A:HOH362 2.5 22.0 1.0
O A:HOH361 2.6 33.3 1.0
OE1 A:GLU134 2.6 21.5 1.0
CD A:GLU134 2.9 22.3 1.0
C A:THR132 3.6 22.8 1.0
N A:THR132 4.1 22.9 1.0
CA A:THR132 4.3 23.4 1.0
O A:HOH631 4.3 54.0 1.0
O A:HOH554 4.4 31.5 1.0
CG A:GLU134 4.4 20.1 1.0
O A:HOH442 4.5 26.0 1.0
O A:HOH496 4.5 24.9 1.0
N A:ASP133 4.6 23.8 1.0
O A:HOH674 4.6 51.1 1.0
N A:GLU134 4.6 23.8 1.0
O A:HOH462 4.7 25.2 1.0
CA A:ASP133 4.7 23.3 1.0
CB A:THR132 4.8 24.3 1.0
O A:HOH410 4.8 38.9 1.0

Calcium binding site 5 out of 8 in 1mcx

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Calcium binding site 5 out of 8 in the Structure of Full-Length Annexin A1 in the Presence of Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of Full-Length Annexin A1 in the Presence of Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca351

b:23.5
occ:1.00
 O A:HOH363 2.4 21.4 1.0
O A:GLY215 2.4 23.1 1.0
O A:ARG213 2.4 23.1 1.0
O A:HOH644 2.4 25.2 1.0
O A:GLY210 2.4 21.5 1.0
OE1 A:GLU255 2.6 22.4 1.0
OE2 A:GLU255 2.7 22.9 1.0
CD A:GLU255 3.0 23.7 1.0
C A:GLY210 3.4 23.4 1.0
C A:GLY215 3.5 25.6 1.0
C A:ARG213 3.6 26.2 1.0
N A:GLY215 3.7 27.1 1.0
C A:LYS214 4.1 27.6 1.0
CA A:GLY215 4.1 25.9 1.0
CA A:GLY210 4.2 22.9 1.0
OG1 A:THR216 4.2 24.7 1.0
N A:GLU211 4.2 22.6 1.0
O A:GLU211 4.3 24.3 1.0
CA A:GLU211 4.4 24.0 1.0
CA A:LYS214 4.4 28.5 1.0
N A:LYS214 4.4 28.0 1.0
N A:ARG213 4.4 25.5 1.0
C A:GLU211 4.5 25.1 1.0
CG A:ARG213 4.5 27.3 1.0
CA A:ARG213 4.5 25.8 1.0
CG A:GLU255 4.5 22.3 1.0
N A:THR216 4.6 25.6 1.0
O A:HOH567 4.6 41.8 1.0
O A:HOH708 4.6 42.4 1.0
O A:LYS214 4.7 27.0 1.0
O A:HOH440 4.7 31.2 1.0
O A:HOH447 4.7 33.6 1.0
CA A:THR216 4.9 26.2 1.0
O A:HOH528 4.9 45.1 1.0

Calcium binding site 6 out of 8 in 1mcx

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Calcium binding site 6 out of 8 in the Structure of Full-Length Annexin A1 in the Presence of Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Structure of Full-Length Annexin A1 in the Presence of Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca352

b:28.0
occ:1.00
 O A:GLY288 2.3 26.5 1.0
O A:MET286 2.4 27.6 1.0
O A:HOH364 2.5 25.1 1.0
O A:GLY290 2.5 24.8 1.0
OE2 A:GLU330 2.5 31.3 1.0
O A:HOH365 2.5 25.8 1.0
OE1 A:GLU330 2.6 28.7 1.0
CD A:GLU330 2.9 30.7 1.0
C A:MET286 3.5 26.8 1.0
C A:GLY288 3.5 28.2 1.0
C A:GLY290 3.6 26.7 1.0
N A:GLY290 4.0 28.2 1.0
N A:GLY288 4.2 27.7 1.0
C A:LYS287 4.2 28.1 1.0
C A:ILE289 4.2 28.6 1.0
CA A:MET286 4.3 25.8 1.0
OG1 A:THR291 4.3 26.1 1.0
O A:LYS287 4.3 28.2 1.0
CA A:GLY290 4.4 27.7 1.0
CG A:GLU330 4.4 30.2 1.0
CA A:GLY288 4.4 27.5 1.0
O A:HOH510 4.5 51.6 1.0
N A:ILE289 4.5 28.0 1.0
N A:LYS287 4.5 28.5 1.0
N A:THR291 4.6 25.8 1.0
O A:HOH436 4.6 37.9 1.0
CA A:ILE289 4.6 29.8 1.0
O A:ILE289 4.6 29.8 1.0
CA A:LYS287 4.7 29.1 1.0
CA A:THR291 4.8 24.2 1.0
CB A:MET286 4.9 25.1 1.0
O A:HOH517 4.9 40.0 1.0

Calcium binding site 7 out of 8 in 1mcx

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Calcium binding site 7 out of 8 in the Structure of Full-Length Annexin A1 in the Presence of Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Structure of Full-Length Annexin A1 in the Presence of Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca353

b:31.2
occ:1.00
 OE1 A:GLU336 2.2 32.7 1.0
O A:THR331 2.3 30.6 1.0
O A:LEU328 2.3 31.6 1.0
O A:HOH367 2.3 34.1 1.0
O A:HOH531 2.3 31.7 1.0
O A:HOH492 2.4 32.9 1.0
O A:HOH366 2.9 36.0 1.0
C A:LEU328 3.4 31.6 1.0
CD A:GLU336 3.5 32.2 1.0
C A:THR331 3.5 30.9 1.0
O A:HOH547 4.0 46.5 1.0
CA A:LYS332 4.1 32.8 1.0
OE2 A:GLU336 4.1 33.2 1.0
CA A:LEU328 4.2 30.6 1.0
CB A:LYS332 4.2 33.9 1.0
N A:LYS332 4.2 32.2 1.0
O A:HOH513 4.2 39.6 1.0
O A:HOH609 4.4 42.0 1.0
N A:ASP329 4.5 31.3 1.0
N A:THR331 4.5 29.3 1.0
O A:HOH600 4.5 41.2 1.0
CG A:GLU336 4.6 30.5 1.0
CA A:THR331 4.6 30.0 1.0
CB A:LEU328 4.7 31.4 1.0
CA A:ASP329 4.8 32.2 1.0
C A:ASP329 4.9 32.4 1.0
O A:HOH614 4.9 45.0 1.0

Calcium binding site 8 out of 8 in 1mcx

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Calcium binding site 8 out of 8 in the Structure of Full-Length Annexin A1 in the Presence of Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Structure of Full-Length Annexin A1 in the Presence of Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca354

b:37.5
occ:1.00
 O A:ASP253 2.5 24.7 1.0
O A:HOH368 2.6 22.9 1.0
O A:LEU256 2.6 26.9 1.0
O A:HOH660 2.8 47.0 1.0
O A:HOH588 2.9 42.0 1.0
OE2 A:GLU261 3.0 30.8 1.0
OD1 A:ASP253 3.1 31.4 1.0
OE1 A:GLU261 3.2 34.1 1.0
CD A:GLU261 3.4 29.9 1.0
C A:ASP253 3.4 26.3 1.0
C A:LEU256 3.7 26.4 1.0
CA A:ASP253 3.8 25.6 1.0
CG A:ASP253 4.0 32.0 1.0
CA A:LYS257 4.3 27.5 1.0
O A:LEU252 4.4 24.9 1.0
N A:LYS257 4.4 26.5 1.0
CB A:ASP253 4.5 28.4 1.0
CB A:LYS257 4.5 30.3 1.0
N A:LEU254 4.6 24.9 1.0
CG A:GLU261 4.7 28.2 1.0
N A:LEU256 4.8 25.2 1.0
CA A:LEU256 4.8 25.0 1.0
OD2 A:ASP253 4.9 33.6 1.0
N A:ASP253 5.0 24.1 1.0

Reference:

H.Luecke, A.Rosengarth. A Calcium-Driven Conformational Switch of the N-Terminaland Core Domains of Annexin A1 J.Mol.Biol. V. 326 1317 2003.
ISSN: ISSN 0022-2836
PubMed: 12595246
DOI: 10.1016/S0022-2836(03)00027-5
Page generated: Sat Dec 12 03:06:52 2020

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