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Calcium in PDB 7uwu: Starch Adherence System Protein 6 (SAS6)

Protein crystallography data

The structure of Starch Adherence System Protein 6 (SAS6), PDB code: 7uwu was solved by A.L.Photenhauer, N.M.Koropatkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.77 / 2.19
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.17, 82.37, 213.32, 90, 90, 90
R / Rfree (%) 18.6 / 25.5

Calcium Binding Sites:

The binding sites of Calcium atom in the Starch Adherence System Protein 6 (SAS6) (pdb code 7uwu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Starch Adherence System Protein 6 (SAS6), PDB code: 7uwu:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 7uwu

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Calcium binding site 1 out of 8 in the Starch Adherence System Protein 6 (SAS6)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Starch Adherence System Protein 6 (SAS6) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca706

b:18.9
occ:1.00
OE2 A:GLU496 2.4 15.6 1.0
OD2 A:ASP264 2.4 15.1 1.0
O A:ASP261 2.4 19.4 1.0
O A:SER257 2.5 18.7 1.0
OD1 A:ASP259 2.5 18.3 1.0
OD1 A:ASP264 2.7 19.2 1.0
O A:HOH960 2.8 23.9 1.0
CG A:ASP264 2.8 17.5 1.0
OE1 A:GLU496 2.9 18.7 1.0
CD A:GLU496 2.9 23.2 1.0
CG A:ASP259 3.3 23.2 1.0
C A:ASP261 3.5 21.1 1.0
OD2 A:ASP259 3.5 19.9 1.0
C A:SER257 3.6 20.3 1.0
N A:ASP261 4.1 20.5 1.0
N A:ASP259 4.2 24.5 1.0
CA A:ASP261 4.2 23.6 1.0
CA A:SER257 4.3 19.4 1.0
CB A:ASP264 4.3 13.7 1.0
N A:SER257 4.4 17.6 1.0
CB A:SER257 4.4 25.1 1.0
CG A:GLU496 4.4 22.1 1.0
OD2 A:ASP261 4.4 23.4 1.0
NE1 A:TRP265 4.4 18.9 1.0
CB A:ASP261 4.4 23.4 1.0
N A:LEU262 4.5 18.4 1.0
CG2 A:ILE256 4.6 14.6 1.0
CB A:ASP259 4.6 19.7 1.0
N A:VAL258 4.7 19.1 1.0
CD1 A:TRP265 4.7 14.9 1.0
CA A:LEU262 4.7 22.0 1.0
CA A:ASP259 4.8 23.4 1.0
CA A:VAL258 4.9 20.7 1.0
C A:ASP259 4.9 29.2 1.0
N A:ASP264 4.9 16.4 1.0
O A:ASP259 4.9 32.2 1.0
CG A:ASP261 5.0 23.6 1.0

Calcium binding site 2 out of 8 in 7uwu

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Calcium binding site 2 out of 8 in the Starch Adherence System Protein 6 (SAS6)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Starch Adherence System Protein 6 (SAS6) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca707

b:16.1
occ:1.00
OD1 A:ASP294 2.3 14.9 1.0
OD2 A:ASP530 2.3 15.4 1.0
OD1 A:ASP278 2.4 16.5 1.0
O A:VAL275 2.4 15.1 1.0
O A:ALA295 2.5 11.5 1.0
O A:HOH948 2.7 14.5 1.0
N A:ALA295 3.3 18.7 1.0
CG A:ASP278 3.3 16.9 1.0
CG A:ASP530 3.4 16.0 1.0
C A:ALA295 3.5 12.3 1.0
CG A:ASP294 3.5 13.9 1.0
OD2 A:ASP278 3.6 15.0 1.0
C A:VAL275 3.6 16.8 1.0
OD1 A:ASP530 3.7 19.0 1.0
C A:ASP294 3.8 16.3 1.0
CA A:ALA295 3.9 16.6 1.0
CA A:ASP294 4.0 16.1 1.0
N A:VAL275 4.3 13.5 1.0
OD2 A:ASP294 4.3 15.0 1.0
CB A:ASP294 4.4 15.5 1.0
CA A:ALA276 4.4 17.5 1.0
N A:ALA276 4.5 17.9 1.0
CB A:ALA295 4.5 13.5 1.0
O A:ASP294 4.6 14.6 1.0
N A:TYR296 4.6 14.4 1.0
CA A:VAL275 4.6 12.1 1.0
N A:ASP278 4.6 16.9 1.0
CB A:ASP278 4.7 16.1 1.0
C A:ALA276 4.7 17.4 1.0
CB A:ASP530 4.7 12.5 1.0
N A:ASN277 4.8 17.0 1.0
CG2 A:VAL275 4.9 13.2 1.0
CA A:TYR296 4.9 15.3 1.0
C A:ASP278 4.9 15.6 1.0
N A:ASP279 5.0 15.5 1.0

Calcium binding site 3 out of 8 in 7uwu

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Calcium binding site 3 out of 8 in the Starch Adherence System Protein 6 (SAS6)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Starch Adherence System Protein 6 (SAS6) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca708

b:18.1
occ:1.00
OE1 A:GLU555 2.2 16.8 1.0
OD2 A:ASP560 2.4 19.5 1.0
OD1 A:ASP558 2.4 22.6 1.0
O A:GLY528 2.5 14.6 1.0
OG A:SER527 2.5 18.4 1.0
O A:GLU555 2.5 17.4 1.0
OD1 A:ASP560 2.7 18.9 1.0
CG A:ASP560 2.9 18.9 1.0
C A:GLU555 3.4 19.7 1.0
CD A:GLU555 3.4 21.5 1.0
C A:GLY528 3.5 21.9 1.0
CG A:ASP558 3.5 23.8 1.0
CB A:SER527 3.6 17.6 1.0
CA A:GLU555 3.6 19.9 1.0
CB A:GLU555 3.7 21.3 1.0
N A:GLY528 3.8 17.3 1.0
CA A:CA709 3.8 21.9 1.0
OD2 A:ASP558 3.9 23.8 1.0
CA A:GLY528 4.1 17.8 1.0
CG A:GLU555 4.2 21.6 1.0
C A:SER527 4.2 21.1 1.0
CA A:SER527 4.4 21.1 1.0
OE2 A:GLU555 4.4 20.3 1.0
O A:ASP558 4.4 17.5 1.0
CB A:ASP560 4.5 21.8 1.0
N A:MET529 4.6 17.1 1.0
O A:SER537 4.6 13.1 1.0
N A:LYS556 4.7 20.5 1.0
C A:ASP558 4.7 20.4 1.0
N A:ASP558 4.8 19.7 1.0
CB A:ASP558 4.8 24.2 1.0
O A:SER527 4.8 20.4 1.0
CA A:MET529 4.9 16.6 1.0
O A:MET538 5.0 14.9 1.0

Calcium binding site 4 out of 8 in 7uwu

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Calcium binding site 4 out of 8 in the Starch Adherence System Protein 6 (SAS6)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Starch Adherence System Protein 6 (SAS6) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca709

b:21.9
occ:1.00
OD2 A:ASP558 2.3 23.8 1.0
OD1 A:ASP540 2.3 22.1 1.0
O A:SER537 2.4 13.1 1.0
OD1 A:ASP560 2.4 18.9 1.0
O A:HOH893 2.4 21.6 1.0
OE2 A:GLU555 2.5 20.3 1.0
OE1 A:GLU555 2.5 16.8 1.0
CD A:GLU555 2.8 21.5 1.0
CG A:ASP558 3.2 23.8 1.0
CG A:ASP540 3.4 22.4 1.0
OD1 A:ASP558 3.5 22.6 1.0
C A:SER537 3.6 15.4 1.0
CG A:ASP560 3.6 18.9 1.0
CA A:CA708 3.8 18.1 1.0
OD2 A:ASP540 3.8 29.7 1.0
CG A:GLN541 4.3 28.6 1.0
CG A:GLU555 4.3 21.6 1.0
OD2 A:ASP560 4.4 19.5 1.0
O A:ILE559 4.4 23.9 1.0
CA A:SER537 4.4 15.7 1.0
N A:GLN541 4.4 22.0 1.0
N A:ASP540 4.5 19.4 1.0
CA A:ASP560 4.5 18.2 1.0
CB A:ASP560 4.5 21.8 1.0
OE1 A:GLN541 4.5 33.8 1.0
C A:MET538 4.6 16.7 1.0
CB A:ASP558 4.6 24.2 1.0
N A:MET538 4.6 12.1 1.0
CA A:MET538 4.6 18.0 1.0
CB A:SER537 4.7 17.9 1.0
CB A:GLN541 4.7 21.2 1.0
CB A:ASP540 4.7 16.7 1.0
C A:ILE559 4.8 25.8 1.0
N A:LEU539 4.8 19.5 1.0
N A:ASP560 4.8 24.7 1.0
O A:MET538 4.9 14.9 1.0
CD A:GLN541 4.9 33.8 1.0
CA A:ASP540 5.0 19.7 1.0
OG A:SER537 5.0 18.4 1.0

Calcium binding site 5 out of 8 in 7uwu

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Calcium binding site 5 out of 8 in the Starch Adherence System Protein 6 (SAS6)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Starch Adherence System Protein 6 (SAS6) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca703

b:17.1
occ:1.00
OD1 B:ASP264 2.3 13.2 1.0
O B:ALA265 2.4 12.7 1.0
OD1 B:ASP248 2.4 11.2 1.0
O B:VAL245 2.4 11.2 1.0
OD2 B:ASP500 2.5 9.6 1.0
O B:HOH853 2.6 14.2 1.0
CG B:ASP248 3.4 15.8 1.0
C B:ALA265 3.4 12.6 1.0
CG B:ASP500 3.5 11.8 1.0
N B:ALA265 3.6 11.7 1.0
CG B:ASP264 3.6 15.2 1.0
OD2 B:ASP248 3.6 14.8 1.0
C B:VAL245 3.6 12.8 1.0
OD1 B:ASP500 3.7 14.7 1.0
C B:ASP264 3.8 12.4 1.0
CA B:ALA265 4.0 10.2 1.0
CA B:ASP264 4.0 15.1 1.0
N B:VAL245 4.4 16.5 1.0
CB B:ASP264 4.4 12.1 1.0
O B:ASP264 4.4 11.5 1.0
OD2 B:ASP264 4.4 12.6 1.0
CA B:ALA246 4.5 15.9 1.0
N B:ALA246 4.5 14.1 1.0
N B:TYR266 4.5 16.1 1.0
CB B:ALA265 4.6 11.4 1.0
N B:ASP248 4.6 13.8 1.0
CA B:VAL245 4.7 13.4 1.0
CB B:ASP248 4.7 13.0 1.0
CB B:ASP500 4.8 11.2 1.0
CA B:TYR266 4.8 10.4 1.0
N B:ASN247 4.8 13.8 1.0
C B:ALA246 4.9 14.3 1.0
C B:ASP248 5.0 14.9 1.0

Calcium binding site 6 out of 8 in 7uwu

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Calcium binding site 6 out of 8 in the Starch Adherence System Protein 6 (SAS6)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Starch Adherence System Protein 6 (SAS6) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca704

b:18.6
occ:1.00
O B:SER507 2.3 14.7 1.0
OE2 B:GLU525 2.4 17.8 1.0
OD1 B:ASP530 2.4 20.1 1.0
OD1 B:ASP510 2.4 21.8 1.0
OD2 B:ASP528 2.5 21.0 1.0
O B:HOH919 2.6 14.8 1.0
OE1 B:GLU525 2.6 14.6 1.0
CD B:GLU525 2.9 19.2 1.0
CG B:ASP528 3.3 17.4 1.0
CG B:ASP510 3.4 22.2 1.0
C B:SER507 3.5 14.8 1.0
CG B:ASP530 3.5 17.2 1.0
OD1 B:ASP528 3.6 16.4 1.0
OD2 B:ASP510 3.7 19.6 1.0
CA B:CA705 3.8 18.7 1.0
CA B:SER507 4.2 16.7 1.0
NE2 B:GLN511 4.3 29.1 1.0
CA B:ASP530 4.3 14.1 1.0
CB B:ASP530 4.4 12.5 1.0
O B:ILE529 4.4 17.2 1.0
CG B:GLU525 4.4 12.2 1.0
OD2 B:ASP530 4.4 14.0 1.0
CB B:SER507 4.4 13.3 1.0
C B:MET508 4.5 17.1 1.0
N B:MET508 4.5 14.4 1.0
N B:GLN511 4.5 18.6 1.0
N B:ASP510 4.6 17.8 1.0
CA B:MET508 4.6 14.2 1.0
CB B:ASP528 4.7 17.1 1.0
N B:ASP530 4.7 17.3 1.0
O B:MET508 4.7 16.6 1.0
CG B:GLN511 4.7 23.1 1.0
C B:ILE529 4.8 18.1 1.0
OG B:SER507 4.8 13.8 1.0
CB B:GLN511 4.8 21.9 1.0
CB B:ASP510 4.8 17.8 1.0
N B:LEU509 4.8 14.6 1.0

Calcium binding site 7 out of 8 in 7uwu

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Calcium binding site 7 out of 8 in the Starch Adherence System Protein 6 (SAS6)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Starch Adherence System Protein 6 (SAS6) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca705

b:18.7
occ:1.00
OE1 B:GLU525 2.2 14.6 1.0
OD2 B:ASP530 2.4 14.0 1.0
OG B:SER497 2.4 14.6 1.0
O B:GLY498 2.5 17.7 1.0
OD1 B:ASP530 2.5 20.1 1.0
O B:GLU525 2.6 14.8 1.0
OD1 B:ASP528 2.6 16.4 1.0
CG B:ASP530 2.8 17.2 1.0
CB B:SER497 3.4 18.2 1.0
CD B:GLU525 3.4 19.2 1.0
C B:GLY498 3.5 12.4 1.0
N B:GLY498 3.5 11.8 1.0
C B:GLU525 3.5 14.7 1.0
CG B:ASP528 3.6 17.4 1.0
CA B:CA704 3.8 18.6 1.0
CA B:GLU525 3.8 12.5 1.0
CB B:GLU525 3.9 13.6 1.0
CA B:GLY498 3.9 14.2 1.0
C B:SER497 4.0 15.2 1.0
OD2 B:ASP528 4.1 21.0 1.0
CG B:GLU525 4.3 12.2 1.0
CA B:SER497 4.3 18.7 1.0
OE2 B:GLU525 4.3 17.8 1.0
CB B:ASP530 4.4 12.5 1.0
O B:ASP528 4.5 21.3 1.0
O B:SER507 4.6 14.7 1.0
N B:MET499 4.6 12.2 1.0
N B:ASP528 4.7 20.5 1.0
O B:SER497 4.7 17.8 1.0
N B:LYS526 4.8 13.8 1.0
C B:ASP528 4.9 19.5 1.0
O B:MET508 4.9 16.6 1.0
CB B:ASP528 4.9 17.1 1.0

Calcium binding site 8 out of 8 in 7uwu

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Calcium binding site 8 out of 8 in the Starch Adherence System Protein 6 (SAS6)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Starch Adherence System Protein 6 (SAS6) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca706

b:20.2
occ:1.00
O B:SER227 2.2 19.8 1.0
O B:ASP231 2.3 20.6 1.0
OD1 B:ASP229 2.4 22.9 1.0
OD2 B:ASP234 2.5 21.7 1.0
OE2 B:GLU466 2.5 22.4 1.0
OD1 B:ASP234 2.5 20.0 1.0
O B:HOH971 2.7 18.5 1.0
CG B:ASP234 2.9 19.3 1.0
OE1 B:GLU466 2.9 21.1 1.0
CD B:GLU466 3.0 19.4 1.0
CG B:ASP229 3.2 23.1 1.0
C B:SER227 3.4 21.1 1.0
C B:ASP231 3.4 21.6 1.0
OD2 B:ASP229 3.6 24.1 1.0
N B:ASP229 4.1 19.5 1.0
N B:ASP231 4.1 24.8 1.0
CA B:SER227 4.2 22.0 1.0
CA B:ASP231 4.2 26.1 1.0
N B:SER227 4.2 22.5 1.0
CB B:SER227 4.3 24.5 1.0
CB B:ASP231 4.3 25.4 1.0
CB B:ASP234 4.4 16.0 1.0
CG2 B:ILE226 4.4 19.4 1.0
N B:VAL228 4.4 23.0 1.0
N B:LEU232 4.5 18.9 1.0
CG B:GLU466 4.5 19.0 1.0
CB B:ASP229 4.5 16.4 1.0
N B:GLY230 4.6 26.2 1.0
NE1 B:TRP235 4.7 17.9 1.0
CA B:VAL228 4.7 23.7 1.0
CD1 B:TRP235 4.7 18.1 1.0
CA B:ASP229 4.7 23.5 1.0
CA B:LEU232 4.8 22.8 1.0
C B:VAL228 4.8 20.7 1.0
N B:ASP234 4.9 20.4 1.0
C B:ASP229 4.9 24.0 1.0

Reference:

A.L.Photenhauer, N.M.Koropatkin. The Ruminococcus Amylosome Protein SAS6 Binds Single and Double Helical A-Glucans Structures in Starch. To Be Published.
Page generated: Fri Jul 19 05:08:39 2024

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