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Calcium in PDB 8ban: Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25

Protein crystallography data

The structure of Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25, PDB code: 8ban was solved by R.Schnell, E.Szodorai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 87.42 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.659, 121.068, 126.374, 90, 90, 90
R / Rfree (%) 19.4 / 24.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25 (pdb code 8ban). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25, PDB code: 8ban:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 8ban

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Calcium binding site 1 out of 8 in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca301

b:35.5
occ:1.00
OE1 C:GLN262 2.3 31.7 1.0
OD2 C:ASP254 2.3 37.6 1.0
OD1 C:ASN256 2.3 33.1 1.0
O C:LYS260 2.3 39.2 1.0
OD2 C:ASP258 2.4 35.5 1.0
OE2 C:GLU265 2.5 28.8 1.0
OE1 C:GLU265 2.5 28.9 1.0
CD C:GLU265 2.8 29.8 1.0
CG C:ASP258 3.3 39.4 1.0
CG C:ASN256 3.4 34.1 1.0
C C:LYS260 3.4 34.5 1.0
CD C:GLN262 3.4 32.5 1.0
CG C:ASP254 3.5 40.3 1.0
OD1 C:ASP258 3.7 38.1 1.0
ND2 C:ASN256 3.9 34.2 1.0
NE2 C:GLN262 4.0 34.1 1.0
N C:GLN262 4.2 33.3 1.0
N C:LYS260 4.2 32.7 1.0
N C:ASP258 4.3 41.6 1.0
N C:ILE261 4.3 32.9 1.0
CG C:GLU265 4.3 32.3 1.0
CA C:LYS260 4.3 35.9 1.0
CA C:ASP254 4.3 33.8 1.0
OD1 C:ASP254 4.4 40.5 1.0
O C:HOH413 4.4 34.4 1.0
N C:ASN256 4.4 35.5 1.0
CA C:ILE261 4.4 32.8 1.0
CB C:ASP258 4.5 35.6 1.0
CB C:ASP254 4.5 36.6 1.0
C C:ASP254 4.5 30.4 1.0
CB C:ASN256 4.6 33.1 1.0
N C:VAL255 4.6 30.7 1.0
CG C:GLN262 4.6 32.5 1.0
N C:LYS257 4.7 40.2 1.0
CB C:LYS260 4.8 32.2 1.0
CA C:ASP258 4.8 37.6 1.0
C C:ILE261 4.8 33.6 1.0
CB C:GLN262 4.8 31.1 1.0
CA C:ASN256 4.8 35.6 1.0
N C:GLY259 4.9 37.0 1.0
C C:ASN256 4.9 35.2 1.0

Calcium binding site 2 out of 8 in 8ban

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Calcium binding site 2 out of 8 in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca302

b:46.6
occ:1.00
OD1 C:ASN164 2.1 49.9 1.0
O C:HOH407 2.3 42.4 1.0
O C:ARG168 2.3 35.7 1.0
OD2 C:ASP166 2.4 47.8 1.0
OD1 C:ASP162 2.4 47.8 1.0
CG C:ASN164 3.2 55.8 1.0
CG C:ASP166 3.2 45.5 1.0
CG C:ASP162 3.4 43.6 1.0
C C:ARG168 3.5 38.2 1.0
ND2 C:ASN164 3.6 63.5 1.0
OD1 C:ASP166 3.7 48.4 1.0
N C:ARG168 4.0 43.2 1.0
OD2 C:ASP173 4.0 38.2 1.0
CA C:ARG168 4.1 42.0 1.0
OD2 C:ASP162 4.2 47.0 1.0
N C:ASP166 4.3 46.2 1.0
CA C:ASP162 4.3 41.7 1.0
CB C:ARG168 4.3 44.2 1.0
CB C:ASP162 4.3 40.4 1.0
CB C:ASP166 4.4 43.6 1.0
N C:ASN164 4.4 58.5 1.0
N C:LEU169 4.5 34.9 1.0
CB C:ASN164 4.5 56.5 1.0
C C:ASP162 4.5 42.9 1.0
N C:LYS163 4.6 51.4 1.0
N C:LYS165 4.6 57.1 1.0
CA C:LEU169 4.7 35.5 1.0
CA C:ASP166 4.7 42.7 1.0
C C:ASN164 4.8 57.9 1.0
CA C:ASN164 4.8 59.1 1.0
N C:ASP170 4.8 39.2 1.0
N C:GLY167 4.8 39.7 1.0
C C:ASP166 4.9 39.2 1.0
C C:LEU169 5.0 35.0 1.0

Calcium binding site 3 out of 8 in 8ban

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Calcium binding site 3 out of 8 in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca303

b:62.7
occ:1.00
OD1 C:ASP210 2.2 34.1 1.0
O C:ALA216 2.3 36.2 1.0
OE2 C:GLU218 2.4 66.9 1.0
OE1 C:GLU221 2.6 41.2 1.0
OG1 C:THR214 2.6 46.5 1.0
OG C:SER212 2.6 41.1 1.0
CG C:ASP210 3.2 42.6 1.0
CD C:GLU221 3.3 39.0 1.0
OE2 C:GLU221 3.4 44.8 1.0
CD C:GLU218 3.5 62.1 1.0
C C:ALA216 3.5 38.8 1.0
N C:THR214 3.6 40.9 1.0
CB C:THR214 3.7 43.4 1.0
CG2 C:THR214 3.9 40.8 1.0
OD2 C:ASP210 4.0 40.6 1.0
CB C:SER212 4.0 42.5 1.0
OE1 C:GLU218 4.0 60.5 1.0
N C:LYS213 4.1 39.9 1.0
CA C:ASP210 4.1 41.5 1.0
N C:ALA216 4.1 38.7 1.0
CA C:THR214 4.2 39.5 1.0
CB C:ASP210 4.2 45.2 1.0
CA C:LEU217 4.4 33.9 1.0
N C:LEU217 4.4 36.4 1.0
C C:SER212 4.4 41.4 1.0
C C:ASP210 4.4 43.2 1.0
N C:SER212 4.4 35.7 1.0
CA C:ALA216 4.5 40.5 1.0
N C:GLU218 4.5 36.7 1.0
CA C:SER212 4.5 40.6 1.0
C C:LYS213 4.7 40.2 1.0
CG C:GLU218 4.7 53.9 1.0
C C:THR214 4.7 42.6 1.0
N C:GLY215 4.7 40.0 1.0
CA C:LYS213 4.8 38.6 1.0
CG C:GLU221 4.8 39.4 1.0
O C:ASP210 4.8 38.4 1.0
C C:LEU217 4.8 35.7 1.0
N C:VAL211 4.9 42.3 1.0

Calcium binding site 4 out of 8 in 8ban

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Calcium binding site 4 out of 8 in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca304

b:42.6
occ:1.00
O C:HOH426 2.1 50.3 1.0
OD1 C:ASP118 2.3 39.7 1.0
O C:PHE124 2.3 39.0 1.0
OG C:SER122 2.3 56.5 1.0
OD1 C:ASP120 2.5 51.3 1.0
OE1 C:GLU129 2.5 42.6 1.0
OE2 C:GLU129 2.9 37.6 1.0
CD C:GLU129 3.1 40.1 1.0
CB C:SER122 3.2 48.8 1.0
CG C:ASP120 3.4 51.7 1.0
CG C:ASP118 3.4 43.1 1.0
C C:PHE124 3.5 38.6 1.0
OD2 C:ASP120 3.5 52.5 1.0
N C:SER122 3.7 49.1 1.0
CA C:SER122 4.0 47.3 1.0
CA C:ASP118 4.0 43.8 1.0
CB C:ASP118 4.2 41.2 1.0
N C:PHE124 4.3 36.8 1.0
OD2 C:ASP118 4.3 41.1 1.0
CA C:ILE125 4.4 36.0 1.0
N C:ILE125 4.4 36.9 1.0
C C:ASP118 4.4 44.7 1.0
CA C:PHE124 4.4 39.1 1.0
CG C:GLU129 4.5 42.9 1.0
N C:SER126 4.6 37.2 1.0
N C:ALA119 4.7 46.2 1.0
N C:ASP120 4.7 46.1 1.0
CB C:ASP120 4.7 48.5 1.0
N C:GLY123 4.7 43.9 1.0
C C:SER122 4.7 47.9 1.0
N C:SER121 4.8 54.5 1.0
C C:SER121 4.9 47.7 1.0
CB C:PHE124 4.9 43.0 1.0
O C:ASP118 4.9 41.8 1.0
C C:ILE125 5.0 36.1 1.0
C C:ASP120 5.0 53.4 1.0

Calcium binding site 5 out of 8 in 8ban

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Calcium binding site 5 out of 8 in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca301

b:33.9
occ:1.00
OE1 D:GLN262 2.3 35.4 1.0
OD2 D:ASP254 2.3 31.2 1.0
O D:LYS260 2.4 31.5 1.0
OD1 D:ASN256 2.4 35.3 1.0
OE1 D:GLU265 2.5 32.2 1.0
OD2 D:ASP258 2.5 29.3 1.0
OE2 D:GLU265 2.7 31.3 1.0
CD D:GLU265 2.9 32.6 1.0
CG D:ASN256 3.4 35.5 1.0
CG D:ASP258 3.4 31.6 1.0
CD D:GLN262 3.4 32.7 1.0
CG D:ASP254 3.5 33.8 1.0
C D:LYS260 3.5 31.8 1.0
OD1 D:ASP258 3.9 34.2 1.0
ND2 D:ASN256 3.9 32.0 1.0
NE2 D:GLN262 4.0 33.8 1.0
N D:GLN262 4.2 36.0 1.0
OD1 D:ASP254 4.2 36.7 1.0
N D:LYS260 4.3 32.2 1.0
N D:ASP258 4.3 30.1 1.0
N D:ILE261 4.4 32.0 1.0
CG D:GLU265 4.4 34.1 1.0
CA D:ILE261 4.4 31.1 1.0
CA D:LYS260 4.4 32.9 1.0
N D:ASN256 4.5 33.4 1.0
CA D:ASP254 4.5 32.6 1.0
N D:LYS257 4.5 35.1 1.0
CB D:ASP254 4.6 31.5 1.0
O D:HOH432 4.6 30.7 1.0
CB D:ASP258 4.6 28.1 1.0
N D:VAL255 4.7 35.5 1.0
CG D:GLN262 4.7 34.2 1.0
CB D:ASN256 4.7 34.2 1.0
C D:ASP254 4.7 33.7 1.0
CB D:GLN262 4.8 34.9 1.0
N D:GLY259 4.8 32.8 1.0
C D:ASN256 4.8 35.4 1.0
CA D:ASN256 4.8 32.6 1.0
C D:ILE261 4.9 35.3 1.0
CA D:ASP258 4.9 29.0 1.0
CB D:LYS260 4.9 38.3 1.0

Calcium binding site 6 out of 8 in 8ban

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Calcium binding site 6 out of 8 in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca302

b:51.6
occ:1.00
OD1 D:ASN164 2.1 50.9 1.0
OD1 D:ASP162 2.2 42.7 1.0
O D:ARG168 2.4 46.8 1.0
OD2 D:ASP166 2.5 43.2 1.0
CG D:ASP166 3.1 49.7 1.0
CG D:ASN164 3.3 49.9 1.0
CG D:ASP162 3.4 45.0 1.0
OD1 D:ASP166 3.4 55.7 1.0
C D:ARG168 3.5 51.0 1.0
ND2 D:ASN164 3.8 52.6 1.0
N D:ARG168 4.1 52.2 1.0
CB D:ASP166 4.1 50.8 1.0
N D:ASP166 4.1 50.8 1.0
OD2 D:ASP173 4.2 46.9 1.0
OD2 D:ASP162 4.2 41.2 1.0
CA D:ASP162 4.2 45.5 1.0
N D:ASN164 4.2 59.8 1.0
CB D:ASP162 4.3 42.2 1.0
CA D:ARG168 4.3 52.1 1.0
C D:ASP162 4.3 49.5 1.0
N D:LYS163 4.4 58.1 1.0
N D:LEU169 4.5 50.4 1.0
N D:LYS165 4.5 63.1 1.0
CB D:ASN164 4.5 50.7 1.0
CA D:ASP166 4.6 47.4 1.0
CA D:LEU169 4.6 48.0 1.0
CA D:ASN164 4.7 55.2 1.0
C D:ASN164 4.7 60.3 1.0
N D:GLY167 4.8 42.7 1.0
O D:ASP162 4.8 54.8 1.0
N D:ASP170 4.9 44.6 1.0
CB D:ARG168 4.9 54.3 1.0
C D:ASP166 4.9 40.2 1.0

Calcium binding site 7 out of 8 in 8ban

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Calcium binding site 7 out of 8 in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca303

b:50.3
occ:1.00
OE2 D:GLU218 2.1 50.2 1.0
OD1 D:ASP210 2.3 30.4 1.0
O D:ALA216 2.3 34.2 1.0
OG D:SER212 2.6 40.9 1.0
OG1 D:THR214 2.6 38.0 1.0
OE1 D:GLU221 2.6 34.4 1.0
CD D:GLU218 3.2 47.4 1.0
OE2 D:GLU221 3.2 38.1 1.0
CD D:GLU221 3.3 34.6 1.0
CG D:ASP210 3.4 34.4 1.0
C D:ALA216 3.5 35.7 1.0
CB D:THR214 3.6 39.9 1.0
OE1 D:GLU218 3.6 42.3 1.0
N D:THR214 3.7 41.9 1.0
CG2 D:THR214 3.7 38.3 1.0
CB D:SER212 3.9 38.4 1.0
N D:LYS213 4.1 42.9 1.0
CA D:THR214 4.2 41.4 1.0
OD2 D:ASP210 4.2 38.0 1.0
CA D:ASP210 4.2 32.4 1.0
N D:ALA216 4.2 34.7 1.0
N D:SER212 4.2 36.2 1.0
C D:SER212 4.3 42.4 1.0
CB D:ASP210 4.3 34.7 1.0
CA D:SER212 4.3 40.7 1.0
CG D:GLU218 4.4 47.0 1.0
N D:LEU217 4.4 35.2 1.0
CA D:LEU217 4.5 35.5 1.0
N D:GLU218 4.5 34.1 1.0
CA D:ALA216 4.5 36.0 1.0
C D:ASP210 4.6 31.2 1.0
C D:LYS213 4.7 40.9 1.0
N D:GLY215 4.7 37.0 1.0
CG D:GLU221 4.8 30.9 1.0
C D:THR214 4.8 38.4 1.0
CA D:LYS213 4.8 45.7 1.0
C D:LEU217 4.9 36.6 1.0
N D:VAL211 4.9 33.5 1.0
O D:SER212 4.9 43.1 1.0

Calcium binding site 8 out of 8 in 8ban

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Calcium binding site 8 out of 8 in the Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Secretagogin (Mouse) in Complex with Its Target Peptide From Snap-25 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca304

b:45.2
occ:1.00
OG D:SER122 2.1 52.5 1.0
OD1 D:ASP118 2.2 46.3 1.0
O D:HOH404 2.3 53.7 1.0
OD1 D:ASP120 2.3 52.8 1.0
OE1 D:GLU129 2.4 36.7 1.0
O D:PHE124 2.4 36.6 1.0
OE2 D:GLU129 2.4 38.4 1.0
CD D:GLU129 2.7 44.6 1.0
CG D:ASP120 3.2 50.0 1.0
CB D:SER122 3.2 49.8 1.0
CG D:ASP118 3.3 45.6 1.0
OD2 D:ASP120 3.4 52.5 1.0
C D:PHE124 3.6 37.8 1.0
N D:SER122 3.9 47.6 1.0
CA D:ASP118 3.9 44.2 1.0
CB D:ASP118 4.2 44.2 1.0
OD2 D:ASP118 4.2 38.7 1.0
CA D:SER122 4.2 45.7 1.0
NH2 D:ARG168 4.2 59.3 1.0
CG D:GLU129 4.2 47.0 1.0
C D:ASP118 4.3 46.0 1.0
CA D:ILE125 4.4 39.3 1.0
N D:ILE125 4.4 36.6 1.0
N D:PHE124 4.4 40.0 1.0
N D:SER126 4.5 41.3 1.0
N D:ASP120 4.6 47.1 1.0
CB D:ASP120 4.6 48.4 1.0
CA D:PHE124 4.6 38.2 1.0
N D:ALA119 4.6 44.4 1.0
O D:ASP118 4.7 45.2 1.0
CZ D:ARG168 4.8 61.4 1.0
N D:SER121 4.9 52.9 1.0
N D:GLY123 4.9 42.6 1.0
C D:ILE125 5.0 39.6 1.0
CA D:ASP120 5.0 50.9 1.0
O D:HOH459 5.0 55.3 1.0
C D:SER122 5.0 47.8 1.0

Reference:

R.Schnell, E.Szodorai. Calmodulin Type Regulator (Mouse) with Peptide Ligand To Be Published.
Page generated: Fri Jul 19 07:15:37 2024

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