Calcium in PDB 7qp3: Pseudogymnoascus Pannorum M36 Protease Without the Propeptide

Protein crystallography data

The structure of Pseudogymnoascus Pannorum M36 Protease Without the Propeptide, PDB code: 7qp3 was solved by C.Wilkens, J.Qiu, A.S.Meyer, J.P.Morth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.93 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.08, 67.49, 130.61, 90, 90, 90
R / Rfree (%) 14.9 / 20

Other elements in 7qp3:

The structure of Pseudogymnoascus Pannorum M36 Protease Without the Propeptide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Pseudogymnoascus Pannorum M36 Protease Without the Propeptide (pdb code 7qp3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Pseudogymnoascus Pannorum M36 Protease Without the Propeptide, PDB code: 7qp3:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 7qp3

Go back to Calcium Binding Sites List in 7qp3
Calcium binding site 1 out of 5 in the Pseudogymnoascus Pannorum M36 Protease Without the Propeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pseudogymnoascus Pannorum M36 Protease Without the Propeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:20.6
occ:1.00
OD1 A:ASN55 2.3 24.4 1.0
O A:SER61 2.4 21.2 1.0
OD1 A:ASP59 2.4 23.4 1.0
OD1 A:ASP65 2.4 23.5 1.0
OD2 A:ASP57 2.4 23.3 1.0
OD1 A:ASN64 2.5 23.3 1.0
OD2 A:ASP65 2.5 28.6 1.0
OD1 A:ASP57 2.5 24.1 1.0
CG A:ASP65 2.8 23.9 1.0
CG A:ASP57 2.8 26.8 1.0
CG A:ASP59 3.4 27.6 1.0
CG A:ASN64 3.5 28.8 1.0
CG A:ASN55 3.5 25.9 1.0
C A:SER61 3.5 23.8 1.0
HD22 A:ASN64 3.5 29.1 1.0
HB3 A:SER61 3.7 35.8 1.0
OD2 A:ASP59 3.8 26.6 1.0
HA A:TRP62 3.8 27.6 1.0
H A:SER61 3.8 33.2 1.0
HA A:ASN55 3.9 25.1 1.0
H A:ASP59 3.9 26.1 1.0
ND2 A:ASN64 3.9 24.3 1.0
HD21 A:ASN55 4.1 27.0 1.0
H A:ASN64 4.1 25.6 1.0
ND2 A:ASN55 4.2 22.5 1.0
CB A:ASP65 4.3 20.8 1.0
O A:HOH678 4.3 21.1 1.0
CA A:SER61 4.3 23.5 1.0
N A:SER61 4.4 27.7 1.0
CB A:ASP57 4.4 22.1 1.0
O A:HOH589 4.4 22.6 1.0
O A:HOH557 4.4 30.1 1.0
CB A:SER61 4.4 29.9 1.0
H A:ASP57 4.4 26.0 1.0
N A:TRP62 4.5 22.0 1.0
CA A:TRP62 4.6 23.1 1.0
HG A:SER61 4.6 33.8 1.0
CB A:ASN55 4.6 18.3 1.0
N A:ASP59 4.6 21.8 1.0
C A:ASN64 4.6 28.6 1.0
CA A:ASN55 4.6 20.9 1.0
CB A:ASP59 4.6 24.3 1.0
HB3 A:ASP57 4.7 26.5 1.0
HB2 A:ASP65 4.7 24.9 1.0
O A:ASN64 4.7 24.0 1.0
HB3 A:ASP65 4.7 24.9 1.0
O A:ASP59 4.7 21.5 1.0
HD21 A:ASN64 4.8 29.1 1.0
C A:ASP59 4.8 22.0 1.0
N A:ASP65 4.8 23.8 1.0
CB A:ASN64 4.8 31.7 1.0
HB2 A:ASP57 4.8 26.5 1.0
HB2 A:ASN55 4.9 22.0 1.0
OG A:SER61 4.9 28.2 1.0
N A:ASN64 4.9 21.4 1.0
CA A:ASP59 4.9 25.3 1.0
HA A:ASP65 4.9 32.4 1.0
CA A:ASP65 4.9 27.0 1.0
HB3 A:ASP59 4.9 29.2 1.0

Calcium binding site 2 out of 5 in 7qp3

Go back to Calcium Binding Sites List in 7qp3
Calcium binding site 2 out of 5 in the Pseudogymnoascus Pannorum M36 Protease Without the Propeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Pseudogymnoascus Pannorum M36 Protease Without the Propeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:17.2
occ:1.00
OD1 A:ASP155 2.3 23.1 1.0
O A:LYS130 2.3 17.8 1.0
O A:ASN119 2.3 16.5 1.0
OD2 A:ASP133 2.4 17.6 1.0
O A:HOH593 2.4 20.1 1.0
O A:HOH617 2.4 19.2 1.0
OD1 A:ASP133 2.5 21.4 1.0
CG A:ASP133 2.8 20.8 1.0
CG A:ASP155 3.4 24.7 1.0
HH12 A:ARG193 3.4 23.6 1.0
HD21 A:ASN124 3.4 25.8 1.0
C A:ASN119 3.5 18.4 1.0
C A:LYS130 3.5 22.6 1.0
H A:GLY156 3.5 23.7 1.0
H A:GLU121 3.6 22.2 1.0
HA A:PHE120 3.7 21.5 1.0
HA2 A:GLY131 3.8 23.1 1.0
H A:LYS130 3.8 25.2 1.0
OD2 A:ASP155 3.8 20.3 1.0
NH1 A:ARG193 3.9 19.7 1.0
HH11 A:ARG193 4.0 23.6 1.0
N A:ASN119 4.2 16.7 1.0
HA2 A:GLY118 4.2 23.8 1.0
HA A:ASP155 4.2 22.1 1.0
C A:GLY118 4.2 18.1 1.0
ND2 A:ASN124 4.3 21.6 1.0
N A:PHE120 4.3 18.8 1.0
HB2 A:LYS130 4.3 28.4 1.0
OD1 A:ASN119 4.3 16.4 1.0
N A:GLY156 4.3 19.8 1.0
H A:ASN119 4.3 20.0 1.0
CB A:ASP133 4.3 18.5 1.0
N A:GLU121 4.4 18.5 1.0
CA A:PHE120 4.4 18.0 1.0
N A:LYS130 4.4 21.0 1.0
N A:GLY131 4.4 19.7 1.0
CA A:GLY131 4.5 19.3 1.0
CA A:ASN119 4.5 17.1 1.0
O A:GLY118 4.5 19.5 1.0
CA A:LYS130 4.5 19.8 1.0
OD1 A:ASN124 4.6 18.2 1.0
HB3 A:ASP133 4.6 22.2 1.0
O A:GLU121 4.6 16.9 1.0
CB A:ASP155 4.7 22.6 1.0
HA2 A:GLY156 4.7 27.7 1.0
HB2 A:ASP133 4.7 22.2 1.0
CA A:GLY118 4.8 19.9 1.0
CA A:ASP155 4.8 18.4 1.0
O A:GLY131 4.8 18.5 1.0
HD22 A:ASN124 4.9 25.8 1.0
CG A:ASN124 4.9 23.4 1.0
C A:GLY131 4.9 22.0 1.0
C A:PHE120 4.9 15.9 1.0
CB A:LYS130 4.9 23.7 1.0
H A:ASP133 4.9 23.6 1.0
O A:GLU115 5.0 18.8 1.0
CZ A:ARG193 5.0 19.4 1.0

Calcium binding site 3 out of 5 in 7qp3

Go back to Calcium Binding Sites List in 7qp3
Calcium binding site 3 out of 5 in the Pseudogymnoascus Pannorum M36 Protease Without the Propeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Pseudogymnoascus Pannorum M36 Protease Without the Propeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca406

b:47.0
occ:1.00
O A:HOH508 1.9 31.2 1.0
O A:HOH560 2.0 28.7 1.0
O A:HOH506 2.1 17.9 1.0
OE1 A:GLU121 2.1 22.4 1.0
OE2 A:GLU115 2.2 26.5 1.0
CD A:GLU121 2.8 23.4 1.0
OE2 A:GLU121 2.8 18.3 1.0
CD A:GLU115 3.2 25.1 1.0
HG3 A:GLU115 3.3 28.2 1.0
HG2 A:GLU115 3.3 28.2 1.0
CG A:GLU115 3.5 23.5 1.0
O A:HOH727 3.6 29.6 1.0
O A:HOH750 3.6 33.9 1.0
HA A:ASN124 3.6 32.7 1.0
OE1 A:GLU31 3.7 23.5 1.0
HD22 A:ASN48 3.7 25.9 1.0
HD21 A:ASN48 3.8 25.9 1.0
HE2 A:HIS109 3.8 26.9 1.0
OE2 A:GLU31 3.8 29.2 1.0
O A:HOH584 3.9 19.4 1.0
O A:ASN123 4.0 17.4 1.0
ND2 A:ASN48 4.1 21.6 1.0
CD A:GLU31 4.2 30.5 1.0
CG A:GLU121 4.2 21.2 1.0
O A:ALA29 4.2 23.3 1.0
HD2 A:HIS109 4.3 21.9 1.0
OE1 A:GLU115 4.3 25.7 1.0
HE2 A:HIS105 4.4 24.7 1.0
NE2 A:HIS109 4.4 22.4 1.0
HD21 A:ASN119 4.4 23.6 1.0
O A:ASN124 4.5 18.2 1.0
CA A:ASN124 4.5 27.3 1.0
HB3 A:GLU121 4.5 20.6 1.0
HB2 A:GLU121 4.6 20.6 1.0
HG2 A:GLU121 4.6 25.4 1.0
CD2 A:HIS109 4.6 18.3 1.0
C A:ASN124 4.7 21.1 1.0
HB3 A:ASN125 4.7 24.9 1.0
CB A:GLU121 4.7 17.2 1.0
HG3 A:GLU121 4.8 25.4 1.0
HB2 A:ASN125 4.9 24.9 1.0
HE2 A:PHE32 4.9 24.8 1.0
HE1 A:HIS105 5.0 22.1 1.0
CB A:GLU115 5.0 20.5 1.0

Calcium binding site 4 out of 5 in 7qp3

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Calcium binding site 4 out of 5 in the Pseudogymnoascus Pannorum M36 Protease Without the Propeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Pseudogymnoascus Pannorum M36 Protease Without the Propeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca407

b:33.1
occ:1.00
O A:GLY197 2.2 19.1 1.0
O A:THR195 2.3 18.1 1.0
O A:ASN200 2.3 22.4 0.5
O A:ASN200 2.3 22.4 0.5
O A:ASN192 2.4 16.9 1.0
O A:ARG193 2.4 18.1 1.0
C A:ARG193 3.1 20.7 1.0
C A:GLY197 3.1 20.2 1.0
HA A:ARG193 3.2 26.2 1.0
C A:THR195 3.3 20.0 1.0
H A:GLY197 3.3 25.8 1.0
N A:GLY197 3.4 21.6 1.0
C A:ASN192 3.5 17.4 1.0
C A:ASN200 3.5 25.1 0.5
C A:ASN200 3.5 25.1 0.5
H A:ASN200 3.5 27.0 0.5
CA A:ARG193 3.5 21.9 1.0
HA A:PRO198 3.6 28.2 1.0
H A:ASN200 3.6 27.1 0.5
N A:THR195 3.7 18.1 1.0
HA A:THR201 3.7 33.1 1.0
H A:THR195 3.8 21.6 1.0
C A:GLY196 3.8 25.4 1.0
HB2 A:ASN200 3.8 30.5 0.5
CA A:GLY197 3.9 19.9 1.0
HG22 A:THR201 3.9 28.3 1.0
C A:LEU194 3.9 17.8 1.0
N A:PRO198 4.0 21.1 1.0
N A:ARG193 4.0 16.7 1.0
HB3 A:ASN200 4.0 30.6 0.5
N A:LEU194 4.0 17.6 1.0
CA A:THR195 4.1 17.3 1.0
CA A:PRO198 4.1 23.5 1.0
N A:GLY196 4.1 18.8 1.0
HA3 A:GLY196 4.2 30.2 1.0
N A:ASN200 4.2 22.6 0.5
O A:HOH721 4.2 18.8 1.0
N A:ASN200 4.2 22.6 0.5
CA A:GLY196 4.3 25.2 1.0
CA A:ASN200 4.3 24.0 0.5
HG23 A:THR201 4.3 28.3 1.0
O A:LEU194 4.3 18.3 1.0
CA A:ASN200 4.3 24.0 0.5
HB A:THR195 4.4 22.8 1.0
O A:GLY196 4.4 21.9 1.0
HA2 A:GLY197 4.4 23.8 1.0
N A:THR201 4.4 23.9 1.0
CA A:LEU194 4.5 17.6 1.0
CA A:THR201 4.5 27.6 1.0
C A:PRO198 4.5 25.8 1.0
CG2 A:THR201 4.5 23.6 1.0
CB A:ASN200 4.5 25.5 0.5
HA3 A:GLY197 4.6 23.8 1.0
HB2 A:CYS203 4.6 28.8 1.0
HA A:ASN192 4.6 21.7 1.0
H A:LEU194 4.6 21.1 1.0
HA A:LEU194 4.6 21.1 1.0
CB A:ASN200 4.6 25.6 0.5
CA A:ASN192 4.7 18.1 1.0
CB A:THR195 4.8 19.0 1.0
H A:ARG193 4.8 20.0 1.0
HA A:THR195 4.9 20.7 1.0
HD3 A:ARG193 4.9 22.2 1.0
H A:GLY196 4.9 22.5 1.0
O A:PRO198 4.9 21.3 1.0
CB A:ARG193 5.0 17.6 1.0
N A:ALA199 5.0 24.2 1.0
O A:SER191 5.0 19.4 1.0

Calcium binding site 5 out of 5 in 7qp3

Go back to Calcium Binding Sites List in 7qp3
Calcium binding site 5 out of 5 in the Pseudogymnoascus Pannorum M36 Protease Without the Propeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Pseudogymnoascus Pannorum M36 Protease Without the Propeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca408

b:71.5
occ:1.00
OD2 A:ASP313 2.5 39.7 1.0
O A:HOH628 2.6 33.9 1.0
HB2 A:SER299 2.8 51.5 1.0
HB3 A:SER299 3.1 51.5 1.0
CB A:SER299 3.2 43.0 1.0
HB3 A:ALA301 3.3 47.8 1.0
OG A:SER299 3.4 48.9 1.0
O A:HOH520 3.4 32.3 1.0
CG A:ASP313 3.6 31.8 1.0
HB2 A:ALA301 3.6 47.8 1.0
HD2 A:PHE316 3.6 27.6 1.0
HE2 A:PHE316 3.6 36.1 1.0
HB3 A:ASP313 3.7 27.8 1.0
CB A:ALA301 3.9 39.9 1.0
HG A:SER299 4.0 58.6 1.0
CB A:ASP313 4.2 23.2 1.0
CD2 A:PHE316 4.2 23.1 1.0
CE2 A:PHE316 4.2 30.1 1.0
H A:THR305 4.2 33.7 1.0
OG1 A:THR312 4.2 44.7 1.0
HG1 A:THR312 4.3 53.6 1.0
HB A:THR305 4.3 34.5 1.0
H A:ALA301 4.3 39.1 1.0
HA A:PRO304 4.3 32.5 1.0
HB1 A:ALA301 4.4 47.8 1.0
OD1 A:ASP313 4.5 30.5 1.0
H A:ASP313 4.6 32.0 1.0
OG1 A:THR305 4.7 38.1 1.0
HG1 A:THR305 4.7 45.6 1.0
CA A:SER299 4.7 36.5 1.0
HB2 A:ASP313 4.7 27.8 1.0
O A:GLN303 4.8 30.4 1.0
N A:THR305 4.8 28.1 1.0
HA A:SER299 4.9 43.8 1.0
CB A:THR305 4.9 28.8 1.0

Reference:

C.Wilkens, J.Qiu, A.S.Meyer, J.P.Morth. Phaeosphaeria Nodorum M36 Protease Without the Propeptide To Be Published.
Page generated: Fri Jul 19 03:29:47 2024

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