Atomistry » Calcium » PDB 4elg-4fa1 » 4eto
Atomistry »
  Calcium »
    PDB 4elg-4fa1 »
      4eto »

Calcium in PDB 4eto: Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide

Protein crystallography data

The structure of Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide, PDB code: 4eto was solved by U.A.Ramagopal, N.G.Dulyaninova, P.R.Kumar, S.C.Almo, A.R.Bresnick, Newyork Structural Genomics Research Consortium (Nysgrc), Atoms-To-Animals: The Immune Function Network (Ifn), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.99 / 1.54
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 30.279, 91.989, 32.864, 90.00, 112.60, 90.00
R / Rfree (%) 20.9 / 25.1

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide (pdb code 4eto). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide, PDB code: 4eto:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4eto

Go back to Calcium Binding Sites List in 4eto
Calcium binding site 1 out of 4 in the Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca101

b:13.9
occ:1.00
O A:GLU23 2.3 16.4 1.0
O A:HOH204 2.3 14.2 1.0
O A:LYS28 2.4 13.8 1.0
O A:SER20 2.4 14.8 1.0
OE1 A:GLU33 2.4 14.4 1.0
O A:ASP25 2.5 16.3 1.0
OE2 A:GLU33 2.6 14.8 1.0
CD A:GLU33 2.9 14.6 1.0
C A:SER20 3.4 14.9 1.0
C A:GLU23 3.5 19.5 1.0
C A:ASP25 3.6 17.0 1.0
C A:LYS28 3.6 14.4 1.0
CA A:SER20 4.0 12.6 1.0
N A:ASP25 4.1 19.9 1.0
N A:GLU23 4.2 18.7 1.0
C A:GLY24 4.2 19.8 1.0
OE1 A:GLU69 4.2 32.5 1.0
N A:LYS28 4.4 14.7 1.0
N A:ASN30 4.4 12.7 1.0
CA A:GLU23 4.4 19.5 1.0
CG A:GLU33 4.4 15.7 1.0
CA A:LYS26 4.4 18.0 1.0
CA A:LEU29 4.4 12.4 1.0
CA A:ASP25 4.5 17.5 1.0
N A:LYS26 4.5 16.6 1.0
N A:LEU29 4.5 11.4 1.0
N A:GLY24 4.5 19.6 1.0
O A:GLY24 4.5 21.5 1.0
N A:GLY21 4.5 16.8 1.0
CA A:LYS28 4.5 14.0 1.0
CB A:SER20 4.6 12.2 1.0
CA A:GLY24 4.6 20.6 1.0
C A:LYS26 4.8 17.0 1.0
N A:LYS22 4.8 19.1 1.0
C A:LEU29 4.8 12.7 1.0
O A:TYR19 4.9 13.5 1.0
CA A:GLY21 4.9 17.9 1.0
CB A:GLU23 4.9 19.9 1.0
CB A:ASP25 4.9 19.4 1.0
C A:GLY21 5.0 19.1 1.0

Calcium binding site 2 out of 4 in 4eto

Go back to Calcium Binding Sites List in 4eto
Calcium binding site 2 out of 4 in the Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca102

b:11.3
occ:1.00
O A:GLU69 2.3 12.2 1.0
OD1 A:ASN65 2.3 10.8 1.0
OD1 A:ASP63 2.3 12.6 1.0
OD1 A:ASP67 2.4 13.0 1.0
O A:HOH216 2.4 12.5 1.0
OE1 A:GLU74 2.5 10.6 1.0
OE2 A:GLU74 2.5 12.4 1.0
CD A:GLU74 2.8 10.2 1.0
CG A:ASP67 3.4 12.3 1.0
CG A:ASP63 3.4 11.4 1.0
CG A:ASN65 3.5 10.8 1.0
C A:GLU69 3.5 11.6 1.0
OD2 A:ASP67 3.7 13.1 1.0
CA A:ASP63 4.0 11.9 1.0
ND2 A:ASN65 4.1 12.0 1.0
CB A:ASP63 4.2 11.8 1.0
N A:GLU69 4.2 14.0 1.0
N A:ASP67 4.2 11.8 1.0
C A:ASP63 4.3 13.6 1.0
N A:ASN65 4.3 13.2 1.0
CG A:GLU74 4.3 9.0 1.0
CA A:VAL70 4.4 9.6 1.0
N A:VAL70 4.4 10.2 1.0
CA A:GLU69 4.4 14.4 1.0
OD2 A:ASP63 4.4 14.1 1.0
N A:ASP71 4.5 8.8 1.0
OD2 A:ASP71 4.5 14.5 1.0
CB A:ASN65 4.6 13.3 1.0
CB A:ASP67 4.6 12.5 1.0
N A:ARG66 4.6 12.2 1.0
N A:SER64 4.6 13.6 1.0
CA A:ASN65 4.8 11.5 1.0
CA A:ASP67 4.8 13.3 1.0
O A:ASP63 4.8 13.5 1.0
CB A:GLU69 4.8 16.4 1.0
C A:ASN65 4.8 12.4 1.0
N A:ASN68 4.8 14.9 1.0
CG A:ASP71 4.9 13.3 1.0
C A:VAL70 4.9 9.0 1.0
O A:HOH221 5.0 21.6 1.0
C A:ASP67 5.0 14.6 1.0

Calcium binding site 3 out of 4 in 4eto

Go back to Calcium Binding Sites List in 4eto
Calcium binding site 3 out of 4 in the Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca101

b:21.2
occ:1.00
O B:HOH218 2.3 24.2 1.0
OD1 B:ASP67 2.4 27.8 1.0
OE1 B:GLU74 2.4 17.2 1.0
OD1 B:ASN65 2.4 26.8 1.0
OD1 B:ASP63 2.4 28.4 1.0
O B:GLU69 2.4 20.9 1.0
OE2 B:GLU74 2.7 19.4 1.0
CD B:GLU74 2.9 18.3 1.0
CG B:ASP67 3.3 28.1 1.0
CG B:ASN65 3.5 29.4 1.0
CG B:ASP63 3.5 27.7 1.0
C B:GLU69 3.5 20.6 1.0
OD2 B:ASP67 3.6 28.5 1.0
ND2 B:ASN65 4.1 31.9 1.0
N B:GLU69 4.2 23.8 1.0
CA B:ASP63 4.2 25.7 1.0
N B:ASP67 4.2 28.5 1.0
N B:ASP71 4.3 14.7 1.0
CB B:ASP63 4.3 25.5 1.0
CA B:VAL70 4.3 16.4 1.0
OD2 B:ASP63 4.4 28.9 1.0
N B:VAL70 4.4 17.9 1.0
CG B:GLU74 4.4 11.7 1.0
CA B:GLU69 4.4 21.4 1.0
OD2 B:ASP71 4.5 22.3 1.0
CB B:ASP67 4.5 27.7 1.0
N B:ASN65 4.5 29.8 1.0
C B:ASP63 4.6 26.8 1.0
N B:ARG66 4.6 30.8 1.0
CB B:ASN65 4.6 30.2 1.0
CG B:ASP71 4.7 18.6 1.0
C B:VAL70 4.8 16.0 1.0
CA B:ASP67 4.8 28.2 1.0
N B:SER64 4.8 26.8 1.0
C B:ASN65 4.8 30.4 1.0
CA B:ASN65 4.9 30.0 1.0
N B:ASN68 5.0 26.4 1.0
C B:ASP67 5.0 26.5 1.0

Calcium binding site 4 out of 4 in 4eto

Go back to Calcium Binding Sites List in 4eto
Calcium binding site 4 out of 4 in the Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of S100A4 in Complex with Non-Muscle Myosin-Iia Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca102

b:21.1
occ:1.00
O B:HOH207 1.8 23.7 1.0
O B:SER20 2.4 19.2 1.0
O B:ASP25 2.4 23.6 1.0
OE1 B:GLU33 2.4 19.0 1.0
O B:GLU23 2.4 26.6 1.0
O B:LYS28 2.4 16.6 1.0
OE2 B:GLU33 2.5 18.2 1.0
CD B:GLU33 2.8 16.7 1.0
C B:SER20 3.4 18.2 1.0
C B:ASP25 3.5 23.2 1.0
C B:GLU23 3.6 25.9 1.0
C B:LYS28 3.7 18.0 1.0
CA B:SER20 3.8 17.6 1.0
N B:GLU23 4.1 24.9 1.0
N B:ASP25 4.3 25.8 1.0
CG B:GLU33 4.3 17.4 1.0
N B:LYS26 4.4 23.3 1.0
CA B:LYS26 4.4 23.4 1.0
CA B:GLU23 4.4 26.1 1.0
CA B:ASP25 4.4 24.6 1.0
OE2 B:GLU69 4.4 29.1 1.0
CB B:SER20 4.5 16.9 1.0
N B:LYS28 4.5 19.4 1.0
N B:GLY21 4.5 20.4 1.0
C B:GLY24 4.5 24.3 1.0
N B:ASN30 4.5 21.5 1.0
N B:LEU29 4.5 17.4 1.0
CA B:LEU29 4.6 16.9 1.0
C B:LYS26 4.6 22.0 1.0
O B:TYR19 4.6 20.2 1.0
N B:GLY24 4.7 25.5 1.0
CA B:LYS28 4.7 19.5 1.0
N B:LYS22 4.7 22.8 1.0
CB B:ASP25 4.7 24.4 1.0
O B:HOH228 4.8 26.9 1.0
O B:GLY24 4.8 26.1 1.0
CB B:GLU23 4.8 26.6 1.0
N B:PHE27 4.8 21.9 1.0
CA B:GLY24 4.9 25.8 1.0
CA B:GLY21 4.9 22.2 1.0
C B:LEU29 5.0 18.2 1.0

Reference:

U.A.Ramagopal, N.G.Dulyaninova, P.R.Kumar, S.C.Almo, A.R.Bresnick. Structure of S100A4 with Bound Peptide P To Be Published.
Page generated: Sat Dec 12 04:45:34 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy