Atomistry » Calcium » PDB 4eoy-4fb1 » 4eto
Atomistry »
  Calcium »
    PDB 4eoy-4fb1 »
      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: Sun Jul 14 00:04:50 2024

Last articles

Br in 1DN5
Br in 1DOE
Br in 1DN4
Br in 1DOC
Br in 1D7W
Br in 1DM2
Br in 1DIU
Br in 1DIS
Br in 1DG7
Br in 1DCR
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy