Sodium in PDB 4fao: Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex

The structure of Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex, PDB code: 4fao was solved by S.A.Townson, E.Martinez-Hackert, C.Greppi, P.Lowden, D.Sako, J.Liu, J.A.Ucran, K.Liharska, K.W.Underwood, J.Seehra, R.Kumar, A.V.Grinberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.85 / 3.36
Space group	P 31 1 2
Cell size a, b, c (Å), α, β, γ (°)	216.453, 216.453, 216.953, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 26.1

The binding sites of Sodium atom in the Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex (pdb code 4fao). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 6 binding sites of Sodium where determined in the Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex, PDB code: 4fao:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6;

Sodium binding site 1 out of 6 in the Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Na203 b:44.5 occ:1.00 NH1 F:ARG46 3.3 0.4 1.0 OD1 F:ASN17 3.6 0.9 1.0 OE2 F:GLU53 4.3 0.7 1.0 CB F:ALA16 4.4 97.6 1.0 CG F:ASN17 4.5 0.6 1.0 CG2 F:VAL55 4.5 76.5 1.0 CB F:ASN17 4.5 71.1 1.0 N F:ASN17 4.6 54.7 1.0 CZ F:ARG46 4.6 0.7 1.0 CG1 F:VAL55 4.7 60.1 1.0 CG1 B:VAL92 4.8 81.8 1.0 CA F:ASN17 4.8 67.5 1.0

Sodium binding site 2 out of 6 in the Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex within 5.0Å range: probe atom residue distance (Å) B Occ K:Na203 b:36.6 occ:1.00 NH1 K:ARG46 3.0 96.3 1.0 OD1 K:ASN17 3.7 0.6 1.0 CZ K:ARG46 4.2 0.1 1.0 CG1 K:VAL55 4.3 61.1 1.0 CG2 K:VAL55 4.4 75.5 1.0 CG K:ASN17 4.4 0.7 1.0 CD G:PRO93 4.4 72.1 1.0 CB K:ASN17 4.5 80.3 1.0 NH2 K:ARG46 4.6 0.8 1.0 CG1 G:VAL92 4.6 92.2 1.0 OE2 K:GLU53 4.8 0.9 1.0 CB K:VAL55 4.8 72.7 1.0 N K:ASN17 4.9 64.0 1.0 CG G:PRO93 4.9 57.3 1.0 CB K:ALA16 5.0 98.8 1.0

Sodium binding site 3 out of 6 in the Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex within 5.0Å range: probe atom residue distance (Å) B Occ R:Na203 b:58.7 occ:1.00 NH1 R:ARG46 3.1 0.2 1.0 OD1 R:ASN17 3.8 0.8 1.0 OE2 R:GLU53 4.3 0.9 1.0 CG2 R:VAL55 4.4 79.0 1.0 CZ R:ARG46 4.4 0.0 1.0 CG R:ASN17 4.6 0.3 1.0 CB R:ALA16 4.6 93.3 1.0 CG1 N:VAL92 4.6 87.6 1.0 CB R:ASN17 4.6 75.5 1.0 CG1 R:VAL55 4.7 75.4 1.0 N R:ASN17 4.9 72.2 1.0 NH2 R:ARG46 5.0 0.3 1.0 CD N:PRO93 5.0 75.0 1.0 CB R:VAL55 5.0 77.8 1.0

Sodium binding site 4 out of 6 in the Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex within 5.0Å range: probe atom residue distance (Å) B Occ X:Na203 b:37.2 occ:1.00 NH1 X:ARG46 3.1 99.5 1.0 OD1 X:ASN17 3.4 0.3 1.0 CG1 T:VAL92 4.1 75.8 1.0 CG X:ASN17 4.2 0.8 1.0 CZ X:ARG46 4.4 0.4 1.0 CB X:ASN17 4.5 76.5 1.0 OE2 X:GLU53 4.7 0.3 1.0 CD T:PRO93 4.8 65.0 1.0 CG2 X:VAL55 4.8 75.9 1.0 NH2 X:ARG46 4.8 0.7 1.0 CG1 X:VAL55 4.9 54.6 1.0 N X:ASN17 5.0 63.9 1.0

Sodium binding site 5 out of 6 in the Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex within 5.0Å range: probe atom residue distance (Å) B Occ e:Na203 b:52.5 occ:1.00 NH1 e:ARG46 3.0 0.9 1.0 OD1 e:ASN17 3.5 0.4 1.0 CZ e:ARG46 4.1 1.0 1.0 CG1 a:VAL92 4.2 81.9 1.0 CG e:ASN17 4.4 0.3 1.0 CD a:PRO93 4.5 74.2 1.0 NH2 e:ARG46 4.5 0.5 1.0 CB e:ASN17 4.6 73.7 1.0 CG2 e:VAL55 4.6 68.7 1.0 CG1 e:VAL55 4.7 64.2 1.0 OE2 e:GLU53 4.8 0.0 1.0

Sodium binding site 6 out of 6 in the Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Specificity and Structure of A High Affinity Activin-Like 1 (ALK1) Signaling Complex within 5.0Å range: probe atom residue distance (Å) B Occ k:Na203 b:62.8 occ:1.00 NH1 k:ARG46 3.1 0.8 1.0 OD1 k:ASN17 3.6 0.3 1.0 CG2 k:VAL55 4.3 66.2 1.0 CZ k:ARG46 4.3 0.7 1.0 CG k:ASN17 4.4 0.6 1.0 CG1 k:VAL55 4.4 57.8 1.0 CB k:ASN17 4.5 74.2 1.0 CG1 g:VAL92 4.6 78.9 1.0 OE2 k:GLU53 4.6 0.0 1.0 CB k:ALA16 4.7 93.5 1.0 CD g:PRO93 4.7 67.8 1.0 N k:ASN17 4.8 58.3 1.0 NH2 k:ARG46 4.8 0.5 1.0 CB k:VAL55 4.9 60.6 1.0 CA k:ASN17 5.0 71.6 1.0

S.A.Townson, E.Martinez-Hackert, C.Greppi, P.Lowden, D.Sako, J.Liu, J.A.Ucran, K.Liharska, K.W.Underwood, J.Seehra, R.Kumar, A.V.Grinberg. Specificity and Structure of A High Affinity Activin Receptor-Like Kinase 1 (ALK1) Signaling Complex. J.Biol.Chem. V. 287 27313 2012.
ISSN: ISSN 0021-9258
PubMed: 22718755
DOI: 10.1074/JBC.M112.377960