Sodium in PDB 7oxx: CRABP2 Mutant R30AK31A

The structure of CRABP2 Mutant R30AK31A, PDB code: 7oxx was solved by C.W.E.Tomlinson, A.Basle, E.Pohl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.39 / 1.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.17, 106.02, 55.54, 90, 101.7, 90
R / Rfree (%)	15.8 / 20

The binding sites of Sodium atom in the CRABP2 Mutant R30AK31A (pdb code 7oxx). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the CRABP2 Mutant R30AK31A, PDB code: 7oxx:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the CRABP2 Mutant R30AK31A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of CRABP2 Mutant R30AK31A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na201 b:16.8 occ:1.00 HG C:SER13 2.6 19.2 0.0 H A:GLU17 2.6 14.4 1.0 HB3 A:GLU17 2.9 14.6 1.0 O D:HOH344 2.9 19.5 1.0 HH21 D:ARG133 3.0 25.5 1.0 OG C:SER13 3.0 19.4 1.0 O C:HOH371 3.0 20.1 1.0 HB2 A:PHE16 3.2 17.4 0.5 H A:PHE16 3.2 15.0 1.0 HB2 C:PHE16 3.3 17.4 1.0 HB3 C:SER13 3.3 17.7 1.0 HB3 C:PHE16 3.4 18.2 1.0 N A:GLU17 3.4 14.4 1.0 OE1 A:GLU17 3.4 16.9 1.0 HB3 A:PHE16 3.6 15.0 0.5 N A:PHE16 3.7 15.1 1.0 CB C:SER13 3.7 17.4 1.0 CB C:PHE16 3.8 17.4 1.0 NH2 D:ARG133 3.8 26.0 1.0 CB A:GLU17 3.8 14.6 1.0 CB A:PHE16 4.0 17.0 0.5 H A:ASN15 4.0 15.2 1.0 CD A:GLU17 4.1 16.2 1.0 HA A:ASN15 4.1 13.9 1.0 HH22 D:ARG133 4.1 25.4 1.0 CA A:GLU17 4.1 13.6 1.0 CA A:PHE16 4.2 15.3 0.5 CB A:PHE16 4.2 15.0 0.5 HB3 A:PHE16 4.2 16.9 0.5 CA A:PHE16 4.2 14.9 0.5 C A:PHE16 4.2 14.5 1.0 HE D:ARG133 4.2 19.9 1.0 HB2 A:PHE16 4.3 15.3 0.5 H C:PHE16 4.3 15.9 1.0 O C:SER13 4.3 17.3 1.0 HB2 C:SER13 4.3 17.8 1.0 O A:HOH352 4.3 15.4 1.0 CG A:GLU17 4.3 17.4 1.0 C A:ASN15 4.4 13.8 1.0 HD2 C:PHE16 4.4 23.3 1.0 O B:HOH340 4.4 18.8 1.0 CG C:PHE16 4.4 20.2 1.0 HB2 A:GLU17 4.5 14.7 1.0 N A:ASN15 4.5 15.8 1.0 CA A:ASN15 4.5 13.6 1.0 HA A:GLU17 4.5 13.3 1.0 HG3 A:GLU17 4.6 17.1 1.0 C C:SER13 4.6 15.3 1.0 CD2 C:PHE16 4.7 22.8 1.0 HA D:ALA36 4.8 18.4 1.0 CA C:SER13 4.8 16.5 1.0 CZ D:ARG133 4.8 21.6 1.0 O D:ALA36 4.9 16.7 1.0 NE D:ARG133 4.9 20.2 1.0 CA C:PHE16 5.0 15.8 1.0

Sodium binding site 2 out of 4 in the CRABP2 Mutant R30AK31A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of CRABP2 Mutant R30AK31A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na201 b:19.9 occ:1.00 O B:HOH417 2.0 19.1 1.0 O B:HOH314 2.0 23.3 1.0 O B:HOH416 2.1 23.6 1.0 O B:HOH413 2.1 22.9 1.0 O B:HOH412 2.1 22.9 1.0 O B:HOH349 2.1 21.5 1.0 O B:HOH395 4.0 33.3 1.0 O B:HOH332 4.1 41.5 1.0 OD1 B:ASP49 4.2 25.5 1.0 O B:HOH399 4.2 47.4 1.0 OD2 B:ASP49 4.5 29.8 1.0 CG B:ASP49 4.8 23.5 1.0 HE1 B:TRP88 5.0 21.6 1.0

Sodium binding site 3 out of 4 in the CRABP2 Mutant R30AK31A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of CRABP2 Mutant R30AK31A within 5.0Å range: probe atom residue distance (Å) B Occ C:Na201 b:19.8 occ:1.00 O A:HOH334 2.0 23.7 1.0 O C:HOH395 2.0 21.1 1.0 O C:HOH384 2.0 20.4 1.0 O A:HOH316 2.1 20.1 1.0 O C:HOH327 2.1 20.0 1.0 O D:HOH371 2.2 26.0 1.0 HA C:ILE11 3.7 17.4 1.0 HZ2 D:LYS39 3.9 19.3 1.0 O C:HOH325 4.0 19.0 1.0 OE2 A:GLU18 4.2 19.6 1.0 OE1 A:GLU18 4.2 21.4 1.0 HZ1 D:LYS39 4.3 20.3 1.0 O C:ILE11 4.3 20.1 1.0 HG21 C:ILE11 4.3 21.9 1.0 O C:ILE10 4.4 17.2 1.0 O D:HOH375 4.5 49.1 1.0 NZ D:LYS39 4.5 19.4 1.0 CA C:ILE11 4.6 17.6 1.0 CD A:GLU18 4.6 18.4 1.0 HE3 D:LYS39 4.7 18.3 1.0 C C:ILE11 4.8 17.5 1.0 O B:HOH330 4.9 29.7 1.0 O A:HOH350 4.9 28.5 1.0 HB C:ILE11 5.0 20.2 1.0

Sodium binding site 4 out of 4 in the CRABP2 Mutant R30AK31A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of CRABP2 Mutant R30AK31A within 5.0Å range: probe atom residue distance (Å) B Occ D:Na201 b:26.2 occ:1.00 HE D:ARG112 2.4 24.1 1.0 HH21 D:ARG112 2.5 26.7 1.0 O D:HOH368 2.8 43.2 1.0 HD21 D:LEU122 3.0 22.1 1.0 HG12 D:VAL42 3.1 24.6 1.0 HG22 D:VAL42 3.1 22.0 1.0 HH D:TYR135 3.2 27.5 0.0 NE D:ARG112 3.2 23.9 1.0 NH2 D:ARG112 3.3 27.6 1.0 OH D:TYR135 3.4 27.7 1.0 HB2 D:LEU122 3.4 16.5 1.0 HD22 D:LEU120 3.6 20.2 1.0 CZ D:ARG112 3.7 23.3 1.0 HE1 D:TYR135 3.7 21.6 1.0 HD13 D:LEU122 3.7 19.4 1.0 CZ D:TYR135 3.8 21.9 1.0 CE1 D:TYR135 4.0 21.5 1.0 CD2 D:LEU122 4.0 21.8 1.0 CG2 D:VAL42 4.0 22.1 1.0 HH22 D:ARG112 4.0 27.1 1.0 CG1 D:VAL42 4.0 24.8 1.0 CB D:LEU122 4.2 16.2 1.0 HG21 D:VAL42 4.2 22.1 1.0 HG13 D:VAL42 4.3 24.5 1.0 HG22 D:ILE53 4.3 29.5 1.0 HG2 D:ARG112 4.3 21.3 1.0 CD D:ARG112 4.3 22.8 1.0 HD3 D:ARG112 4.3 22.9 1.0 HD23 D:LEU122 4.4 21.8 1.0 HB3 D:LEU122 4.4 16.3 1.0 HD23 D:LEU120 4.4 20.5 1.0 HD12 D:ILE44 4.4 24.1 1.0 CD2 D:LEU120 4.5 20.4 1.0 CG D:LEU122 4.5 17.1 1.0 O D:HOH318 4.5 30.4 1.0 HD22 D:LEU122 4.5 21.4 1.0 CB D:VAL42 4.5 20.1 1.0 CD1 D:LEU122 4.5 18.9 1.0 HB D:VAL42 4.6 20.2 1.0 HG11 D:VAL42 4.7 24.4 1.0 HG23 D:VAL42 4.7 21.6 1.0 CE2 D:TYR135 4.7 20.4 1.0 HD13 D:ILE53 4.8 30.5 1.0 CG D:ARG112 4.8 21.2 1.0 HG23 D:ILE53 4.9 29.0 1.0 CD1 D:TYR135 4.9 18.0 1.0 HG D:LEU120 4.9 19.7 1.0

M.W.Pastok, C.W.E.Tomlinson, N.J.Tatum, A.Basle, M.E.M.Noble, E.Pohl, J.A.Endicott. Structural Requirements For the Specific Binding of CRABP2 to Cyclin D3 To Be Published.