Magnesium in PDB 9doc: The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution

The structure of The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution, PDB code: 9doc was solved by P.Samarawickrama, R.Probst, K.Ludlow, T.Doukov, J.D.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.92 / 1.19
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	101.428, 101.428, 49.239, 90, 90, 120
R / Rfree (%)	18.9 / 19.7

The structure of The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution also contains other interesting chemical elements:

Sodium

(Na)

5 atoms

The binding sites of Magnesium atom in the The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution (pdb code 9doc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution, PDB code: 9doc:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in the The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:33.7 occ:1.00 HG1 A:THR169 2.5 34.7 1.0 OD2 A:ASP101 2.6 23.3 1.0 HG21 A:THR169 2.7 31.6 1.0 HG A:SER103 2.7 31.4 1.0 OG A:SER103 2.8 26.1 1.0 OD1 A:ASP199 2.8 29.1 1.0 HG23 A:THR169 2.8 31.6 1.0 HB2 A:SER105 3.0 46.1 1.0 OG1 A:THR169 3.0 28.9 1.0 CG2 A:THR169 3.1 26.4 1.0 HG A:SER105 3.1 56.9 1.0 HG13 A:VAL106 3.1 46.5 1.0 O A:HOH567 3.3 42.2 1.0 OD2 A:ASP199 3.3 34.1 1.0 CG A:ASP199 3.3 29.9 1.0 CG A:ASP101 3.4 21.8 1.0 OD1 A:ASP101 3.4 23.1 1.0 CB A:THR169 3.7 24.0 1.0 HG1 A:THR198 3.7 27.9 1.0 OG A:SER105 3.8 47.4 1.0 CB A:SER105 3.8 38.5 1.0 H A:ASP199 3.8 27.0 1.0 CG1 A:VAL106 3.9 38.8 1.0 CB A:SER103 4.0 23.6 1.0 HG11 A:VAL106 4.0 46.5 1.0 HG22 A:THR169 4.0 31.6 1.0 HB3 A:SER103 4.0 28.3 1.0 HB3 A:SER105 4.2 46.1 1.0 HB A:THR169 4.3 28.8 1.0 HG12 A:VAL106 4.3 46.5 1.0 HB2 A:LYS201 4.3 37.3 1.0 HB2 A:SER103 4.3 28.3 1.0 H A:LYS201 4.4 27.6 1.0 OG1 A:THR198 4.4 23.2 1.0 H A:VAL106 4.6 41.5 1.0 N A:ASP199 4.6 22.5 1.0 HA A:THR169 4.6 26.3 1.0 O A:LYS201 4.6 27.4 1.0 CB A:ASP199 4.6 26.7 1.0 H A:SER105 4.6 33.6 1.0 O A:HOH499 4.7 36.5 1.0 O A:HOH415 4.7 45.1 1.0 H A:SER103 4.8 25.9 1.0 H A:GLY200 4.8 27.2 1.0 CA A:THR169 4.8 21.9 1.0 CB A:ASP101 4.8 20.0 1.0 HB3 A:ASP199 4.8 32.0 1.0 HG22 A:VAL106 4.9 45.7 1.0 N A:VAL106 5.0 34.5 1.0 CA A:SER105 5.0 33.2 1.0 HG21 A:VAL106 5.0 45.7 1.0

Magnesium binding site 2 out of 7 in the The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:54.3 occ:1.00 HB1 A:ALA18 3.2 31.1 1.0 HB3 A:ALA18 4.0 31.1 1.0 CB A:ALA18 4.0 25.9 1.0 HB2 A:ALA18 4.5 31.1 1.0

Magnesium binding site 3 out of 7 in the The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:55.6 occ:1.00 O A:HOH600 2.5 28.8 1.0 HD3 A:ARG69 3.2 34.3 1.0 O A:HOH411 3.6 23.5 1.0 O A:HOH451 3.8 32.1 1.0 O A:HOH643 4.1 44.8 1.0 CD A:ARG69 4.1 28.6 1.0 HD2 A:ARG69 4.4 34.3 1.0 HB3 A:ARG69 4.4 20.5 1.0 HE A:ARG69 4.7 28.9 1.0 O A:HOH578 4.7 18.2 1.0 O A:HOH502 4.8 28.2 1.0 NE A:ARG69 4.8 24.1 1.0 O A:PRO73 5.0 20.5 1.0

Magnesium binding site 4 out of 7 in the The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg307 b:44.1 occ:1.00 O A:HOH553 2.0 45.9 1.0 H A:LEU202 2.3 28.0 1.0 O A:HOH588 2.5 48.7 1.0 O A:GLY200 3.0 27.1 1.0 HG2 A:GLN236 3.0 32.5 1.0 N A:LEU202 3.2 23.3 1.0 HA A:LYS201 3.3 33.4 1.0 HB2 A:LEU202 3.3 26.0 1.0 OE1 A:GLN236 3.4 29.8 1.0 HB2 A:GLN236 3.5 32.4 1.0 HG3 A:GLU233 3.5 42.4 1.0 HG3 A:PRO207 3.5 29.6 1.0 HG A:LEU202 3.5 27.6 1.0 CG A:GLN236 3.8 27.1 1.0 O A:LEU202 3.8 27.4 1.0 CB A:LEU202 3.9 21.7 1.0 CD A:GLN236 4.0 27.8 1.0 CA A:LEU202 4.0 22.5 1.0 CA A:LYS201 4.1 27.8 1.0 C A:GLY200 4.1 27.7 1.0 CB A:GLN236 4.1 27.0 1.0 C A:LYS201 4.1 26.9 1.0 CG A:LEU202 4.2 23.0 1.0 HD12 A:LEU202 4.2 27.3 1.0 O A:HOH631 4.4 47.5 1.0 C A:LEU202 4.4 23.6 1.0 HB3 A:GLN236 4.4 32.4 1.0 CG A:PRO207 4.4 24.7 1.0 CG A:GLU233 4.4 35.3 1.0 HG2 A:PRO207 4.5 29.6 1.0 HB2 A:GLU233 4.5 36.6 1.0 HB3 A:GLU233 4.5 36.6 1.0 N A:LYS201 4.6 23.0 1.0 HG3 A:GLN236 4.6 32.5 1.0 CB A:GLU233 4.7 30.5 1.0 CD1 A:LEU202 4.8 22.7 1.0 HB3 A:PRO207 4.8 29.7 1.0 HB3 A:LEU202 4.8 26.0 1.0 HA A:LEU202 4.9 27.0 1.0 HH21 A:ARG239 5.0 45.1 1.0 CD A:GLU233 5.0 43.9 1.0 O A:HOH559 5.0 46.7 1.0

Magnesium binding site 5 out of 7 in the The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg308 b:53.5 occ:1.00 O A:HOH605 2.5 43.2 1.0 O A:HOH591 2.9 43.2 1.0 O A:ARG15 3.4 25.7 1.0 HE1 A:TRP38 3.5 29.0 1.0 HG2 A:ARG15 3.7 52.4 1.0 HA A:PRO17 3.8 28.0 1.0 HD3 A:ARG15 4.2 52.0 1.0 NE1 A:TRP38 4.2 24.2 1.0 O A:LEU16 4.2 22.0 1.0 C A:LEU16 4.2 22.0 1.0 N A:PRO17 4.2 20.1 1.0 HB3 A:ARG15 4.2 39.6 1.0 C A:ARG15 4.3 25.5 1.0 HD3 A:PRO17 4.3 27.2 1.0 HG3 A:PRO17 4.4 27.8 1.0 CA A:PRO17 4.5 23.4 1.0 CG A:ARG15 4.5 43.7 1.0 HH21 A:ARG21 4.6 49.0 1.0 O A:HOH572 4.6 22.9 1.0 HA A:LEU16 4.7 22.5 1.0 HD1 A:TRP38 4.7 25.9 1.0 CD A:PRO17 4.7 22.7 1.0 CD A:ARG15 4.8 43.3 1.0 CB A:ARG15 4.8 33.0 1.0 CD1 A:TRP38 4.9 21.6 1.0 CA A:LEU16 4.9 18.8 1.0 CG A:PRO17 5.0 23.2 1.0

Magnesium binding site 6 out of 7 in the The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg309 b:40.8 occ:1.00 H31 A:GOL301 2.5 37.7 1.0 OG A:SER28 2.8 17.9 1.0 O A:HOH618 2.8 35.9 1.0 HB3 A:SER28 3.0 20.8 1.0 HG A:SER28 3.2 21.4 1.0 O A:HOH410 3.3 33.0 1.0 CB A:SER28 3.4 17.4 1.0 C3 A:GOL301 3.5 31.4 1.0 OD1 A:ASP31 3.6 18.9 1.0 HB2 A:ASP30 3.7 23.7 1.0 HB2 A:SER28 3.7 20.8 1.0 H32 A:GOL301 3.7 37.7 1.0 OD2 A:ASP31 3.8 19.0 1.0 CG A:ASP31 3.9 18.2 1.0 O2 A:GOL301 3.9 32.2 1.0 O A:HOH401 4.1 50.6 1.0 HO2 A:GOL301 4.1 38.6 1.0 C2 A:GOL301 4.2 30.1 1.0 H A:ASP31 4.2 19.8 1.0 H A:SER28 4.3 19.3 1.0 H2 A:GOL301 4.3 36.1 1.0 HO3 A:GOL301 4.3 35.5 1.0 O3 A:GOL301 4.5 29.6 1.0 CB A:ASP30 4.6 19.8 1.0 O A:HOH447 4.7 38.6 1.0 CA A:SER28 4.7 16.4 1.0 HB3 A:ASP30 4.8 23.7 1.0 N A:ASP31 4.8 16.5 1.0 O A:HOH552 4.8 22.6 1.0 N A:SER28 4.9 16.1 1.0 H A:ASP30 4.9 19.7 1.0

Magnesium binding site 7 out of 7 in the The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of The Von Willebrand Factor A Domain of Human Capillary Morphogenesis Gene II, Flexibly Fused to the 1TEL Crystallization Chaperone, Thr- Val Linker Variant, at 1.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg310 b:50.5 occ:1.00 O A:HOH413 2.4 43.9 1.0 HH11 A:ARG123 2.5 28.9 1.0 O A:HOH622 3.2 47.8 1.0 NH1 A:ARG123 3.3 24.1 1.0 HG21 A:ILE261 3.4 28.1 1.0 HD3 A:ARG123 3.5 27.4 1.0 HH12 A:ARG123 3.5 28.9 1.0 HD2 A:ARG123 3.6 27.4 1.0 HG22 A:ILE261 3.6 28.1 1.0 CD A:ARG123 4.0 22.9 1.0 CG2 A:ILE261 4.0 23.5 1.0 HD13 A:ILE261 4.0 31.5 1.0 O1 A:GOL301 4.1 33.3 1.0 HO1 A:GOL301 4.1 40.0 1.0 O A:HOH549 4.2 25.4 1.0 O A:HOH563 4.3 37.3 1.0 HB A:ILE261 4.3 24.4 1.0 CZ A:ARG123 4.4 23.0 1.0 HD12 A:ILE261 4.5 31.5 1.0 HG3 A:LYS258 4.5 40.5 1.0 NE A:ARG123 4.6 21.7 1.0 HA A:LYS258 4.6 32.2 1.0 OD1 A:ASN262 4.7 28.9 1.0 CD1 A:ILE261 4.7 26.2 1.0 CB A:ILE261 4.7 20.3 1.0 HG23 A:ILE261 4.7 28.1 1.0 HD1 A:TYR26 5.0 26.3 1.0

P.Samarawickrama, K.Ludlow, R.Probst, W.Abiodun, J.Averett, D.Hansen, T.Doukov, J.D.Moody. 1TEL Fusions Outperform 2TEL and 3TEL Fusions in Controlled Comparisons To Be Published.