Magnesium in PDB 6x1q: 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope

Enzymatic activity of 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope

Other elements in 6x1q:

Magnesium Binding Sites:

Magnesium binding site 1 out of 8 in 6x1q

Magnesium Binding Sites List in 6x1q

Magnesium binding site 1 out of 8 in the 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1101 b:4.1 occ:1.00 OE1 A:GLU461 1.9 4.0 1.0 OE2 A:GLU416 1.9 3.6 1.0 O A:HOH1342 2.1 5.1 1.0 O A:HOH1225 2.1 5.3 1.0 O A:HOH1324 2.1 4.3 1.0 ND1 A:HIS418 2.3 5.1 1.0 CD A:GLU461 3.0 4.0 1.0 HB2 A:HIS418 3.1 5.1 1.0 CD A:GLU416 3.1 3.6 1.0 CE1 A:HIS418 3.2 5.1 1.0 CG A:HIS418 3.3 5.1 1.0 HE1 A:HIS418 3.3 5.1 1.0 HB2 A:ASP201 3.5 6.1 1.0 HB2 A:GLU461 3.6 4.0 1.0 CB A:HIS418 3.6 5.1 1.0 OE2 A:GLU461 3.6 4.0 1.0 HB3 A:HIS418 3.6 5.1 1.0 OE1 A:GLU416 3.7 3.6 1.0 H A:ASP201 3.8 6.1 1.0 HG21 A:VAL103 3.9 7.0 1.0 HD22 A:ASN460 3.9 2.9 1.0 HB3 A:GLU461 4.0 4.0 1.0 HD21 A:ASN460 4.0 2.9 1.0 OD1 A:ASN102 4.0 8.0 1.0 CB A:GLU461 4.0 4.0 1.0 CG A:GLU461 4.0 4.0 1.0 HA A:GLN200 4.1 4.5 1.0 O A:ASP199 4.2 4.7 1.0 O A:ASN102 4.2 8.0 1.0 N A:ASP201 4.3 6.1 1.0 CG A:GLU416 4.3 3.6 1.0 ND2 A:ASN460 4.3 2.9 1.0 CB A:ASP201 4.3 6.1 1.0 HG2 A:GLU416 4.3 3.6 1.0 NE2 A:HIS418 4.3 5.1 1.0 CD2 A:HIS418 4.4 5.1 1.0 O A:HOH1339 4.4 4.6 1.0 O A:HOH1719 4.4 10.5 1.0 HG3 A:GLU416 4.4 3.6 1.0 HB3 A:ASP201 4.4 6.1 1.0 O A:HOH1259 4.5 4.4 1.0 HG3 A:GLU461 4.5 4.0 1.0 HA A:VAL103 4.5 7.0 1.0 O A:HOH1535 4.7 9.5 1.0 HG2 A:GLU461 4.8 4.0 1.0 CA A:ASP201 4.8 6.1 1.0 CG2 A:VAL103 4.8 7.0 1.0 C A:GLN200 4.9 4.5 1.0 CA A:GLN200 4.9 4.5 1.0

Magnesium binding site 2 out of 8 in 6x1q

Magnesium Binding Sites List in 6x1q

Magnesium binding site 2 out of 8 in the 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:7.7 occ:1.00 O A:VAL21 2.1 6.6 1.0 O A:ASP15 2.2 8.6 1.0 O A:ASN18 2.3 7.4 1.0 OE1 A:GLN163 2.3 5.5 1.0 OD1 A:ASP193 2.5 6.4 1.0 OD2 A:ASP193 2.9 6.4 1.0 H A:ASN18 3.0 7.4 1.0 CG A:ASP193 3.0 6.4 1.0 C A:ASN18 3.2 7.4 1.0 CD A:GLN163 3.2 5.5 1.0 HE21 A:GLN163 3.2 5.5 1.0 C A:VAL21 3.3 6.6 1.0 HA A:TRP16 3.4 8.2 1.0 C A:ASP15 3.4 8.6 1.0 HE2 A:TYR161 3.5 6.0 1.0 HB A:VAL21 3.6 6.6 1.0 NE2 A:GLN163 3.6 5.5 1.0 H A:VAL21 3.7 6.6 1.0 HA A:THR22 3.7 5.6 1.0 N A:ASN18 3.7 7.4 1.0 HA A:PRO19 3.7 6.2 1.0 OH A:TYR161 3.7 6.0 1.0 HB3 A:ASN18 3.8 7.4 1.0 CA A:ASN18 3.9 7.4 1.0 CA A:TRP16 4.1 8.2 1.0 CA A:VAL21 4.1 6.6 1.0 N A:PRO19 4.1 6.2 1.0 N A:TRP16 4.2 8.2 1.0 CE2 A:TYR161 4.2 6.0 1.0 N A:THR22 4.2 5.6 1.0 HG11 A:VAL21 4.2 6.6 1.0 N A:VAL21 4.3 6.6 1.0 CB A:VAL21 4.3 6.6 1.0 HB3 A:ASP15 4.3 8.6 1.0 CA A:PRO19 4.3 6.2 1.0 C A:TRP16 4.3 8.2 1.0 CB A:ASN18 4.3 7.4 1.0 HH A:TYR161 4.4 6.0 0.0 HE22 A:GLN163 4.4 5.5 1.0 HA A:ASP15 4.4 8.6 1.0 CA A:THR22 4.4 5.6 1.0 CZ A:TYR161 4.4 6.0 1.0 CB A:ASP193 4.5 6.4 1.0 CA A:ASP15 4.5 8.6 1.0 HG3 A:GLN163 4.5 5.5 1.0 N A:GLU17 4.5 8.9 1.0 CG A:GLN163 4.5 5.5 1.0 H A:ASP193 4.6 6.4 1.0 H A:GLU17 4.6 8.9 1.0 HB3 A:ASP193 4.6 6.4 1.0 CG1 A:VAL21 4.8 6.6 1.0 HA A:ASN18 4.8 7.4 1.0 C A:PRO19 4.8 6.2 1.0 HB2 A:ASP193 4.9 6.4 1.0 CB A:ASP15 4.9 8.6 1.0 O A:TRP16 4.9 8.2 1.0 C A:GLU17 4.9 8.9 1.0 HG21 A:THR22 4.9 5.6 1.0 HB2 A:SER192 4.9 6.3 1.0 HG23 A:THR22 5.0 5.6 1.0 HG2 A:GLN163 5.0 5.5 1.0

Magnesium binding site 3 out of 8 in 6x1q

Magnesium Binding Sites List in 6x1q

Magnesium binding site 3 out of 8 in the 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1101 b:4.1 occ:1.00 OE1 B:GLU461 1.9 4.0 1.0 OE2 B:GLU416 1.9 3.6 1.0 O B:HOH1334 2.1 5.1 1.0 O B:HOH1225 2.1 5.2 1.0 O B:HOH1318 2.1 4.3 1.0 ND1 B:HIS418 2.3 5.1 1.0 CD B:GLU461 3.0 4.0 1.0 HB2 B:HIS418 3.1 5.1 1.0 CD B:GLU416 3.1 3.6 1.0 CE1 B:HIS418 3.2 5.1 1.0 CG B:HIS418 3.3 5.1 1.0 HE1 B:HIS418 3.3 5.1 1.0 HB2 B:ASP201 3.5 6.1 1.0 HB2 B:GLU461 3.6 4.0 1.0 CB B:HIS418 3.6 5.1 1.0 OE2 B:GLU461 3.6 4.0 1.0 HB3 B:HIS418 3.6 5.1 1.0 OE1 B:GLU416 3.7 3.6 1.0 H B:ASP201 3.8 6.1 1.0 HG21 B:VAL103 3.9 7.0 1.0 HD22 B:ASN460 3.9 2.9 1.0 HB3 B:GLU461 4.0 4.0 1.0 HD21 B:ASN460 4.0 2.9 1.0 OD1 B:ASN102 4.0 8.0 1.0 CB B:GLU461 4.0 4.0 1.0 CG B:GLU461 4.0 4.0 1.0 HA B:GLN200 4.1 4.5 1.0 O B:ASP199 4.2 4.7 1.0 O B:ASN102 4.2 8.0 1.0 O B:HOH1679 4.3 10.7 1.0 N B:ASP201 4.3 6.1 1.0 CG B:GLU416 4.3 3.6 1.0 ND2 B:ASN460 4.3 2.9 1.0 CB B:ASP201 4.3 6.1 1.0 HG2 B:GLU416 4.3 3.6 1.0 NE2 B:HIS418 4.3 5.1 1.0 O B:HOH1511 4.3 4.5 1.0 CD2 B:HIS418 4.4 5.1 1.0 O B:HOH1250 4.4 4.2 1.0 HG3 B:GLU416 4.4 3.6 1.0 HB3 B:ASP201 4.4 6.1 1.0 HG3 B:GLU461 4.5 4.0 1.0 HA B:VAL103 4.5 7.0 1.0 HG2 B:GLU461 4.8 4.0 1.0 O B:HOH1356 4.8 8.2 1.0 CA B:ASP201 4.8 6.1 1.0 CG2 B:VAL103 4.8 7.0 1.0 C B:GLN200 4.9 4.5 1.0 CA B:GLN200 4.9 4.5 1.0

Magnesium binding site 4 out of 8 in 6x1q

Magnesium Binding Sites List in 6x1q

Magnesium binding site 4 out of 8 in the 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1102 b:7.7 occ:1.00 O B:VAL21 2.1 6.6 1.0 O B:ASP15 2.2 8.6 1.0 O B:ASN18 2.3 7.4 1.0 OE1 B:GLN163 2.3 5.5 1.0 OD1 B:ASP193 2.5 6.4 1.0 OD2 B:ASP193 2.9 6.4 1.0 H B:ASN18 3.0 7.4 1.0 CG B:ASP193 3.0 6.4 1.0 C B:ASN18 3.2 7.4 1.0 CD B:GLN163 3.2 5.5 1.0 HE21 B:GLN163 3.2 5.5 1.0 C B:VAL21 3.3 6.6 1.0 HA B:TRP16 3.4 8.2 1.0 C B:ASP15 3.4 8.6 1.0 HE2 B:TYR161 3.5 6.0 1.0 HB B:VAL21 3.6 6.6 1.0 NE2 B:GLN163 3.6 5.5 1.0 H B:VAL21 3.7 6.6 1.0 HA B:THR22 3.7 5.6 1.0 N B:ASN18 3.7 7.4 1.0 HA B:PRO19 3.7 6.2 1.0 OH B:TYR161 3.7 6.0 1.0 HB3 B:ASN18 3.8 7.4 1.0 CA B:ASN18 3.9 7.4 1.0 CA B:TRP16 4.1 8.2 1.0 CA B:VAL21 4.1 6.6 1.0 N B:PRO19 4.1 6.2 1.0 N B:TRP16 4.2 8.2 1.0 CE2 B:TYR161 4.2 6.0 1.0 N B:THR22 4.2 5.6 1.0 HG11 B:VAL21 4.2 6.6 1.0 N B:VAL21 4.3 6.6 1.0 CB B:VAL21 4.3 6.6 1.0 HB3 B:ASP15 4.3 8.6 1.0 CA B:PRO19 4.3 6.2 1.0 C B:TRP16 4.3 8.2 1.0 CB B:ASN18 4.3 7.4 1.0 HH B:TYR161 4.4 6.0 0.0 HE22 B:GLN163 4.4 5.5 1.0 HA B:ASP15 4.4 8.6 1.0 CA B:THR22 4.4 5.6 1.0 CZ B:TYR161 4.4 6.0 1.0 CB B:ASP193 4.5 6.4 1.0 CA B:ASP15 4.5 8.6 1.0 HG3 B:GLN163 4.5 5.5 1.0 N B:GLU17 4.5 8.9 1.0 CG B:GLN163 4.5 5.5 1.0 H B:ASP193 4.6 6.4 1.0 H B:GLU17 4.6 8.9 1.0 HB3 B:ASP193 4.6 6.4 1.0 CG1 B:VAL21 4.8 6.6 1.0 HA B:ASN18 4.8 7.4 1.0 C B:PRO19 4.8 6.2 1.0 HB2 B:ASP193 4.9 6.4 1.0 CB B:ASP15 4.9 8.6 1.0 O B:TRP16 4.9 8.2 1.0 C B:GLU17 4.9 8.9 1.0 HG21 B:THR22 4.9 5.6 1.0 HB2 B:SER192 4.9 6.3 1.0 HG23 B:THR22 5.0 5.6 1.0 HG2 B:GLN163 5.0 5.5 1.0

Magnesium binding site 5 out of 8 in 6x1q

Magnesium Binding Sites List in 6x1q

Magnesium binding site 5 out of 8 in the 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1101 b:4.1 occ:1.00 OE1 C:GLU461 1.9 4.0 1.0 OE2 C:GLU416 1.9 3.6 1.0 O C:HOH1334 2.1 5.0 1.0 O C:HOH1225 2.1 5.2 1.0 O C:HOH1320 2.1 4.3 1.0 ND1 C:HIS418 2.3 5.1 1.0 CD C:GLU461 3.0 4.0 1.0 HB2 C:HIS418 3.1 5.1 1.0 CD C:GLU416 3.1 3.6 1.0 CE1 C:HIS418 3.2 5.1 1.0 CG C:HIS418 3.3 5.1 1.0 HE1 C:HIS418 3.3 5.1 1.0 HB2 C:ASP201 3.5 6.1 1.0 HB2 C:GLU461 3.6 4.0 1.0 CB C:HIS418 3.6 5.1 1.0 OE2 C:GLU461 3.6 4.0 1.0 HB3 C:HIS418 3.6 5.1 1.0 OE1 C:GLU416 3.7 3.6 1.0 H C:ASP201 3.8 6.1 1.0 HG21 C:VAL103 3.9 7.0 1.0 HD22 C:ASN460 3.9 2.9 1.0 HB3 C:GLU461 4.0 4.0 1.0 HD21 C:ASN460 4.0 2.9 1.0 OD1 C:ASN102 4.0 8.0 1.0 CB C:GLU461 4.0 4.0 1.0 CG C:GLU461 4.0 4.0 1.0 HA C:GLN200 4.1 4.5 1.0 O C:ASP199 4.2 4.7 1.0 O C:ASN102 4.2 8.0 1.0 O C:HOH1681 4.3 10.5 1.0 N C:ASP201 4.3 6.1 1.0 CG C:GLU416 4.3 3.6 1.0 ND2 C:ASN460 4.3 2.9 1.0 CB C:ASP201 4.3 6.1 1.0 HG2 C:GLU416 4.3 3.6 1.0 NE2 C:HIS418 4.3 5.1 1.0 O C:HOH1509 4.3 4.5 1.0 CD2 C:HIS418 4.4 5.1 1.0 O C:HOH1249 4.4 4.1 1.0 HG3 C:GLU416 4.4 3.6 1.0 HB3 C:ASP201 4.4 6.1 1.0 HG3 C:GLU461 4.5 4.0 1.0 HA C:VAL103 4.5 7.0 1.0 HG2 C:GLU461 4.8 4.0 1.0 O C:HOH1357 4.8 8.1 1.0 CA C:ASP201 4.8 6.1 1.0 CG2 C:VAL103 4.8 7.0 1.0 C C:GLN200 4.9 4.5 1.0 CA C:GLN200 4.9 4.5 1.0

Magnesium binding site 6 out of 8 in 6x1q

Magnesium Binding Sites List in 6x1q

Magnesium binding site 6 out of 8 in the 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1102 b:7.7 occ:1.00 O C:VAL21 2.1 6.6 1.0 O C:ASP15 2.2 8.6 1.0 O C:ASN18 2.3 7.4 1.0 OE1 C:GLN163 2.3 5.5 1.0 OD1 C:ASP193 2.5 6.4 1.0 OD2 C:ASP193 2.9 6.4 1.0 H C:ASN18 3.0 7.4 1.0 CG C:ASP193 3.0 6.4 1.0 C C:ASN18 3.2 7.4 1.0 CD C:GLN163 3.2 5.5 1.0 HE21 C:GLN163 3.2 5.5 1.0 C C:VAL21 3.3 6.6 1.0 HA C:TRP16 3.4 8.2 1.0 C C:ASP15 3.4 8.6 1.0 HE2 C:TYR161 3.5 6.0 1.0 HB C:VAL21 3.6 6.6 1.0 NE2 C:GLN163 3.6 5.5 1.0 H C:VAL21 3.7 6.6 1.0 HA C:THR22 3.7 5.6 1.0 N C:ASN18 3.7 7.4 1.0 HA C:PRO19 3.7 6.2 1.0 OH C:TYR161 3.7 6.0 1.0 HB3 C:ASN18 3.8 7.4 1.0 CA C:ASN18 3.9 7.4 1.0 CA C:TRP16 4.1 8.2 1.0 CA C:VAL21 4.1 6.6 1.0 N C:PRO19 4.1 6.2 1.0 N C:TRP16 4.2 8.2 1.0 CE2 C:TYR161 4.2 6.0 1.0 N C:THR22 4.2 5.6 1.0 HG11 C:VAL21 4.2 6.6 1.0 N C:VAL21 4.3 6.6 1.0 CB C:VAL21 4.3 6.6 1.0 HB3 C:ASP15 4.3 8.6 1.0 CA C:PRO19 4.3 6.2 1.0 C C:TRP16 4.3 8.2 1.0 CB C:ASN18 4.3 7.4 1.0 HH C:TYR161 4.4 6.0 0.0 HE22 C:GLN163 4.4 5.5 1.0 HA C:ASP15 4.4 8.6 1.0 CA C:THR22 4.4 5.6 1.0 CZ C:TYR161 4.4 6.0 1.0 CB C:ASP193 4.5 6.4 1.0 CA C:ASP15 4.5 8.6 1.0 HG3 C:GLN163 4.5 5.5 1.0 N C:GLU17 4.5 8.9 1.0 CG C:GLN163 4.5 5.5 1.0 H C:ASP193 4.6 6.4 1.0 H C:GLU17 4.6 8.9 1.0 HB3 C:ASP193 4.6 6.4 1.0 CG1 C:VAL21 4.8 6.6 1.0 HA C:ASN18 4.8 7.4 1.0 C C:PRO19 4.8 6.2 1.0 HB2 C:ASP193 4.9 6.4 1.0 CB C:ASP15 4.9 8.6 1.0 O C:TRP16 4.9 8.2 1.0 C C:GLU17 4.9 8.9 1.0 HG21 C:THR22 4.9 5.6 1.0 HB2 C:SER192 4.9 6.3 1.0 HG23 C:THR22 5.0 5.6 1.0 HG2 C:GLN163 5.0 5.5 1.0

Magnesium binding site 7 out of 8 in 6x1q

Magnesium Binding Sites List in 6x1q

Magnesium binding site 7 out of 8 in the 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1101 b:4.1 occ:1.00 OE1 D:GLU461 1.9 4.0 1.0 OE2 D:GLU416 1.9 3.6 1.0 O D:HOH1333 2.1 5.0 1.0 O D:HOH1224 2.1 5.3 1.0 O D:HOH1318 2.1 4.4 1.0 ND1 D:HIS418 2.3 5.1 1.0 CD D:GLU461 3.0 4.0 1.0 HB2 D:HIS418 3.1 5.1 1.0 CD D:GLU416 3.1 3.6 1.0 CE1 D:HIS418 3.2 5.1 1.0 CG D:HIS418 3.3 5.1 1.0 HE1 D:HIS418 3.3 5.1 1.0 HB2 D:ASP201 3.5 6.1 1.0 HB2 D:GLU461 3.6 4.0 1.0 CB D:HIS418 3.6 5.1 1.0 OE2 D:GLU461 3.6 4.0 1.0 HB3 D:HIS418 3.6 5.1 1.0 OE1 D:GLU416 3.7 3.6 1.0 H D:ASP201 3.8 6.1 1.0 HG21 D:VAL103 3.9 7.0 1.0 HD22 D:ASN460 3.9 2.9 1.0 HB3 D:GLU461 4.0 4.0 1.0 HD21 D:ASN460 4.0 2.9 1.0 OD1 D:ASN102 4.0 8.0 1.0 CB D:GLU461 4.0 4.0 1.0 CG D:GLU461 4.0 4.0 1.0 HA D:GLN200 4.1 4.5 1.0 O D:ASP199 4.2 4.7 1.0 O D:ASN102 4.2 8.0 1.0 N D:ASP201 4.3 6.1 1.0 O D:HOH1682 4.3 10.2 1.0 CG D:GLU416 4.3 3.6 1.0 ND2 D:ASN460 4.3 2.9 1.0 CB D:ASP201 4.3 6.1 1.0 HG2 D:GLU416 4.3 3.6 1.0 NE2 D:HIS418 4.3 5.1 1.0 O D:HOH1508 4.3 4.8 1.0 CD2 D:HIS418 4.4 5.1 1.0 O D:HOH1250 4.4 4.5 1.0 HG3 D:GLU416 4.4 3.6 1.0 HB3 D:ASP201 4.4 6.1 1.0 HG3 D:GLU461 4.5 4.0 1.0 HA D:VAL103 4.5 7.0 1.0 HG2 D:GLU461 4.8 4.0 1.0 CA D:ASP201 4.8 6.1 1.0 O D:HOH1356 4.8 8.2 1.0 CG2 D:VAL103 4.8 7.0 1.0 C D:GLN200 4.9 4.5 1.0 CA D:GLN200 4.9 4.5 1.0

Magnesium binding site 8 out of 8 in 6x1q

Magnesium Binding Sites List in 6x1q

Magnesium binding site 8 out of 8 in the 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of 1.8 Angstrom Resolution Structure of B-Galactosidase with A 200 Kv Cryoarm Electron Microscope within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1102 b:7.7 occ:1.00 O D:VAL21 2.1 6.6 1.0 O D:ASP15 2.2 8.6 1.0 O D:ASN18 2.3 7.4 1.0 OE1 D:GLN163 2.3 5.5 1.0 OD1 D:ASP193 2.5 6.4 1.0 OD2 D:ASP193 2.9 6.4 1.0 H D:ASN18 3.0 7.4 1.0 CG D:ASP193 3.0 6.4 1.0 C D:ASN18 3.2 7.4 1.0 CD D:GLN163 3.2 5.5 1.0 HE21 D:GLN163 3.2 5.5 1.0 C D:VAL21 3.3 6.6 1.0 HA D:TRP16 3.4 8.2 1.0 C D:ASP15 3.4 8.6 1.0 HE2 D:TYR161 3.5 6.0 1.0 HB D:VAL21 3.6 6.6 1.0 NE2 D:GLN163 3.6 5.5 1.0 H D:VAL21 3.7 6.6 1.0 HA D:THR22 3.7 5.6 1.0 N D:ASN18 3.7 7.4 1.0 HA D:PRO19 3.7 6.2 1.0 OH D:TYR161 3.7 6.0 1.0 HB3 D:ASN18 3.8 7.4 1.0 CA D:ASN18 3.9 7.4 1.0 CA D:TRP16 4.1 8.2 1.0 CA D:VAL21 4.1 6.6 1.0 N D:PRO19 4.1 6.2 1.0 N D:TRP16 4.2 8.2 1.0 CE2 D:TYR161 4.2 6.0 1.0 N D:THR22 4.2 5.6 1.0 HG11 D:VAL21 4.2 6.6 1.0 N D:VAL21 4.3 6.6 1.0 CB D:VAL21 4.3 6.6 1.0 HB3 D:ASP15 4.3 8.6 1.0 CA D:PRO19 4.3 6.2 1.0 C D:TRP16 4.3 8.2 1.0 CB D:ASN18 4.3 7.4 1.0 HH D:TYR161 4.4 6.0 0.0 HE22 D:GLN163 4.4 5.5 1.0 HA D:ASP15 4.4 8.6 1.0 CA D:THR22 4.4 5.6 1.0 CZ D:TYR161 4.4 6.0 1.0 CB D:ASP193 4.5 6.4 1.0 CA D:ASP15 4.5 8.6 1.0 HG3 D:GLN163 4.5 5.5 1.0 N D:GLU17 4.5 8.9 1.0 CG D:GLN163 4.5 5.5 1.0 H D:ASP193 4.6 6.4 1.0 H D:GLU17 4.6 8.9 1.0 HB3 D:ASP193 4.6 6.4 1.0 CG1 D:VAL21 4.8 6.6 1.0 HA D:ASN18 4.8 7.4 1.0 C D:PRO19 4.8 6.2 1.0 HB2 D:ASP193 4.9 6.4 1.0 CB D:ASP15 4.9 8.6 1.0 O D:TRP16 4.9 8.2 1.0 C D:GLU17 4.9 8.9 1.0 HG21 D:THR22 4.9 5.6 1.0 HB2 D:SER192 4.9 6.3 1.0 HG23 D:THR22 5.0 5.6 1.0 HG2 D:GLN163 5.0 5.5 1.0

Reference: