Manganese in PDB 4irp: Crystal Structure of Catalytic Domain of Human BETA1,4- Galactosyltransferase-7 in Open Conformation with Manganses and Udp

All present enzymatic activity of Crystal Structure of Catalytic Domain of Human BETA1,4- Galactosyltransferase-7 in Open Conformation with Manganses and Udp:
2.4.1.133;

The structure of Crystal Structure of Catalytic Domain of Human BETA1,4- Galactosyltransferase-7 in Open Conformation with Manganses and Udp, PDB code: 4irp was solved by Y.Tsutsui, B.Ramakrishnan, P.K.Qasba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.26 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	125.186, 125.186, 87.326, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 27.5

The binding sites of Manganese atom in the Crystal Structure of Catalytic Domain of Human BETA1,4- Galactosyltransferase-7 in Open Conformation with Manganses and Udp (pdb code 4irp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Catalytic Domain of Human BETA1,4- Galactosyltransferase-7 in Open Conformation with Manganses and Udp, PDB code: 4irp:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Catalytic Domain of Human BETA1,4- Galactosyltransferase-7 in Open Conformation with Manganses and Udp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Catalytic Domain of Human BETA1,4- Galactosyltransferase-7 in Open Conformation with Manganses and Udp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:66.5 occ:1.00 O A:HOH653 2.4 43.9 1.0 NE2 A:HIS257 2.4 51.7 1.0 O1A A:UDP401 2.6 54.6 1.0 O1B A:UDP401 2.8 65.0 1.0 OD2 A:ASP165 2.9 41.0 1.0 OD1 A:ASP165 3.0 34.8 1.0 CE1 A:HIS257 3.1 52.6 1.0 CG A:ASP165 3.3 26.7 1.0 CD2 A:HIS257 3.5 52.9 1.0 O A:HOH622 3.8 39.5 1.0 PA A:UDP401 3.9 70.0 1.0 PB A:UDP401 4.0 91.1 1.0 CE1 A:HIS259 4.0 70.1 1.0 O3' A:UDP401 4.2 40.5 1.0 ND1 A:HIS257 4.3 58.9 1.0 O3B A:UDP401 4.3 66.5 1.0 O3A A:UDP401 4.4 81.2 1.0 NE2 A:HIS259 4.5 77.8 1.0 CG A:HIS257 4.5 49.1 1.0 CB A:ASP165 4.7 26.9 1.0 OD2 A:ASP163 4.7 39.2 1.0 O2A A:UDP401 4.8 64.0 1.0 ND1 A:HIS259 4.9 75.7 1.0 C5' A:UDP401 4.9 44.1 1.0 C3' A:UDP401 4.9 43.7 1.0 O5' A:UDP401 5.0 59.1 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Catalytic Domain of Human BETA1,4- Galactosyltransferase-7 in Open Conformation with Manganses and Udp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Catalytic Domain of Human BETA1,4- Galactosyltransferase-7 in Open Conformation with Manganses and Udp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn402 b:64.4 occ:1.00 NE2 B:HIS257 2.3 48.1 1.0 O1B B:UDP401 2.4 63.8 1.0 O B:HOH636 2.5 34.5 1.0 O1A B:UDP401 2.5 53.3 1.0 OD2 B:ASP165 2.7 40.4 1.0 OD1 B:ASP165 2.9 32.7 1.0 CG B:ASP165 3.1 29.4 1.0 CE1 B:HIS257 3.1 50.9 1.0 CD2 B:HIS257 3.5 49.3 1.0 O B:HOH635 3.7 44.0 1.0 PB B:UDP401 3.7 73.9 1.0 PA B:UDP401 3.8 73.5 1.0 O3A B:UDP401 4.1 78.4 1.0 ND1 B:HIS257 4.3 56.9 1.0 O3B B:UDP401 4.4 72.8 1.0 CB B:ASP165 4.4 31.7 1.0 O3' B:UDP401 4.5 50.9 1.0 NH1 B:ARG104 4.5 35.9 0.5 CG B:HIS257 4.5 44.1 1.0 O2A B:UDP401 4.7 55.0 1.0 O2B B:UDP401 4.7 74.0 1.0 OD2 B:ASP163 4.8 40.8 1.0 O5' B:UDP401 4.9 61.7 1.0 C5' B:UDP401 4.9 54.9 1.0

Y.Tsutsui, B.Ramakrishnan, P.K.Qasba. Crystal Structures of Beta-1,4-Galactosyltransferase 7 Enzyme Reveal Conformational Changes and Substrate Binding. J.Biol.Chem. V. 288 31963 2013.
ISSN: ISSN 0021-9258
PubMed: 24052259
DOI: 10.1074/JBC.M113.509984