Chlorine in PDB 7jhk: Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form

Enzymatic activity of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form

All present enzymatic activity of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form:
2.4.1.149;

Protein crystallography data

The structure of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form, PDB code: 7jhk was solved by Y.Hao, X.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.18 / 2.34
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 67.416, 80.070, 157.614, 90.00, 98.82, 90.00
R / Rfree (%) 17.9 / 21.7

Other elements in 7jhk:

The structure of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form (pdb code 7jhk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form, PDB code: 7jhk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7jhk

Go back to Chlorine Binding Sites List in 7jhk
Chlorine binding site 1 out of 6 in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:39.9
occ:1.00
 O A:HOH534 3.0 22.2 1.0
N A:ARG157 3.3 22.0 1.0
O A:HOH578 3.4 44.9 1.0
CA A:HIS154 3.5 27.4 1.0
N A:ALA156 3.5 21.8 1.0
CG A:ARG157 3.5 27.1 1.0
CB A:ALA156 3.5 18.4 1.0
C A:HIS154 3.7 24.7 1.0
CA A:ALA156 3.9 19.4 1.0
O B:HOH626 4.0 36.8 1.0
N A:PHE155 4.0 19.2 1.0
CB A:HIS154 4.0 26.3 1.0
C A:ALA156 4.1 25.0 1.0
CB A:ARG157 4.1 24.0 1.0
O A:HIS154 4.1 24.4 1.0
O A:PRO153 4.3 24.4 1.0
CA A:ARG157 4.3 24.8 1.0
CD A:ARG157 4.3 26.4 1.0
NE A:ARG157 4.4 33.0 1.0
CG A:HIS154 4.5 30.2 1.0
C A:PHE155 4.5 25.6 1.0
CD2 A:HIS154 4.5 23.0 1.0
N A:HIS154 4.6 19.8 1.0
C A:PRO153 4.9 21.4 1.0
CA A:PHE155 4.9 23.9 1.0
CG A:PRO380 4.9 31.9 1.0

Chlorine binding site 2 out of 6 in 7jhk

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Chlorine binding site 2 out of 6 in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:69.0
occ:1.00
 NZ A:LYS199 3.9 48.2 1.0
CE A:LYS199 4.4 55.8 1.0
O A:HOH594 4.5 40.3 1.0

Chlorine binding site 3 out of 6 in 7jhk

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Chlorine binding site 3 out of 6 in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:46.4
occ:1.00
 O B:HOH538 3.2 23.0 1.0
CA B:HIS154 3.5 24.5 1.0
O B:HOH615 3.6 35.0 1.0
CG B:ARG157 3.6 19.2 1.0
N B:ARG157 3.6 20.4 1.0
CB B:ALA156 3.7 22.9 1.0
N B:ALA156 3.8 22.6 1.0
C B:HIS154 3.8 20.9 1.0
CB B:HIS154 4.0 19.4 1.0
N B:PHE155 4.1 23.7 1.0
CA B:ALA156 4.1 26.6 1.0
O B:HOH626 4.2 36.8 1.0
CB B:ARG157 4.2 17.6 1.0
CD B:ARG157 4.3 19.7 1.0
CD2 B:HIS154 4.3 21.5 1.0
CG B:HIS154 4.3 29.0 1.0
O B:PRO153 4.3 20.1 1.0
C B:ALA156 4.3 24.3 1.0
O B:HIS154 4.4 27.0 1.0
NE B:ARG157 4.4 31.7 1.0
CA B:ARG157 4.5 16.4 1.0
N B:HIS154 4.6 30.0 1.0
C B:PHE155 4.8 22.2 1.0
C B:PRO153 4.9 26.9 1.0

Chlorine binding site 4 out of 6 in 7jhk

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Chlorine binding site 4 out of 6 in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:39.9
occ:1.00
 O C:HOH594 3.1 44.9 1.0
N C:ARG157 3.4 21.2 1.0
CG C:ARG157 3.5 28.2 1.0
CB C:ALA156 3.6 12.7 1.0
CA C:HIS154 3.7 23.7 1.0
N C:ALA156 3.7 21.0 1.0
C C:HIS154 3.9 21.4 1.0
CA C:ALA156 4.0 24.4 1.0
O C:HOH600 4.0 36.6 1.0
CB C:ARG157 4.1 24.9 1.0
C C:ALA156 4.1 24.2 1.0
CB C:HIS154 4.2 22.8 1.0
N C:PHE155 4.2 19.7 1.0
O C:HIS154 4.3 18.7 1.0
O C:HOH610 4.3 45.6 1.0
CA C:ARG157 4.3 21.1 1.0
NE C:ARG157 4.4 31.5 1.0
CD C:ARG157 4.4 29.2 1.0
O C:PRO153 4.4 20.3 1.0
CG C:HIS154 4.6 25.7 1.0
CD2 C:HIS154 4.6 22.6 1.0
C C:PHE155 4.7 16.6 1.0
N C:HIS154 4.8 19.4 1.0
CG C:PRO380 4.9 23.8 1.0

Chlorine binding site 5 out of 6 in 7jhk

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Chlorine binding site 5 out of 6 in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:36.4
occ:1.00
 N D:ILE73 3.1 33.0 1.0
C D:ASN71 3.3 36.8 1.0
N D:LEU74 3.4 39.2 1.0
CA D:ASN71 3.4 41.7 1.0
N D:PRO72 3.5 34.7 1.0
CB D:ILE73 3.6 33.2 1.0
CD D:PRO72 3.7 31.8 1.0
CA D:ILE73 3.7 39.4 1.0
CB D:ASN71 3.8 41.0 1.0
O D:ASN71 3.9 37.5 1.0
CG1 D:ILE73 4.0 36.0 1.0
C D:ILE73 4.1 32.6 1.0
C D:PRO72 4.1 34.4 1.0
CG D:LEU74 4.2 39.2 1.0
CG D:PRO72 4.3 36.1 1.0
CB D:LEU74 4.3 31.4 1.0
CA D:PRO72 4.3 38.6 1.0
CD1 D:ILE73 4.4 36.3 1.0
CA D:LEU74 4.5 34.4 1.0
N D:ASN71 4.8 40.5 1.0
CD1 D:LEU74 4.8 35.0 1.0
CG2 D:ILE73 4.8 30.5 1.0
CB D:PRO72 5.0 32.0 1.0
CG D:ASN71 5.0 38.8 1.0
O D:TYR70 5.0 32.3 1.0

Chlorine binding site 6 out of 6 in 7jhk

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Chlorine binding site 6 out of 6 in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 in Unliganded Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl403

b:38.7
occ:1.00
 O D:HOH532 3.2 18.7 1.0
N D:ARG157 3.5 16.0 1.0
CB D:ALA156 3.5 21.5 1.0
CA D:HIS154 3.6 20.0 1.0
CG D:ARG157 3.6 16.1 1.0
N D:ALA156 3.6 20.1 1.0
C D:HIS154 3.8 18.4 1.0
CA D:ALA156 4.0 20.3 1.0
O D:HOH590 4.0 43.0 1.0
CB D:HIS154 4.1 15.0 1.0
N D:PHE155 4.1 15.5 1.0
CD D:ARG157 4.1 20.4 1.0
C D:ALA156 4.2 20.8 1.0
O D:HIS154 4.2 20.9 1.0
CB D:ARG157 4.2 23.4 1.0
O D:PRO153 4.3 23.1 1.0
NE D:ARG157 4.4 30.1 1.0
CA D:ARG157 4.4 19.2 1.0
CG D:HIS154 4.5 24.8 1.0
CD2 D:HIS154 4.5 17.8 1.0
C D:PHE155 4.6 19.6 1.0
N D:HIS154 4.7 20.1 1.0
CG D:PRO380 4.9 24.7 1.0
C D:PRO153 5.0 21.8 1.0

Reference:

Y.Hao, A.Crequer-Grandhomme, N.Javier, A.Singh, H.Chen, P.Manzanillo, M.C.Lo, X.Huang. Structures and Mechanism of Human Glycosyltransferase Beta 1,3-N-Acetylglucosaminyltransferase 2 (B3GNT2), An Important Player in Immune Homeostasis. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33158990
DOI: 10.1074/JBC.RA120.015306
Page generated: Mon Jul 29 23:04:50 2024

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