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Zinc in PDB 6fjj: Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin).

Enzymatic activity of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin).

All present enzymatic activity of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin).:
4.2.1.1;

Protein crystallography data

The structure of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin)., PDB code: 6fjj was solved by S.Z.Fisher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.530, 41.830, 72.700, 90.00, 104.04, 90.00
R / Rfree (%) 20.5 / 23.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin). (pdb code 6fjj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin)., PDB code: 6fjj:

Zinc binding site 1 out of 1 in 6fjj

Go back to Zinc Binding Sites List in 6fjj
Zinc binding site 1 out of 1 in the Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin).


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:4.5
occ:1.00
NE2 A:HIS96 2.0 4.9 1.0
ND1 A:HIS119 2.0 3.7 1.0
NE2 A:HIS94 2.0 4.8 1.0
N9 A:LSA302 2.0 7.6 1.0
CE1 A:HIS119 2.9 3.4 1.0
C7 A:LSA302 2.9 12.0 1.0
CD2 A:HIS96 3.0 4.7 1.0
CD2 A:HIS94 3.0 4.5 1.0
HE1 A:HIS119 3.0 4.0 1.0
CE1 A:HIS96 3.0 4.9 1.0
CE1 A:HIS94 3.0 4.7 1.0
HD2 A:HIS96 3.1 5.6 1.0
CG A:HIS119 3.1 4.5 1.0
HD2 A:HIS94 3.2 5.4 1.0
S10 A:LSA302 3.2 10.3 1.0
HB2 A:HIS119 3.2 3.5 1.0
HE1 A:HIS96 3.2 5.8 1.0
O8 A:LSA302 3.3 14.4 1.0
HE1 A:HIS94 3.3 5.7 1.0
O11 A:LSA302 3.3 11.5 1.0
HG1 A:THR198 3.5 7.2 0.1
CB A:HIS119 3.6 2.9 1.0
DG1 A:THR198 3.7 7.2 0.9
OG1 A:THR198 3.8 6.0 1.0
HB3 A:HIS119 3.8 3.5 1.0
OE1 A:GLU106 4.0 5.5 1.0
O12 A:LSA302 4.0 8.9 1.0
NE2 A:HIS119 4.1 4.0 1.0
CG A:HIS96 4.1 3.5 1.0
ND1 A:HIS96 4.1 6.4 1.0
ND1 A:HIS94 4.1 4.8 1.0
CG A:HIS94 4.2 3.9 1.0
D1 A:DOD428 4.2 31.1 1.0
CD2 A:HIS119 4.2 2.9 1.0
C1 A:LSA302 4.2 16.6 1.0
C6 A:LSA302 4.3 13.2 1.0
HH2 A:TRP208 4.3 8.9 1.0
O A:DOD428 4.8 25.9 1.0
DE2 A:HIS119 4.8 4.7 1.0
HE2 A:HIS119 4.8 4.7 0.0
HG22 A:THR199 4.9 13.2 1.0
HD1 A:HIS96 4.9 7.7 0.0
DD1 A:HIS96 4.9 7.7 1.0
DD1 A:HIS94 4.9 5.8 1.0
HD1 A:HIS94 4.9 5.8 0.0
CD A:GLU106 5.0 6.6 1.0

Reference:

K.Koruza, B.P.Mahon, M.P.Blakeley, A.Ostermann, T.E.Schrader, R.Mckenna, W.Knecht, S.Z.Fisher. Using Neutron Crystallography to Elucidate the Basis of Selective Inhibition of Carbonic Anhydrase By Saccharin and A Derivative. J. Struct. Biol. V. 205 147 2019.
ISSN: ESSN 1095-8657
PubMed: 30639924
DOI: 10.1016/J.JSB.2018.12.009
Page generated: Wed Dec 16 11:48:25 2020

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