Zinc in PDB 6uh0: Human Carbonic Anhydrase 2 in Complex with SB4-202

Protein crystallography data

The structure of Human Carbonic Anhydrase 2 in Complex with SB4-202, PDB code: 6uh0 was solved by A.B.Murray, C.L.Lomelino, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.09 / 1.31
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.301, 41.285, 71.913, 90.00, 104.29, 90.00
R / Rfree (%) 14.7 / 16.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase 2 in Complex with SB4-202 (pdb code 6uh0). 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 Human Carbonic Anhydrase 2 in Complex with SB4-202, PDB code: 6uh0:

Zinc binding site 1 out of 1 in 6uh0

Go back to Zinc Binding Sites List in 6uh0
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase 2 in Complex with SB4-202


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase 2 in Complex with SB4-202 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.8
occ:1.00
NE2 A:HIS96 2.0 8.6 1.0
NE2 A:HIS94 2.0 8.3 1.0
N10 A:PX7302 2.0 12.8 1.0
ND1 A:HIS119 2.0 7.7 1.0
C09 A:PX7302 2.7 17.0 1.0
O13 A:PX7302 2.8 15.1 1.0
CE1 A:HIS119 2.9 7.6 1.0
CD2 A:HIS96 3.0 9.0 1.0
CD2 A:HIS94 3.0 8.8 1.0
CE1 A:HIS94 3.0 9.1 1.0
HE1 A:HIS119 3.0 9.1 1.0
CE1 A:HIS96 3.0 8.6 1.0
CG A:HIS119 3.1 7.4 1.0
HD2 A:HIS96 3.2 10.8 1.0
HB2 A:HIS119 3.2 8.7 1.0
HD2 A:HIS94 3.2 10.6 1.0
HE1 A:HIS94 3.2 10.9 1.0
S07 A:PX7302 3.2 13.0 1.0
HE1 A:HIS96 3.3 10.3 1.0
O11 A:PX7302 3.3 13.2 1.0
HG1 A:THR199 3.4 11.1 1.0
CB A:HIS119 3.6 7.2 1.0
HB3 A:HIS119 3.7 8.7 1.0
OG1 A:THR199 3.8 9.2 1.0
OE1 A:GLU106 4.0 9.5 1.0
N08 A:PX7302 4.0 24.2 1.0
NE2 A:HIS119 4.1 9.2 1.0
ND1 A:HIS94 4.1 8.9 1.0
ND1 A:HIS96 4.1 9.0 1.0
O12 A:PX7302 4.2 12.8 1.0
CG A:HIS96 4.2 8.7 1.0
CG A:HIS94 4.2 8.7 1.0
CD2 A:HIS119 4.2 8.0 1.0
HH2 A:TRP209 4.3 11.4 1.0
C06 A:PX7302 4.4 14.4 1.0
C05 A:PX7302 4.7 19.8 1.0
O A:HOH482 4.7 18.4 1.0
HE2 A:HIS119 4.8 11.1 1.0
HD1 A:HIS94 4.9 10.7 1.0
CD A:GLU106 4.9 9.9 1.0
HD1 A:HIS96 4.9 10.8 1.0
H4 A:PX7302 5.0 36.4 1.0

Reference:

S.Bua, C.L.Lomelino, A.B.Murray, S.M.Osman, Z.A.Alothman, M.Bozdag, H.A.A.Aziz, W.M.Eldehna, R.Mckenna, A.Nocentini, C.T.Supuran. "A Sweet Combination": Developing Saccharin and Acesulfame K Structures For Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem. 2019.
ISSN: ISSN 0022-2623
PubMed: 31794211
DOI: 10.1021/ACS.JMEDCHEM.9B01669
Page generated: Wed Dec 16 12:59:08 2020

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