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Chlorine in PDB 5a7i: Crystal Structure of INPP5B in Complex with Biphenyl 3,3',4, 4',5,5'-Hexakisphosphate

Enzymatic activity of Crystal Structure of INPP5B in Complex with Biphenyl 3,3',4, 4',5,5'-Hexakisphosphate

All present enzymatic activity of Crystal Structure of INPP5B in Complex with Biphenyl 3,3',4, 4',5,5'-Hexakisphosphate:
3.1.3.36;

Protein crystallography data

The structure of Crystal Structure of INPP5B in Complex with Biphenyl 3,3',4, 4',5,5'-Hexakisphosphate, PDB code: 5a7i was solved by L.Tresaugues, S.J.Mills, C.Silvander, G.Cozier, B.V.L.Potter, P.Norldund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.29 / 2.89
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.975, 96.975, 152.142, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 22.324

Other elements in 5a7i:

The structure of Crystal Structure of INPP5B in Complex with Biphenyl 3,3',4, 4',5,5'-Hexakisphosphate also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of INPP5B in Complex with Biphenyl 3,3',4, 4',5,5'-Hexakisphosphate (pdb code 5a7i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of INPP5B in Complex with Biphenyl 3,3',4, 4',5,5'-Hexakisphosphate, PDB code: 5a7i:

Chlorine binding site 1 out of 1 in 5a7i

Go back to Chlorine Binding Sites List in 5a7i
Chlorine binding site 1 out of 1 in the Crystal Structure of INPP5B in Complex with Biphenyl 3,3',4, 4',5,5'-Hexakisphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of INPP5B in Complex with Biphenyl 3,3',4, 4',5,5'-Hexakisphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1577

b:0.3
occ:1.00
 NZ A:LYS338 3.1 73.3 1.0
N A:LEU341 3.3 57.1 1.0
CE A:LYS338 3.5 71.7 1.0
O A:LEU341 3.7 55.3 1.0
CD A:LYS340 3.8 59.0 1.0
CA A:LYS340 4.0 59.1 1.0
C A:LYS340 4.1 57.9 1.0
CA A:LEU341 4.1 56.2 1.0
CB A:LEU341 4.2 57.4 1.0
CE A:LYS340 4.3 58.9 1.0
C A:LEU341 4.4 55.0 1.0
NZ A:LYS340 4.5 60.7 1.0
CG A:LYS340 4.5 57.3 1.0
O A:VAL339 4.8 62.4 1.0
CD A:LYS338 4.8 72.5 1.0
CB A:LYS340 4.8 58.2 1.0
N A:LYS340 5.0 60.8 1.0

Reference:

S.J.Mills, C.Silvander, G.Cozier, L.Tresaugues, P.Nordlund, B.V.L.Potter. Crystal Structures of Type-II Inositol Polyphosphate 5- Phosphatase INPP5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights For the Inositol 5-Phosphatase Family. Biochemistry V. 55 1384 2016.
ISSN: ISSN 0006-2960
PubMed: 26854536
DOI: 10.1021/ACS.BIOCHEM.5B00838
Page generated: Fri Jul 26 04:59:07 2024

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