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Potassium in PDB 4dd8: Adam-8 Metalloproteinase Domain with Bound Batimastat

Protein crystallography data

The structure of Adam-8 Metalloproteinase Domain with Bound Batimastat, PDB code: 4dd8 was solved by T.Hall, H.S.Shieh, J.E.Day, N.Caspers, J.E.Chrencik, J.M.Williams, L.E.Pegg, A.M.Pauley, A.F.Moon, J.M.Krahn, D.H.Fischer, J.R.Kiefer, A.G.Tomasselli, M.D.Zack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.74 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 91.600, 50.900, 93.500, 90.00, 102.40, 90.00
R / Rfree (%) 18.8 / 25.5

Other elements in 4dd8:

The structure of Adam-8 Metalloproteinase Domain with Bound Batimastat also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Calcium (Ca) 4 atoms
Chlorine (Cl) 4 atoms
Sodium (Na) 8 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Adam-8 Metalloproteinase Domain with Bound Batimastat (pdb code 4dd8). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Adam-8 Metalloproteinase Domain with Bound Batimastat, PDB code: 4dd8:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 4dd8

Go back to Potassium Binding Sites List in 4dd8
Potassium binding site 1 out of 2 in the Adam-8 Metalloproteinase Domain with Bound Batimastat


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Adam-8 Metalloproteinase Domain with Bound Batimastat within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1006

b:30.8
occ:1.00
O A:HOH1107 2.8 14.1 1.0
O A:HOH1120 2.8 18.1 1.0
O A:HOH1111 3.5 20.2 1.0
CG A:ARG374 3.9 17.7 1.0
CG1 A:VAL326 4.0 22.0 1.0
CD A:ARG374 4.2 17.9 1.0
CE1 A:HIS232 4.4 12.0 1.0
NE2 A:HIS232 4.4 14.4 1.0
CB A:PHE372 4.6 14.2 1.0
O A:PHE372 4.6 19.7 1.0
O A:PRO373 4.8 16.8 1.0
CG2 A:VAL326 4.8 20.0 1.0
CB A:VAL326 5.0 19.1 1.0

Potassium binding site 2 out of 2 in 4dd8

Go back to Potassium Binding Sites List in 4dd8
Potassium binding site 2 out of 2 in the Adam-8 Metalloproteinase Domain with Bound Batimastat


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Adam-8 Metalloproteinase Domain with Bound Batimastat within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1007

b:36.4
occ:1.00
O A:ASP343 2.6 18.2 1.0
O A:HOH1109 2.7 15.9 1.0
OD1 A:ASP345 3.4 20.0 1.0
C A:ASP343 3.5 16.5 1.0
OG A:SER380 3.5 14.6 1.0
N A:ASP343 3.8 15.4 1.0
N A:SER380 3.8 19.0 1.0
CB A:MET364 3.9 15.3 1.0
CA A:SER380 3.9 13.6 1.0
C A:HIS344 4.0 19.4 1.0
N A:ASP345 4.0 15.0 1.0
SG A:CYS379 4.0 42.8 1.0
O A:HIS344 4.2 14.3 1.0
CA A:ASP343 4.2 11.8 1.0
CA A:ASP345 4.3 19.1 1.0
C A:CYS379 4.3 17.6 1.0
CG A:MET364 4.3 14.3 1.0
OG A:SER377 4.3 18.5 1.0
CB A:SER380 4.3 15.8 1.0
N A:HIS344 4.3 19.3 1.0
CG A:ASP345 4.3 23.1 1.0
CA A:HIS344 4.4 20.8 1.0
CB A:CYS379 4.5 17.4 1.0
CB A:MET342 4.5 15.2 1.0
O A:CYS379 4.5 16.2 1.0
CB A:ASP343 4.6 17.4 1.0
C A:MET342 4.7 11.4 1.0
CG2 A:VAL348 4.8 14.7 1.0
CA A:MET342 4.8 10.1 1.0
CB A:ASP345 5.0 26.5 1.0
O A:HOH1110 5.0 13.5 1.0

Reference:

T.Hall, H.S.Shieh, J.E.Day, N.Caspers, J.E.Chrencik, J.M.Williams, L.E.Pegg, A.M.Pauley, A.F.Moon, J.M.Krahn, D.H.Fischer, J.R.Kiefer, A.G.Tomasselli, M.D.Zack. Structure of Human Adam-8 Catalytic Domain Complexed with Batimastat. Acta Crystallogr.,Sect.F V. 68 616 2012.
ISSN: ESSN 1744-3091
PubMed: 22684055
DOI: 10.1107/S1744309112015618
Page generated: Sun Dec 13 23:29:59 2020

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