Tungsten in PDB 2hhl: Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1

The structure of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1, PDB code: 2hhl was solved by V.N.Malashkevich, R.Toro, U.Ramagopal, J.M.Sauder, K.D.Schwinn, D.A.Thompson, M.E.Rutter, M.Dickey, C.Groshong, K.T.Bain, J.M.Adams, C.Reyes, I.Rooney, A.Powell, A.Boice, T.Gheyi, S.Ozyurt, S.Atwell, S.R.Wasserman, S.Emtage, S.K.Burley, S.C.Almo, New York Sgx Researchcenter For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.86 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.419, 49.857, 179.747, 90.00, 96.90, 90.00
R / Rfree (%)	18.8 / 25.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Tungsten atom in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 (pdb code 2hhl). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 36 binding sites of Tungsten where determined in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1, PDB code: 2hhl:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:50.9 occ:0.50 W1 A:KEG902 0.0 50.9 0.5 O45 A:KEG902 2.2 52.4 0.5 O5 A:KEG902 2.2 49.0 0.5 O7 A:KEG902 2.2 51.8 0.5 O1 A:KEG902 2.2 52.5 0.5 O8 A:KEG902 2.2 50.5 0.5 O13 A:KEG902 2.2 51.7 0.5 O42 A:KEG902 2.9 53.6 0.5 W4 A:KEG902 3.3 49.1 0.5 W2 A:KEG902 3.5 41.5 0.5 W5 A:KEG902 3.6 46.6 0.5 W3 A:KEG902 3.6 57.2 0.5 O43 A:KEG902 3.9 50.9 0.5 P1 A:KEG902 3.9 55.6 0.5 O2 A:KEG902 4.1 48.5 0.5 O6 A:KEG902 4.1 52.2 0.5 CB A:SER43 4.2 26.6 1.0 CD2 A:PHE44 4.3 36.7 1.0 O46 A:KEG902 4.3 55.8 0.5 N A:PHE44 4.6 28.7 1.0 CB A:LYS45 4.6 29.9 1.0 O44 A:KEG902 4.6 57.8 0.5 O14 A:KEG902 4.7 51.5 0.5 N A:LYS45 4.7 28.1 1.0 O17 A:KEG902 4.7 46.1 0.5 O12 A:KEG902 4.8 56.5 0.5 O9 A:KEG902 4.8 49.1 0.5 W9 A:KEG902 4.9 60.9 0.5 O28 A:KEG902 4.9 54.1 0.5 CE2 A:PHE44 5.0 39.0 1.0

Tungsten binding site 2 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:41.5 occ:0.50 W2 A:KEG902 0.0 41.5 0.5 O14 A:KEG902 2.0 51.5 0.5 O5 A:KEG902 2.1 49.0 0.5 O6 A:KEG902 2.2 52.2 0.5 O9 A:KEG902 2.2 49.1 0.5 O2 A:KEG902 2.2 48.5 0.5 O10 A:KEG902 2.2 50.0 0.5 W6 A:KEG902 3.4 49.7 0.5 W1 A:KEG902 3.5 50.9 0.5 W7 A:KEG902 3.5 51.9 0.5 P1 A:KEG902 3.6 55.6 0.5 W3 A:KEG902 3.7 57.2 0.5 O18 A:KEG902 3.8 54.7 0.5 O45 A:KEG902 3.9 52.4 0.5 O13 A:KEG902 3.9 51.7 0.5 O23 A:KEG902 4.0 49.6 0.5 O1 A:KEG902 4.0 52.5 0.5 O17 A:KEG902 4.3 46.1 0.5 O8 A:KEG902 4.3 50.5 0.5 O44 A:KEG902 4.4 57.8 0.5 O46 A:KEG902 4.5 55.8 0.5 CE2 A:PHE44 4.6 39.0 1.0 O42 A:KEG902 4.8 53.6 0.5 CD2 A:PHE44 4.8 36.7 1.0 O11 A:KEG902 4.9 56.9 0.5 W5 A:KEG902 4.9 46.6 0.5

Tungsten binding site 3 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:57.2 occ:0.50 W3 A:KEG902 0.0 57.2 0.5 O44 A:KEG902 1.9 57.8 0.5 O45 A:KEG902 2.1 52.4 0.5 O6 A:KEG902 2.2 52.2 0.5 O46 A:KEG902 2.2 55.8 0.5 O12 A:KEG902 2.3 56.5 0.5 O11 A:KEG902 2.3 56.9 0.5 O42 A:KEG902 2.8 53.6 0.5 W9 A:KEG902 3.2 60.9 0.5 W8 A:KEG902 3.5 60.7 0.5 W1 A:KEG902 3.6 50.9 0.5 O18 A:KEG902 3.6 54.7 0.5 W2 A:KEG902 3.7 41.5 0.5 O26 A:KEG902 3.9 57.9 0.5 O1 A:KEG902 4.2 52.5 0.5 P1 A:KEG902 4.2 55.6 0.5 O13 A:KEG902 4.3 51.7 0.5 O5 A:KEG902 4.3 49.0 0.5 O7 A:KEG902 4.5 51.8 0.5 O2 A:KEG902 4.5 48.5 0.5 O10 A:KEG902 4.5 50.0 0.5 O33 A:KEG902 4.6 58.5 0.5 O14 A:KEG902 4.7 51.5 0.5 W4 A:KEG902 4.9 49.1 0.5 O32 A:KEG902 5.0 57.0 0.5

Tungsten binding site 4 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:49.1 occ:0.50 W4 A:KEG902 0.0 49.1 0.5 O28 A:KEG902 2.1 54.1 0.5 O42 A:KEG902 2.1 53.6 0.5 O43 A:KEG902 2.2 50.9 0.5 O13 A:KEG902 2.2 51.7 0.5 O7 A:KEG902 2.2 51.8 0.5 O19 A:KEG902 2.2 51.7 0.5 O45 A:KEG902 2.8 52.4 0.5 W1 A:KEG902 3.3 50.9 0.5 O40 A:KEG902 3.5 56.8 0.5 W5 A:KEG902 3.5 46.6 0.5 W9 A:KEG902 3.7 60.9 0.5 P1 A:KEG902 3.7 55.6 0.5 W10 A:KEG902 3.7 63.4 0.5 O29 A:KEG902 3.9 53.6 0.5 O8 A:KEG902 3.9 50.5 0.5 O35 A:KEG902 4.1 59.8 0.5 O27 A:KEG902 4.1 58.5 0.5 O36 A:KEG902 4.1 57.7 0.5 O5 A:KEG902 4.3 49.0 0.5 O33 A:KEG902 4.3 58.5 0.5 CD A:LYS45 4.6 40.9 1.0 O44 A:KEG902 4.6 57.8 0.5 O12 A:KEG902 4.6 56.5 0.5 CB A:LYS45 4.7 29.9 1.0 O34 A:KEG902 4.8 57.9 0.5 W3 A:KEG902 4.9 57.2 0.5 NZ A:LYS45 4.9 50.5 1.0 CG A:LYS45 5.0 34.5 1.0

Tungsten binding site 5 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:46.6 occ:0.50 W5 A:KEG902 0.0 46.6 0.5 O29 A:KEG902 2.1 53.6 0.5 O13 A:KEG902 2.2 51.7 0.5 O43 A:KEG902 2.2 50.9 0.5 O8 A:KEG902 2.2 50.5 0.5 O21 A:KEG902 2.2 50.4 0.5 O17 A:KEG902 2.3 46.1 0.5 O5 A:KEG902 2.9 49.0 0.5 O40 A:KEG902 2.9 56.8 0.5 W4 A:KEG902 3.5 49.1 0.5 P1 A:KEG902 3.5 55.6 0.5 O28 A:KEG902 3.5 54.1 0.5 W1 A:KEG902 3.6 50.9 0.5 W11 A:KEG902 4.0 60.7 0.5 O36 A:KEG902 4.0 57.7 0.5 O7 A:KEG902 4.2 51.8 0.5 W6 A:KEG902 4.3 49.7 0.5 NE2 A:HIS41 4.4 18.7 1.0 O45 A:KEG902 4.5 52.4 0.5 CB A:SER43 4.6 26.6 1.0 O42 A:KEG902 4.7 53.6 0.5 O30 A:KEG902 4.7 53.5 0.5 CE1 A:HIS41 4.7 16.6 1.0 O14 A:KEG902 4.8 51.5 0.5 O34 A:KEG902 4.8 57.9 0.5 O9 A:KEG902 4.9 49.1 0.5 O37 A:KEG902 4.9 57.5 0.5 W2 A:KEG902 4.9 41.5 0.5

Tungsten binding site 6 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:49.7 occ:0.50 W6 A:KEG902 0.0 49.7 0.5 O14 A:KEG902 2.0 51.5 0.5 O23 A:KEG902 2.2 49.6 0.5 O30 A:KEG902 2.2 53.5 0.5 O9 A:KEG902 2.2 49.1 0.5 O41 A:KEG902 2.2 51.6 0.5 O17 A:KEG902 2.3 46.1 0.5 O5 A:KEG902 3.3 49.0 0.5 W7 A:KEG902 3.4 51.9 0.5 W2 A:KEG902 3.4 41.5 0.5 P1 A:KEG902 3.4 55.6 0.5 O31 A:KEG902 3.8 53.7 0.5 W11 A:KEG902 3.9 60.7 0.5 O10 A:KEG902 3.9 50.0 0.5 W5 A:KEG902 4.3 46.6 0.5 O29 A:KEG902 4.3 53.6 0.5 O13 A:KEG902 4.4 51.7 0.5 O34 A:KEG902 4.6 57.9 0.5 O40 A:KEG902 4.8 56.8 0.5 O38 A:KEG902 4.8 56.7 0.5 O6 A:KEG902 4.9 52.2 0.5 W12 A:KEG902 4.9 58.8 0.5 O37 A:KEG902 5.0 57.5 0.5

Tungsten binding site 7 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:51.9 occ:0.50 W7 A:KEG902 0.0 51.9 0.5 O14 A:KEG902 2.0 51.5 0.5 O18 A:KEG902 2.1 54.7 0.5 O31 A:KEG902 2.2 53.7 0.5 O23 A:KEG902 2.2 49.6 0.5 O24 A:KEG902 2.2 52.9 0.5 O10 A:KEG902 2.3 50.0 0.5 O6 A:KEG902 3.3 52.2 0.5 W6 A:KEG902 3.4 49.7 0.5 W2 A:KEG902 3.5 41.5 0.5 W8 A:KEG902 3.6 60.7 0.5 P1 A:KEG902 3.6 55.6 0.5 W12 A:KEG902 3.8 58.8 0.5 O30 A:KEG902 3.8 53.5 0.5 O9 A:KEG902 4.0 49.1 0.5 O32 A:KEG902 4.0 57.0 0.5 O44 A:KEG902 4.3 57.8 0.5 O25 A:KEG902 4.7 58.2 0.5 O11 A:KEG902 4.7 56.9 0.5 O5 A:KEG902 4.7 49.0 0.5 O34 A:KEG902 4.7 57.9 0.5 O39 A:KEG902 4.8 57.6 0.5 O33 A:KEG902 5.0 58.5 0.5

Tungsten binding site 8 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:60.7 occ:0.50 W8 A:KEG902 0.0 60.7 0.5 O44 A:KEG902 1.9 57.8 0.5 O18 A:KEG902 2.1 54.7 0.5 O32 A:KEG902 2.2 57.0 0.5 O26 A:KEG902 2.2 57.9 0.5 O25 A:KEG902 2.3 58.2 0.5 O11 A:KEG902 2.3 56.9 0.5 O33 A:KEG902 3.0 58.5 0.5 W9 A:KEG902 3.2 60.9 0.5 O6 A:KEG902 3.4 52.2 0.5 W3 A:KEG902 3.5 57.2 0.5 W7 A:KEG902 3.6 51.9 0.5 O12 A:KEG902 3.9 56.5 0.5 W12 A:KEG902 4.0 58.8 0.5 P1 A:KEG902 4.0 55.6 0.5 O31 A:KEG902 4.2 53.7 0.5 O45 A:KEG902 4.5 52.4 0.5 O24 A:KEG902 4.5 52.9 0.5 O42 A:KEG902 4.5 53.6 0.5 O10 A:KEG902 4.6 50.0 0.5 O14 A:KEG902 4.6 51.5 0.5 O34 A:KEG902 4.8 57.9 0.5

Tungsten binding site 9 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:60.9 occ:0.50 W9 A:KEG902 0.0 60.9 0.5 O44 A:KEG902 1.9 57.8 0.5 O33 A:KEG902 2.1 58.5 0.5 O42 A:KEG902 2.2 53.6 0.5 O26 A:KEG902 2.2 57.9 0.5 O27 A:KEG902 2.2 58.5 0.5 O12 A:KEG902 2.2 56.5 0.5 O45 A:KEG902 2.8 52.4 0.5 W8 A:KEG902 3.2 60.7 0.5 W3 A:KEG902 3.2 57.2 0.5 O32 A:KEG902 3.3 57.0 0.5 W10 A:KEG902 3.5 63.4 0.5 W4 A:KEG902 3.7 49.1 0.5 P1 A:KEG902 3.7 55.6 0.5 O11 A:KEG902 3.8 56.9 0.5 O35 A:KEG902 4.1 59.8 0.5 O13 A:KEG902 4.1 51.7 0.5 O28 A:KEG902 4.2 54.1 0.5 O34 A:KEG902 4.5 57.9 0.5 O6 A:KEG902 4.6 52.2 0.5 O7 A:KEG902 4.7 51.8 0.5 O18 A:KEG902 4.7 54.7 0.5 O19 A:KEG902 4.8 51.7 0.5 W1 A:KEG902 4.9 50.9 0.5 W12 A:KEG902 5.0 58.8 0.5

Tungsten binding site 10 out of 36 in the Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Crystal Structure of the Human Small Ctd Phosphatase 3 Isoform 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:W902 b:63.4 occ:0.50 W10 A:KEG902 0.0 63.4 0.5 O34 A:KEG902 2.0 57.9 0.5 O36 A:KEG902 2.0 57.7 0.5 O33 A:KEG902 2.1 58.5 0.5 O28 A:KEG902 2.2 54.1 0.5 O35 A:KEG902 2.2 59.8 0.5 O40 A:KEG902 2.6 56.8 0.5 P1 A:KEG902 3.2 55.6 0.5 W11 A:KEG902 3.5 60.7 0.5 O32 A:KEG902 3.5 57.0 0.5 W9 A:KEG902 3.5 60.9 0.5 W12 A:KEG902 3.6 58.8 0.5 W4 A:KEG902 3.7 49.1 0.5 O29 A:KEG902 3.7 53.6 0.5 O27 A:KEG902 3.8 58.5 0.5 O38 A:KEG902 4.0 56.7 0.5 O42 A:KEG902 4.1 53.6 0.5 O13 A:KEG902 4.1 51.7 0.5 O44 A:KEG902 4.6 57.8 0.5 O43 A:KEG902 4.7 50.9 0.5 O19 A:KEG902 4.8 51.7 0.5 O45 A:KEG902 4.8 52.4 0.5 O26 A:KEG902 4.9 57.9 0.5

S.C.Almo, J.B.Bonanno, J.M.Sauder, S.Emtage, T.P.Dilorenzo, V.Malashkevich, S.R.Wasserman, S.Swaminathan, S.Eswaramoorthy, R.Agarwal, D.Kumaran, M.Madegowda, S.Ragumani, Y.Patskovsky, J.Alvarado, U.A.Ramagopal, J.Faber-Barata, M.R.Chance, A.Sali, A.Fiser, Z.Y.Zhang, D.S.Lawrence, S.K.Burley. Structural Genomics of Protein Phosphatases. J.Struct.Funct.Genom. V. 8 121 2007.
ISSN: ISSN 1345-711X
PubMed: 18058037
DOI: 10.1007/S10969-007-9036-1