Calcium in PDB 1wt9: Crystal Structure of Aa-X-Bp-I, A Snake Venom Protein with the Activity of Binding to Coagulation Factor X From Agkistrodon Acutus

The structure of Crystal Structure of Aa-X-Bp-I, A Snake Venom Protein with the Activity of Binding to Coagulation Factor X From Agkistrodon Acutus, PDB code: 1wt9 was solved by Z.Zhu, S.Liu, X.Mo, X.Yu, Z.Liang, J.Zang, W.Zhao, M.Teng, L.Niu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.47 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.079, 53.749, 67.906, 90.00, 98.70, 90.00
R / Rfree (%)	18.8 / 22.9

The binding sites of Calcium atom in the Crystal Structure of Aa-X-Bp-I, A Snake Venom Protein with the Activity of Binding to Coagulation Factor X From Agkistrodon Acutus (pdb code 1wt9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Aa-X-Bp-I, A Snake Venom Protein with the Activity of Binding to Coagulation Factor X From Agkistrodon Acutus, PDB code: 1wt9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Aa-X-Bp-I, A Snake Venom Protein with the Activity of Binding to Coagulation Factor X From Agkistrodon Acutus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Aa-X-Bp-I, A Snake Venom Protein with the Activity of Binding to Coagulation Factor X From Agkistrodon Acutus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:29.6 occ:1.00 OE2 A:GLU47 2.2 19.9 1.0 O A:SER41 2.3 19.5 1.0 OE2 A:GLU128 2.4 19.7 1.0 OG A:SER41 2.5 19.9 1.0 OE1 A:GLU128 2.6 19.1 1.0 CD A:GLU128 2.8 16.9 1.0 CD A:GLU47 3.0 21.0 1.0 OE1 A:GLU47 3.1 19.4 1.0 C A:SER41 3.2 18.0 1.0 CB A:SER41 3.6 18.6 1.0 OE2 A:GLU43 3.7 27.2 1.0 CA A:SER41 3.8 18.1 1.0 N A:SER41 3.8 15.8 1.0 OH A:TYR14 4.1 19.4 1.0 CG A:GLU128 4.3 16.5 1.0 N A:ILE42 4.3 17.1 1.0 CG A:GLU47 4.4 20.6 1.0 CD2 A:HIS12 4.4 30.8 1.0 CD A:GLU43 4.6 25.9 1.0 CE2 A:TYR14 4.6 17.7 1.0 CG A:GLU43 4.7 24.0 1.0 CG2 A:VAL40 4.7 14.8 1.0 CA A:ILE42 4.7 17.8 1.0 N A:GLU43 4.8 18.9 1.0 CZ A:TYR14 4.8 19.1 1.0 O A:HOH1032 4.8 28.2 1.0 O A:HOH1042 4.9 44.4 1.0 ND2 B:ASN81 5.0 21.4 1.0 NE2 A:HIS12 5.0 32.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Aa-X-Bp-I, A Snake Venom Protein with the Activity of Binding to Coagulation Factor X From Agkistrodon Acutus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Aa-X-Bp-I, A Snake Venom Protein with the Activity of Binding to Coagulation Factor X From Agkistrodon Acutus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1002 b:29.5 occ:1.00 O B:SER41 2.4 25.5 1.0 OE2 B:GLU47 2.4 29.1 1.0 OE2 B:GLU120 2.6 27.0 1.0 OG B:SER41 2.7 17.8 1.0 OE1 B:GLU120 2.9 27.1 1.0 OE1 B:GLN43 2.9 38.7 1.0 CD B:GLU120 3.1 26.5 1.0 CD B:GLU47 3.2 30.7 1.0 OE1 B:GLU47 3.3 29.1 1.0 C B:SER41 3.3 24.3 1.0 CB B:SER41 3.8 21.0 1.0 CA B:SER41 3.9 23.4 1.0 N B:SER41 4.0 23.5 1.0 CD B:GLN43 4.1 39.0 1.0 N B:PHE42 4.2 26.0 1.0 OH B:TYR14 4.3 20.0 1.0 CD2 B:HIS12 4.4 35.0 1.0 CA B:PHE42 4.5 26.9 1.0 CG B:GLU120 4.6 24.8 1.0 N B:GLN43 4.6 28.1 1.0 CG B:GLU47 4.6 30.5 1.0 OD2 A:ASP85 4.7 26.0 1.0 NE2 B:HIS12 4.7 35.4 1.0 CE2 B:TYR14 4.9 23.0 1.0 NE2 B:GLN43 4.9 40.6 1.0 O B:HOH1052 4.9 42.7 1.0 C B:PHE42 4.9 27.6 1.0

Z.Zhu, S.Liu, X.Mo, X.Yu, Z.Liang, J.Zang, W.Zhao, M.Teng, L.Niu. Characterizations and Crystal Structures of Two Snake Venom Proteins with the Activity of Binding Coagulation Factor X From Agkistrodon Acutus To Be Published.