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Calcium in PDB 4u2w: Atomic Resolution Crystal Structure of Hv-Bbi Protease Inhibitor From Amphibian Skin in Complex with Bovine Trypsin

Enzymatic activity of Atomic Resolution Crystal Structure of Hv-Bbi Protease Inhibitor From Amphibian Skin in Complex with Bovine Trypsin

All present enzymatic activity of Atomic Resolution Crystal Structure of Hv-Bbi Protease Inhibitor From Amphibian Skin in Complex with Bovine Trypsin:
3.4.21.4;

Protein crystallography data

The structure of Atomic Resolution Crystal Structure of Hv-Bbi Protease Inhibitor From Amphibian Skin in Complex with Bovine Trypsin, PDB code: 4u2w was solved by P.Grudnik, P.Golik, S.Malicki, D.Debowski, A.Legowska, K.Rolka, G.Dubin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.51 / 1.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.738, 62.993, 68.961, 90.00, 90.00, 90.00
R / Rfree (%) 9.5 / 10.4

Calcium Binding Sites:

The binding sites of Calcium atom in the Atomic Resolution Crystal Structure of Hv-Bbi Protease Inhibitor From Amphibian Skin in Complex with Bovine Trypsin (pdb code 4u2w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Atomic Resolution Crystal Structure of Hv-Bbi Protease Inhibitor From Amphibian Skin in Complex with Bovine Trypsin, PDB code: 4u2w:

Calcium binding site 1 out of 1 in 4u2w

Go back to Calcium Binding Sites List in 4u2w
Calcium binding site 1 out of 1 in the Atomic Resolution Crystal Structure of Hv-Bbi Protease Inhibitor From Amphibian Skin in Complex with Bovine Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Atomic Resolution Crystal Structure of Hv-Bbi Protease Inhibitor From Amphibian Skin in Complex with Bovine Trypsin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:6.6
occ:1.00
 OE2 A:GLU75 2.3 6.8 1.0
O A:VAL80 2.3 7.4 1.0
OE2 A:GLU85 2.3 7.5 1.0
O A:ASN77 2.3 6.7 1.0
O A:HOH502 2.3 7.9 1.0
O A:HOH504 2.4 7.7 1.0
CD A:GLU75 3.3 5.9 1.0
CD A:GLU85 3.4 7.0 1.0
C A:VAL80 3.5 7.0 1.0
C A:ASN77 3.5 6.2 1.0
CG A:GLU85 3.7 8.4 1.0
OE1 A:GLU75 3.7 6.6 1.0
N A:GLU82 4.2 7.5 1.0
CA A:VAL81 4.2 6.8 0.9
CA A:ILE78 4.2 6.3 1.0
N A:VAL81 4.2 7.3 1.0
O A:HOH533 4.3 15.2 1.0
N A:VAL80 4.3 7.2 1.0
N A:ILE78 4.3 6.3 1.0
OE1 A:GLU82 4.3 8.8 1.0
N A:ASN77 4.4 6.9 1.0
C A:ILE78 4.4 6.3 1.0
CA A:ASN77 4.4 6.9 1.0
CG A:GLU82 4.5 8.9 0.9
CA A:VAL80 4.5 7.6 1.0
OE1 A:GLU85 4.5 7.9 1.0
CG A:GLU75 4.6 5.8 1.0
N A:ASP76 4.6 6.1 1.0
C A:VAL81 4.7 7.1 0.9
CB A:GLU82 4.7 9.0 0.9
O A:ILE78 4.8 6.8 1.0
O2 A:EDO311 4.8 10.3 0.2
O2 A:EDO311 4.8 10.3 0.2
CB A:ASN77 4.8 7.5 1.0
CA A:GLU75 4.8 5.8 1.0
N A:ASN79 4.8 6.6 1.0
CD A:GLU82 4.9 8.8 0.9
CB A:GLU75 4.9 5.8 1.0
O2 A:EDO311 5.0 16.6 0.5

Reference:

P.Grudnik, D.Debowski, A.Legowska, S.Malicki, P.Golik, N.Karna, K.Rolka, G.Dubin. Atomic Resolution Crystal Structure of Hv-Bbi Protease Inhibitor From Amphibian Skin in Complex with Bovine Trypsin. Proteins 2014.
ISSN: ESSN 1097-0134
PubMed: 25546528
DOI: 10.1002/PROT.24750
Page generated: Wed Jul 9 02:12:36 2025

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