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    PDB 966c-9rnt

Calcium in the structure of Benzamidine in Complex With Rat Trypsin Mutant X99/175/190RT (pdb 1j16)

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The binding sites of Calcium atom in the structure of Benzamidine in Complex With Rat Trypsin Mutant X99/175/190RT (pdb code 1j16). This binding sites where shown with 5.0 Angstroms radius around Calcium atom.
The 1j16 structure was solved by M.T.STUBBS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:

*Resolution (A)*	10.0-1.6
*Space group*	I23
*a (A)*	123.310
*b (A)*	123.310
*c (A)*	123.310
*alpha (°)*	90.00
*beta (°)*	90.00
*gamma (°)*	90.00
*R_factor (%)*	18.9
*R_free (%)*	n/a

Calcium Binding Sites:

Calcium binding site 1 out of 1 in 1j16

Click to enlarge

stereopicture of Calcium binding site 1 out of 1 in 1j16

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 1j16. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Glu70, A: His71, A: Asn72, A: Ile73, A: Asn74, A: Val75, A: Leu76, A: Glu77, A: Glu80, A: Hoh261, A: Hoh298, A: Hoh1001, A: Hoh1003,

conact list:

Atom	Atom	Distance (A)
Ca	OE1 A:*Glu*70	2.37
Ca	CB A:*Glu*70	4.95
Ca	OE2 A:*Glu*70	3.80
Ca	CD A:*Glu*70	3.43
Ca	CG A:*Glu*70	4.73
Ca	CA A:*Glu*70	4.84
Ca	N A:*His*71	4.60
Ca	O A:*Asn*72	2.26
Ca	N A:*Asn*72	4.27
Ca	CB A:*Asn*72	4.62
Ca	C A:*Asn*72	3.45
Ca	CA A:*Asn*72	4.38
Ca	O A:*Ile*73	4.84
Ca	N A:*Ile*73	4.31
Ca	C A:*Ile*73	4.47
Ca	CA A:*Ile*73	4.28
Ca	N A:*Asn*74	4.78
Ca	O A:*Val*75	2.23
Ca	N A:*Val*75	4.19
Ca	C A:*Val*75	3.36
Ca	CA A:*Val*75	4.40
Ca	N A:*Leu*76	4.11
Ca	C A:*Leu*76	4.54
Ca	CA A:*Leu*76	4.04
Ca	N A:*Glu*77	4.03
Ca	OE1 A:*Glu*77	4.26
Ca	CB A:*Glu*77	4.72
Ca	CD A:*Glu*77	4.82
Ca	CG A:*Glu*77	4.47
Ca	OE1 A:*Glu*80	4.51
Ca	OE2 A:*Glu*80	2.37
Ca	CD A:*Glu*80	3.40
Ca	CG A:*Glu*80	3.74
Ca	O A:*Hoh*261	2.23
Ca	O A:*Hoh*298	4.77
Ca	O A:*Hoh*1001	2.36
Ca	O A:*Hoh*1003	4.28

Calcium in the structure of Benzamidine in Complex With Rat Trypsin Mutant X99/175/190RT (pdb 1j16)

Calcium Binding Sites:

Calcium binding site 1 out of 1 in 1j16

conact list:

interactive model: