Chlorine in PDB 5hm8: 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

The structure of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad., PDB code: 5hm8 was solved by G.Minasov, L.Shuvalova, A.Halavaty, O.Kiryukhina, I.Dubrovska, B.Bishop, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.93 / 2.85
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	107.837, 185.310, 122.439, 90.00, 97.85, 90.00
*R / R_free (%)*	17.3 / 20

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Chlorine atom in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. (pdb code 5hm8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 19 binding sites of Chlorine where determined in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad., PDB code: 5hm8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 19 in 5hm8

Chlorine binding site 1 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl503 b:64.0 occ:1.00	NH2	A:ARG6	3.1	75.5	1.0
	NE	A:ARG6	3.8	69.2	1.0
	CE	A:LYS2	3.9	92.8	1.0
	CZ	A:ARG6	3.9	71.7	1.0
	NZ	A:LYS2	3.9	93.1	1.0
	CD	A:LYS2	5.0	91.0	1.0

Chlorine binding site 2 out of 19 in 5hm8

Chlorine binding site 2 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl504 b:72.8 occ:1.00	O	A:HOH676	3.1	48.3	1.0
	NH2	A:ARG35	3.3	58.0	1.0
	NH1	A:ARG35	4.2	58.8	1.0
	CZ	A:ARG35	4.2	56.7	1.0
	CG	A:LYS36	4.3	69.1	1.0
	O	A:HOH677	4.5	45.1	1.0
	CE	A:LYS36	4.7	77.9	1.0
	CD	A:LYS36	4.8	72.9	1.0
	CB	A:LYS36	4.9	62.4	1.0

Chlorine binding site 3 out of 19 in 5hm8

Chlorine binding site 3 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl505 b:65.0 occ:1.00	NZ	A:LYS270	3.0	65.2	1.0
	NH1	A:ARG293	3.0	48.3	1.0
	O	C:HOH670	3.1	46.2	1.0
	CE	A:LYS270	3.4	63.9	1.0
	O	A:HOH601	3.4	53.6	1.0
	CZ	A:ARG293	4.0	47.1	1.0
	CD	C:GLN313	4.2	47.1	1.0
	NH2	A:ARG293	4.3	46.4	1.0
	CD	A:LYS270	4.3	57.7	1.0
	NE2	C:GLN313	4.3	48.0	1.0
	CG	C:GLN313	4.4	46.1	1.0
	OE1	C:GLN313	4.5	46.5	1.0

Chlorine binding site 4 out of 19 in 5hm8

Chlorine binding site 4 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl503 b:71.8 occ:1.00	NZ	B:LYS270	3.2	73.5	1.0
	NH1	B:ARG293	3.3	45.4	1.0
	CE	B:LYS270	3.8	66.8	1.0
	OE2	B:GLU323	4.2	82.8	1.0
	CD	D:GLN313	4.4	40.6	1.0
	CZ	B:ARG293	4.4	42.8	1.0
	NE2	D:GLN313	4.5	40.6	1.0
	CD	B:LYS270	4.6	57.8	1.0
	OE1	D:GLN313	4.6	43.8	1.0
	NH2	B:ARG293	4.7	42.4	1.0
	CG	D:GLN313	4.8	41.5	1.0

Chlorine binding site 5 out of 19 in 5hm8

Chlorine binding site 5 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl504 b:72.8 occ:1.00	CE2	B:TRP101	3.9	81.3	1.0
	CD2	B:TRP101	4.0	81.0	1.0
	CZ2	B:TRP101	4.2	83.8	1.0
	CE3	B:TRP101	4.2	82.9	1.0
	NE1	B:TRP101	4.3	79.2	1.0
	CH2	B:TRP101	4.4	85.0	1.0
	CG	B:TRP101	4.4	78.7	1.0
	O	B:ILE7	4.4	90.8	1.0
	CZ3	B:TRP101	4.4	84.6	1.0
	CD1	B:TRP101	4.6	77.9	1.0
	C	B:ILE7	4.9	86.0	1.0

Chlorine binding site 6 out of 19 in 5hm8

Chlorine binding site 6 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl505 b:75.9 occ:1.00	NH2	B:ARG343	3.7	70.9	1.0
	NH1	B:ARG343	3.8	71.3	1.0
	CZ	B:ARG343	4.2	70.3	1.0

Chlorine binding site 7 out of 19 in 5hm8

Chlorine binding site 7 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Cl503 b:73.2 occ:1.00	O	A:HOH674	3.1	41.1	1.0
	NZ	C:LYS270	3.2	69.2	1.0
	NH1	C:ARG293	3.4	54.8	1.0
	CE	C:LYS270	3.7	66.6	1.0
	CD	A:GLN313	4.0	49.3	1.0
	NE2	A:GLN313	4.1	52.8	1.0
	CG	A:GLN313	4.2	47.5	1.0
	CZ	C:ARG293	4.4	50.3	1.0
	NH2	C:ARG293	4.5	48.4	1.0
	OE1	A:GLN313	4.5	49.0	1.0
	O	A:HOH666	4.6	41.6	1.0
	CD	C:LYS270	4.7	60.9	1.0

Chlorine binding site 8 out of 19 in 5hm8

Chlorine binding site 8 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Cl504 b:61.8 occ:1.00	N	C:GLU491	3.4	47.2	1.0
	CG	C:GLU491	3.8	59.9	1.0
	CB	C:GLU491	4.0	53.7	1.0
	CA	C:SER490	4.0	45.2	1.0
	CB	C:SER490	4.2	48.0	1.0
	C	C:SER490	4.2	45.8	1.0
	CA	C:GLU491	4.3	49.4	1.0
	OG	C:SER490	4.8	53.6	1.0

Chlorine binding site 9 out of 19 in 5hm8

Chlorine binding site 9 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
D:Cl503 b:75.1 occ:1.00	OE1	D:GLU154	3.4	0.8	1.0
	CB	D:TYR158	3.6	96.6	1.0
	CD	D:LYS157	4.0	81.2	1.0
	CE	D:LYS157	4.0	81.3	1.0
	CG	D:TYR158	4.1	0.2	1.0
	CG	D:LYS157	4.2	82.4	1.0
	CD1	D:TYR158	4.4	0.5	1.0
	CA	D:TYR158	4.5	94.6	1.0
	NZ	D:LYS157	4.6	81.0	1.0
	CD	D:GLU154	4.6	96.7	1.0
	N	D:TYR158	4.7	88.7	1.0
	CD2	D:TYR158	4.7	0.3	1.0
	CB	D:LYS157	4.8	81.8	1.0

Chlorine binding site 10 out of 19 in 5hm8

Chlorine binding site 10 out of 19 in the 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
D:Cl504 b:72.4 occ:1.00	NZ	D:LYS270	3.0	73.6	1.0
	NH1	D:ARG293	3.3	43.6	1.0
	CE	D:LYS270	3.5	66.5	1.0
	CD	B:GLN313	4.4	39.2	1.0
	CZ	D:ARG293	4.4	41.4	1.0
	CD	D:LYS270	4.5	58.9	1.0
	NE2	B:GLN313	4.5	39.8	1.0
	NH2	D:ARG293	4.5	43.6	1.0
	CG	B:GLN313	4.6	39.8	1.0
	OE1	B:GLN313	4.7	38.5	1.0
	O	B:HOH634	4.9	41.5	1.0

Reference:

G.Minasov, L.Shuvalova, A.Halavaty, O.Kiryukhina, I.Dubrovska, B.Bishop, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad. To Be Published.

Chlorine in PDB 5hm8: 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Enzymatic activity of 2.85 Angstrom Crystal Structure of S-Adenosylhomocysteinase From Cryptosporidium Parvum in Complex with Adenosine and Nad.

Protein crystallography data

Chlorine Binding Sites:

Pages:

Binding sites:

Chlorine binding site 1 out of 19 in 5hm8

Chlorine binding site 2 out of 19 in 5hm8

Chlorine binding site 3 out of 19 in 5hm8

Chlorine binding site 4 out of 19 in 5hm8

Chlorine binding site 5 out of 19 in 5hm8

Chlorine binding site 6 out of 19 in 5hm8

Chlorine binding site 7 out of 19 in 5hm8

Chlorine binding site 8 out of 19 in 5hm8

Chlorine binding site 9 out of 19 in 5hm8

Chlorine binding site 10 out of 19 in 5hm8

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