Chlorine in PDB 6vjj: Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf

Enzymatic activity of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf

All present enzymatic activity of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf, PDB code: 6vjj was solved by T.H.Tran, S.Dharmaiah, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	49.03 / 1.40
*Space group*	P 2 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	44.132, 67.572, 71.260, 90.00, 90.00, 90.00
*R / R_free (%)*	16.5 / 19.5

Other elements in 6vjj:

The structure of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf (pdb code 6vjj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf, PDB code: 6vjj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6vjj

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Chlorine Binding Sites List in 6vjj

Chlorine binding site 1 out of 3 in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl203 b:35.9 occ:1.00	O	A:HOH331	2.9	24.7	1.0
	NH1	A:ARG135	3.1	20.6	1.0
	CD	A:ARG135	3.7	20.4	1.0
	CA	A:GLY138	3.7	15.6	1.0
	C	A:GLY138	3.9	15.2	1.0
	N	A:ILE139	4.1	14.0	1.0
	CZ	A:ARG135	4.2	20.4	1.0
	O	A:GLY138	4.4	17.3	1.0
	CA	A:ARG135	4.4	14.6	1.0
	NE	A:ARG135	4.4	21.9	1.0
	O	A:ILE139	4.4	15.3	1.0
	O	A:ARG135	4.6	15.5	1.0
	N	A:GLY138	4.6	16.8	1.0
	O	A:ALA134	4.8	14.3	1.0
	C	A:ILE139	4.9	13.7	1.0
	CG	A:ARG135	4.9	19.6	1.0

Chlorine binding site 2 out of 3 in 6vjj

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Chlorine Binding Sites List in 6vjj

Chlorine binding site 2 out of 3 in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl204 b:59.5 occ:1.00	O	A:HOH307	3.0	43.0	1.0
	NE2	A:GLN43	3.1	27.3	1.0
	CG	A:GLN43	3.8	19.6	1.0
	CD	A:GLN43	3.9	20.7	1.0
	CG2	A:THR50	4.0	30.4	1.0
	CG2	A:VAL45	4.0	25.2	1.0
	CB	A:GLN43	4.7	18.1	1.0
	O	A:GLN43	4.8	21.7	1.0
	C	A:GLN43	4.8	21.2	1.0
	OG1	A:THR50	4.8	31.0	1.0
	N	A:VAL44	4.9	20.6	1.0
	N	A:VAL45	4.9	19.2	1.0
	CA	A:VAL44	5.0	19.5	0.5
	C	A:VAL44	5.0	19.8	1.0

Chlorine binding site 3 out of 3 in 6vjj

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Chlorine Binding Sites List in 6vjj

Chlorine binding site 3 out of 3 in the Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl205 b:26.5 occ:1.00	O	B:HOH348	2.6	42.8	1.0
	O	A:HOH388	3.8	35.6	1.0
	N	A:MET67	3.8	18.6	0.9
	CB	A:MET67	3.9	22.9	0.9
	CA	A:TYR64	4.0	15.4	1.0
	CB	A:ALA66	4.2	19.6	1.0
	CD1	A:TYR64	4.2	23.7	1.0
	O	A:HOH335	4.3	21.9	1.0
	O	A:TYR64	4.3	17.9	1.0
	C	A:TYR64	4.3	16.6	1.0
	CB	A:TYR64	4.3	18.6	1.0
	CA	A:MET67	4.4	20.9	0.9
	O	A:GLU63	4.4	17.3	0.8
	C	A:ALA66	4.6	20.1	1.0
	N	A:ALA66	4.6	17.1	1.0
	CA	A:ALA66	4.7	17.4	1.0
	CG	A:TYR64	4.8	19.6	1.0

Reference:

T.H.Tran, D.K.Simanshu. Crystal Structure of Wild-Type KRAS4B (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) of RAF1/Craf To Be Published.

Page generated: Mon Jul 29 16:21:55 2024

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