Chlorine in PDB 6xhb: Crystal Structure of Wild-Type Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II)

Enzymatic activity of Crystal Structure of Wild-Type Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II)

All present enzymatic activity of Crystal Structure of Wild-Type Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II):
2.7.11.1;

Protein crystallography data

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

*Resolution Low / High (Å)*	48.65 / 2.50
*Space group*	P 6 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	133.984, 133.984, 89.275, 90, 90, 120
*R / R_free (%)*	18.6 / 22.1

Other elements in 6xhb:

Zinc	(Zn)	2 atoms
Arsenic	(As)	1 atom
Magnesium	(Mg)	1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Wild-Type Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II) (pdb code 6xhb). 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 Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II), PDB code: 6xhb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6xhb

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Chlorine Binding Sites List in 6xhb

Chlorine binding site 1 out of 3 in the Crystal Structure of Wild-Type Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II)

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 Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl203 b:95.4 occ:1.00	O	A:HOH323	3.1	50.6	1.0
	O	A:HOH306	3.3	44.8	1.0
	O	B:HOH306	3.3	49.9	1.0
	O	A:HOH331	3.7	74.5	1.0
	CG2	B:THR138	3.7	50.4	1.0
	O	B:THR182	4.0	41.2	1.0
	O	A:ARG41	4.1	48.6	1.0
	CA	A:LYS42	4.5	56.0	1.0
	CB	B:THR138	4.5	50.0	1.0
	C	A:ARG41	4.5	42.3	1.0
	CD2	A:LEU52	4.6	49.5	1.0
	CG	A:GLN43	4.6	57.4	1.0
	N	A:GLN43	4.6	51.2	1.0
	N	A:LYS42	4.7	51.4	1.0
	NE2	A:GLN43	4.7	56.8	1.0
	C	B:THR182	4.8	43.2	1.0
	OD1	B:ASN64	4.9	74.6	1.0
	CG	B:ASN64	4.9	66.0	1.0
	C	A:LYS42	5.0	51.5	1.0

Chlorine binding site 2 out of 3 in 6xhb

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Chlorine Binding Sites List in 6xhb

Chlorine binding site 2 out of 3 in the Crystal Structure of Wild-Type Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II)

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 Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl204 b:111.1 occ:1.00	NE2	A:GLN22	3.4	54.7	1.0
	OE1	A:GLN22	3.7	65.4	1.0
	CD	A:GLN22	4.0	62.0	1.0
	O	A:LYS147	4.1	68.2	1.0
	O	A:ASN26	4.4	65.3	1.0
	N	A:PHE28	4.5	57.6	1.0
	CB	A:PHE28	4.5	62.5	1.0
	CA	A:HIS27	4.8	71.5	1.0
	OD1	A:ASN26	4.9	68.7	1.0
	C	A:HIS27	4.9	65.3	1.0
	C	A:ASN26	5.0	66.4	1.0
	CB	A:ARG149	5.0	58.4	1.0

Chlorine binding site 3 out of 3 in 6xhb

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Chlorine Binding Sites List in 6xhb

Chlorine binding site 3 out of 3 in the Crystal Structure of Wild-Type Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II)

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 Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl205 b:74.2 occ:1.00	O	B:HOH325	3.0	44.0	1.0
	NZ	B:LYS109	3.4	53.5	1.0
	CE	B:LYS109	4.0	48.5	1.0
	CB	B:ASP129	4.1	43.4	1.0
	CG	B:ASP129	4.2	50.4	1.0
	OD2	B:ASP129	4.4	55.1	1.0
	O	B:PHE130	4.4	43.0	1.0
	CZ	B:PHE99	4.4	34.7	1.0
	CE1	B:PHE99	4.7	48.5	1.0
	OD1	B:ASP129	4.8	56.3	1.0
	OD1	B:ASP132	4.9	43.6	1.0

Reference:

T.H.Tran, A.H.Chan, S.Dharmaiah, D.K.Simanshu. Crystal Structure of Wild-Type Kras (Gmppnp-Bound) in Complex with Ras-Binding Domain (Rbd) and Cysteine-Rich Domain (Crd) of RAF1/Craf (Crystal Form II) To Be Published.

Page generated: Sat Jul 12 21:39:23 2025

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