6RXS: CobB Ac3(A76G,Y92A, I131L, V187Y)

Crystal structure of CobB Ac3(A76G,Y92A, I131L, V187Y) in complex with H4K16-Acetyl peptide. Determined by X-ray diffraction at 1.6 Å resolution. Released 15 Apr 2020.

Method: X-ray diffraction
Resolution: 1.6 Å
Organisms: Escherichia coli (strain K12), Homo sapiens
Chains: 2
Atoms: 2,002
Mol. weight: 29.72 kDa
Ligands: ZN
Released: 15 Apr 2020

Explore 6RXS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6RXS contains 15 α-helices and 13 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 15 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	43-47	5	1
α-helix	49-51	3
α-helix	53-55	3
α-helix	57-59	3
α-helix	85-98	14
α-helix	108-120	13
α-helix	121-123	3
β-strand	124-128	5	1
α-helix	134-138	5
β-strand	144-145	2	1
β-strand	152-155	4	2
β-strand	161-163	3	2
β-strand	173	1	3
α-helix	180-181	2
β-strand	182	1	3
β-strand	183-185	3	2
α-helix	188-189	2
α-helix	193-194	2
α-helix	197-206	10
β-strand	209-213	5	1
β-strand	219-220	2	4
α-helix	222-224	3
α-helix	225-231	7
β-strand	235-240	6	1
α-helix	247-249	3
β-strand	252-255	4	1
α-helix	258-272	15

Chain B: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	17-18	2	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
NAD-dependent protein deacylase	A	protein	254	Escherichia coli (strain K12)	P75960 (AlphaFold model)
Histone H4	B	protein	11	Homo sapiens	P62805 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6RXS_1 NAD-dependent protein deacylase (chains A)
MGSSHHHHHHSQDPKPRVLVLTGAGISAESGIRTFRAADGLWEEHRVEDVGTPEGFDRDP
ELVQAFANARRRQLQQPEIQPNAAHLALAKLQDALGDRFLLVTQNLDNLHERAGNTNVIH
MHGELLKVRCSQSGQVLDWTGDVTPEDKCHCCQFPAPLRPHYVWFGEMPLGMDEIYMALS
MADIFIAIGTSGHVYPAAGFVHEAKLHGAHTVELNLEPSQVGNEFAEKYYGPASQVVPEF
VEKLLKGLKAGSIA

Sequence of entity 2 (B), FASTA

>6RXS_2 Histone H4 (chains B)
KGGAKRHRKIL

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	1

Water and common crystallization additives (GOL) are not listed.

Primary citation

Evolved, Selective Erasers of Distinct Lysine Acylations. Spinck, M., Neumann-Staubitz, P., Ecke, M. et al. Angew Chem Int Ed Engl (2020) 59:11142-11149. DOI 10.1002/anie.202002899 · PubMed

Other PDB entries of the same protein (UniProt P75960 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6RXK 1.35 Å, Crystal structure of CobB wt in complex with H4K16-Butyryl peptide
6RXJ 1.6 Å, Crystal structure of CobB wt in complex with H4K16-Acetyl peptide
6RXQ 1.7 Å, Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16Cr-2'OH-ADPr…
6RXR 1.7 Å, Crystal structure of CobB Ac2 (A76G, I131C, V162G) in complex with H4K16Cr-2'OH-ADPr…
6RXP 1.8 Å, Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16-Crotonyl peptide
6RXM 1.92 Å, Crystal structure of CobB Ac2 (A76G, I131C, V162G) in complex with H4K16-Acetyl peptide
6RXO 1.95 Å, Crystal structure of CobB Ac2 (A76G, I131C, V162A) in complex with H4K16-Buturyl peptide
1S5P 1.96 Å, Structure and substrate binding properties of cobB, a Sir2 homolog protein deacetylase…
6RXL 2.3 Å, Crystal structure of CobB wt in complex with H4K16-Crotonyl peptide
8ZSF 3.24 Å, CryoEM Helical Structure of KomC

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