2FAV: SARS macro domain

Crystal structure of SARS macro domain in complex with ADP-ribose at 1.8 A resolution. Determined by X-ray diffraction at 1.8 Å resolution. Released 10 Oct 2006.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: SARS coronavirus
Chains: 3
Atoms: 4,317
Mol. weight: 59.38 kDa
Ligands: APR
Released: 10 Oct 2006

Explore 2FAV in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2FAV contains 29 α-helices and 23 β-strands across 3 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: 10 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	11-12	2	1
β-strand	17-21	5	1
α-helix	24-31	8
β-strand	35-39	5	1
α-helix	49-57	9
α-helix	61-73	13
β-strand	81-85	5	1
β-strand	92-96	5	1
α-helix	101-103	3
α-helix	109-115	7
α-helix	116-119	4
β-strand	122-125	4	1
α-helix	126-127	2
α-helix	131-133	3
α-helix	137-147	11
β-strand	151-156	6	1
β-strand	158	1	2
α-helix	159-172	14

Chain B: 8 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	11-12	2	3
β-strand	17-21	5	3
α-helix	24-31	8
β-strand	35-39	5	3
α-helix	49-57	9
α-helix	61-73	13
β-strand	81-85	5	3
β-strand	92-96	5	3
α-helix	101-103	3
α-helix	108-115	8
α-helix	116-119	4
β-strand	120	1	2
β-strand	122-125	4	3
α-helix	137-147	11
β-strand	151-156	6	3
α-helix	159-171	13

Chain C: 11 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	11-12	2	4
β-strand	17-21	5	4
α-helix	24-31	8
β-strand	35-39	5	4
α-helix	49-57	9
α-helix	61-73	13
β-strand	81-85	5	4
β-strand	92-96	5	4
α-helix	101-103	3
α-helix	107-109	3
α-helix	110-115	6
α-helix	116-119	4
β-strand	122-125	4	4
α-helix	126-127	2
α-helix	131-133	3
α-helix	137-147	11
β-strand	151-156	6	4
α-helix	159-172	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Replicase polyprotein 1ab (pp1ab) (ORF1AB)	A, B, C	protein	180	SARS coronavirus	P0C6U8

Sequence of entity 1 (A, B, C), FASTA

>2FAV_1 Replicase polyprotein 1ab (pp1ab) (ORF1AB) (chains A, B, C)
HHHHHHEEPVNQFTGYLKLTDNVAIKCVDIVKEAQSANPMVIVNAANIHLKHGGGVAGAL
NKATNGAMQKESDDYIKLNGPLTVGGSCLLSGHNLAKKCLHVVGPNLNAGEDIQLLKAAY
ENFNSQDILLAPLLSAGIFGAKPLQSLQVCVQTVRTQVYIAVNDKALYEQVVMDYLDNLK

Ligands and cofactors

ID	Name	Formula	Copies
APR	Adenosine-5-diphosphoribose	C15 H23 N5 O14 P2	1

Primary citation

Structural and functional basis for ADP-ribose and poly(ADP-ribose) binding by viral macro domains. Egloff, M.P., Malet, H., Putics, A. et al. J Virol (2006) 80:8493-8502. DOI 10.1128/JVI.00713-06 · PubMed

Other PDB entries of the same protein (UniProt P0C6U8), best resolution first:

6XHN 1.38 Å, Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)…
4M0W 1.4 Å, Crystal Structure of SARS-CoV papain-like protease C112S mutant in complex with ubiquitin
6XHO 1.45 Å, Covalent complex of SARS-CoV main protease with ethyl (4R)-4-({N-[(4-methoxy-1H-indol-2-y…
6XHL 1.47 Å, Covalent complex of SARS-CoV main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)…
4MDS 1.6 Å, Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as…
2H2Z 1.6 Å, Crystal structure of SARS-CoV main protease with authentic N and C-termini
7LMG 1.6 Å, SARS-CoV-1 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]tri…
7RC1 1.63 Å, X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686
5Y3E 1.65 Å, Crystal structure of SARS coronavirus papain-like protease in complex with glycerol
5Y3Q 1.65 Å, Crystal structure of SARS coronavirus papain-like protease conjugated with…
6W2A 1.65 Å, 1.65 A resolution structure of SARS-CoV 3CL protease in complex with inhibitor 7j
7LMJ 1.69 Å, SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N…

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