2C4B: Barnase mcoeeti fusion

Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant H102A. Determined by X-ray diffraction at 1.3 Å resolution. Released 21 Nov 2005.

Method: X-ray diffraction
Resolution: 1.3 Å
Organisms: BACILLUS AMYLOLIQUEFACIENS, MOMORDICA COCHINCHINENSIS, ECBALLIUM ELATERIUM
Chains: 2
Atoms: 3,057
Mol. weight: 35.79 kDa
Ligands: 2PE
Released: 21 Nov 2005

Explore 2C4B in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2C4B contains 12 α-helices and 22 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: 7 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	7-17	11
β-strand	24-25	2	1
α-helix	27-32	6
α-helix	37-39	3
α-helix	42-45	4
β-strand	50-51	2	1
β-strand	52-56	5	2
α-helix	64-65	2
β-strand	71-75	5	2
β-strand	87-91	5	2
β-strand	96-99	4	2
β-strand	107-110	4	2
α-helix	116-118	3
β-strand	123	1	3
α-helix	127-129	3
β-strand	135-136	2	4
β-strand	141	1	3
β-strand	142-143	2	4

Chain B: 5 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	7-17	11
β-strand	24-25	2	5
α-helix	27-32	6
α-helix	37-39	3
α-helix	42-45	4
β-strand	50-51	2	5
β-strand	52-56	5	6
β-strand	71-75	5	6
β-strand	87-91	5	6
β-strand	96-99	4	6
β-strand	107-110	4	6
β-strand	123	1	7
α-helix	127-129	3
β-strand	135-136	2	8
β-strand	141	1	7
β-strand	142-143	2	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Barnase mcoeeti fusion	A, B	protein	143	BACILLUS AMYLOLIQUEFACIENS, MOMORDICA COCHINCHINENSIS, ECBALLIUM ELATERIUM	P00648 (AlphaFold model), P12071 (AlphaFold model), P82409 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>2C4B_1 BARNASE MCOEETI FUSION (chains A, B)
QVINTFDGVADYLQTYHKLPDNYITKSEAQALGWVASKGNLADVAPGKSIGGDIFSNREG
KLPGKSGRTWREADINYTSGFRNSDRILYSSDWLIYKTTDAYQTFTKIRSSSMGVCPKIL
KKCRRDSDCLAGCVCGPNGFCGS

Ligands and cofactors

ID	Name	Formula	Copies
2PE	Nonaethylene glycol	C18 H38 O10	4

Water and common crystallization additives (MES, UNX, SO4, FMT, EDO, GOL) are not listed.

Primary citation

Barnase Fusion as a Tool to Determine the Crystal Structure of the Small Disulfide-Rich Protein Mcoeeti. Niemann, H.H., Schmoldt, H.U., Wentzel, A. et al. J Mol Biol (2006) 356:1. DOI 10.1016/J.JMB.2005.11.005 · PubMed

Other PDB entries of the same protein (UniProt P00648 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6PQK 1.2 Å, Cryogenic crystal structure of barnase A43C/S80C bound to barstar C40A/S59C/A67C/C82A
1A2P 1.5 Å, Barnase wildtype structure at 1.5 Å resolution
2ZA4 1.58 Å, Crystal Structural Analysis of Barnase-barstar Complex
1B20 1.7 Å, Deletion of a buried salt-bridge in barnase
1BRN 1.76 Å, Subsite binding in an RNase: structure of a barnase-tetranucleotide complex at 1.76 Å…
1B2X 1.8 Å, Barnase wildtype structure at PH 7.5 from a cryo_cooled crystal at 100K
1B2S 1.82 Å, Structural response to mutation at a protein-protein interface
1BRI 1.9 Å, Barnase mutant with ile 76 replaced by ala
1RNB 1.9 Å, Crystal structure of a barnase-d(*gp*c) complex at 1.9 Å resolution
1X1Y 1.9 Å, Water-mediate interaction at aprotein-protein interface
3KCH 1.94 Å, Baranase crosslinked by glutaraldehyde
2F5M 1.95 Å, Cross-linked barnase soaked in bromo-ethanol

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