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Structure of msrb from xanthomonas campestris (complex-like form)

Analyse Structure of msrb from xanthomonas campestris (complex-like form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3HCI
Type: protein
Length: 306 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peptide methionine sulfoxide reductase
EC: 1.8.4.11
UniProt: B0RWG5
Ligands: RSM, ZN, CA
Pockets: 1 · best druggability 0.29

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Peptide methionine sulfoxide reductase (EC 1.8.4.11)	protein	153	20% helix, 27% strand	B0RWG5

Ligands and binding sites

RSM · (2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A, B
CA · Calcium ion · metal · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	70	0.29	0.73	23	empty

Interfaces

1 interface between chains.

A–B · 423 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

3HCI · Structure of MsrB from Xanthomonas campestris (complex-like form) · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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Every structure of UniProt B0RWG5
Elsewhere: RCSB PDB 3HCI · PDBe 3HCI · UniProt B0RWG5

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