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Crystal structure of putative methyltransferase (YP_321342.1) from anabaena variabilis atcc 29413 at 1.90 a resolution

Analyse Crystal structure of putative methyltransferase (YP_321342.1) from anabaena… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CCF
Type: protein
Length: 480 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cyclopropane-fatty-acyl-phospholipid synthase
EC: 2.1.1.144
UniProt: Q3MEY9
Ligands: BEZ
Pockets: 2 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.144)	protein	238	43% helix, 25% strand	Q3MEY9
B	Cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.144)	protein	242	42% helix, 26% strand	Q3MEY9

Ligands and binding sites

BEZ · Benzoic acid · ligand · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	467	0.66	0.78	54	BEZ
2	378	0.61	0.77	52	BEZ

Interfaces

1 interface between chains.

A–B · 542 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

3CCF · Crystal structure of putative methyltransferase (YP_321342.1) from Anabaena variabilis… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q3MEY9
Elsewhere: RCSB PDB 3CCF · PDBe 3CCF · UniProt Q3MEY9

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