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Crystal structure of serratia fonticola sfh-I: glycerol complex

Analyse Crystal structure of serratia fonticola sfh-I: glycerol complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3Q6V
Type: protein
Length: 456 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: Q9RMI1
Ligands: ZN
Pockets: 6 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-lactamase (EC 3.5.2.6)	protein	228	31% helix, 25% strand	Q9RMI1

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

6 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	139	0.52	0.81	22	GOL
2	134	0.52	0.80	20	GOL
3	79	0.42	0.79	18	empty
4	56	0.34	0.78	14	empty
5	102	0.34	0.73	23	empty

Interfaces

1 interface between chains.

A–B · 527 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

3Q6V · Crystal Structure of Serratia fonticola Sfh-I: glycerol complex · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt Q9RMI1
Elsewhere: RCSB PDB 3Q6V · PDBe 3Q6V · UniProt Q9RMI1

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