MolNFT v1 · #93217 · protein

Three-dimensional structure of the de novo designed serine hydrolase 2BFQ_3, northeast structural genomics consortium (nesg) target OR248

4GVW: “Three-dimensional structure of the de novo designed serine hydrolase 2BFQ_3, northeast structural genomics…”. X-ray diffraction, 1 ligand (PO4), 1 pocket (best druggability 0.52). MolNFT v1 #93217 on GenesisL1: 3D structure, binding…

PDB: 4GVW
Type: protein
Length: 192 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: De novo designed serine hydrolase
Ligands: PO4
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	De novo designed serine hydrolase	protein	192	44% helix, 21% strand	—

Ligands and binding sites

PO4 · Phosphate ion · ion · chains A
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
ACY · Acetic acid · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	181	0.52	0.78	31	MES

Compared structures

4GVW · Three-dimensional structure of the de novo designed serine hydrolase 2bfq_3, Northeast… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 4GVW · PDBe 4GVW

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