MolNFT v1 · #104150 · protein

Crystal structure of a DUF4876 family protein (BT_1938) from bacteroides thetaiotaomicron vpi-5482 at 2.50 a resolution

4Q1Z · Putative lipoprotein: “Crystal structure of a DUF4876 family protein (BT_1938) from bacteroides thetaiotaomicron vpi-5482 at 2.50 a…”. X-ray diffraction, 1 ligand (UNX), 2 pockets (best druggability 0.47). MolNFT v1 #104150 on…

PDB: 4Q1Z
Type: protein
Length: 389 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative lipoprotein
UniProt: Q8A6E6
Ligands: UNX
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative lipoprotein	protein	389	5% helix, 40% strand	Q8A6E6

Ligands and binding sites

UNX · Unknown atom or ion · ion · 2 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
PGE · Triethylene glycol · additive · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	215	0.47	0.74	31	PGE
2	108	0.40	0.76	20	PEG

Modifications

Observed in the structure: 7 modified (engineered).

Compared structures

4Q1Z · Crystal structure of a DUF4876 family protein (BT_1938) from Bacteroides thetaiotaomicron… · 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
Every structure of UniProt Q8A6E6
Elsewhere: RCSB PDB 4Q1Z · PDBe 4Q1Z · UniProt Q8A6E6

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