MolNFT v1 · #143934 · protein

Crystal structure of the autotransporter upab from E. COLI strain CFT073

6BEA · Autotransporter protein upab: “Crystal structure of the autotransporter upab from E. COLI strain CFT073”. X-ray diffraction, 4 ligands (CA, NA, SO4), 3 pockets (best druggability 0.41). MolNFT v1 #143934 on GenesisL1: 3D structure…

PDB: 6BEA
Type: protein
Length: 433 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Autotransporter protein upab
UniProt: A0A0H2V5A3
Ligands: CA, NA, SO4, CL
Pockets: 3 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 61% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Autotransporter protein upab	protein	433	0% helix, 61% strand	A0A0H2V5A3

Ligands and binding sites

CA · Calcium ion · metal · chains A
NA · Sodium ion · metal · chains A
SO4 · Sulfate ion · ion · chains A
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · 5 copies · chains A
P6G · Hexaethylene glycol · additive · chains A

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

Pockets

3 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	136	0.41	0.74	28	GOL
2	78	0.35	0.76	20	empty
3	59	0.26	0.73	11	empty

Compared structures

6BEA · Crystal structure of the autotransporter UpaB from E. coli strain CFT073 · 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 A0A0H2V5A3
Elsewhere: RCSB PDB 6BEA · PDBe 6BEA · UniProt A0A0H2V5A3

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