MolNFT v1 · #116687 · protein

Crystal structure of acinetobacter baumannii OCCAB4

5DL8 · Benzoate transport porin benp: “Crystal structure of acinetobacter baumannii OCCAB4”. X-ray diffraction, 1 ligand (CA), 7 pockets (best druggability 0.75). MolNFT v1 #116687 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5DL8
Type: protein
Length: 782 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Benzoate transport porin benp
UniProt: A0A0D5YI36
Ligands: CA
Pockets: 7 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 62% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	Benzoate transport porin benp	protein	391	1% helix, 62% strand	A0A0D5YI36

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains B, A
C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 8 copies · chains B, A

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	848	0.75	0.79	119	empty
2	374	0.62	0.77	61	empty
3	210	0.58	0.80	30	empty
4	73	0.45	0.82	16	empty
5	72	0.44	0.81	16	empty

Interfaces

1 interface between chains.

B–A · 564 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5DL8 · Crystal structure of Acinetobacter baumannii OccAB4 · the same entry in another collection · chain B against B, 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 A0A0D5YI36
Elsewhere: RCSB PDB 5DL8 · PDBe 5DL8 · UniProt A0A0D5YI36

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.