MolNFT v1 · #150726 · protein

Structure of the pre-pore ahlb of the tripartite alpha-pore forming toxin, ahl, from aeromonas hydrophila.

6H2F: “Structure of the pre-pore ahlb of the tripartite alpha-pore forming toxin, ahl, from aeromonas hydrophila.”. X-ray diffraction, 1 ligand (PO4), 20 pockets (best druggability 0.84). MolNFT v1 #150726 on GenesisL1: 3D structure…

PDB: 6H2F
Type: protein
Length: 3,360 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ahlb
UniProt: A0A081US78
Ligands: PO4
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 9 distinct chains · 87% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ahlb	protein	331	89% helix, 0% strand	A0A081US78
B	Ahlb	protein	344	86% helix, 0% strand	A0A081US78
C, I	Ahlb	protein	338	90% helix, 0% strand	A0A081US78
D	Ahlb	protein	338	85% helix, 0% strand	A0A081US78
E	Ahlb	protein	329	90% helix, 0% strand	A0A081US78
F	Ahlb	protein	326	87% helix, 0% strand	A0A081US78
G	Ahlb	protein	328	89% helix, 0% strand	A0A081US78
H	Ahlb	protein	345	86% helix, 0% strand	A0A081US78
J	Ahlb	protein	343	85% helix, 0% strand	A0A081US78

Ligands and binding sites

PO4 · Phosphate ion · ion · 4 copies · chains A, C, G, I

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	892	0.84	0.86	107	empty
2	1051	0.83	0.84	96	empty
3	1115	0.83	0.84	101	empty
4	1052	0.83	0.83	103	empty
5	861	0.70	0.76	81	empty

Interfaces

14 interfaces between chains.

F–I · 2912 Å² buried · 43 hydrogen bonds · protein-protein
B–C · 2847 Å² buried · 38 hydrogen bonds · protein-protein
A–H · 2833 Å² buried · 44 hydrogen bonds · protein-protein
D–E · 2817 Å² buried · 43 hydrogen bonds · protein-protein
G–J · 2792 Å² buried · 39 hydrogen bonds · protein-protein

Compared structures

6H2F · Structure of the pre-pore AhlB of the tripartite alpha-pore forming toxin, AHL, from… · 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 A0A081US78
Elsewhere: RCSB PDB 6H2F · PDBe 6H2F · UniProt A0A081US78

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