MolNFT v1 · #152654 · protein

Crystal structure of porphyromonas gingivalis phosphotransacetylase in complex with acetyl-CoA

6IOX: “Crystal structure of porphyromonas gingivalis phosphotransacetylase in complex with acetyl-CoA”. X-ray diffraction, 1 ligand (ACO), 5 pockets (best druggability 0.59). MolNFT v1 #152654 on GenesisL1: 3D structure, binding sites and…

PDB: 6IOX
Type: protein
Length: 676 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphotransacetylase
UniProt: B2RK03
Ligands: ACO
Pockets: 5 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphotransacetylase	protein	339	47% helix, 17% strand	B2RK03
B	Phosphotransacetylase	protein	337	47% helix, 17% strand	B2RK03

Ligands and binding sites

ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	447	0.59	0.75	42	empty
2	440	0.59	0.75	40	empty
3	189	0.56	0.80	24	empty
4	144	0.55	0.81	21	empty
5	63	0.33	0.76	13	empty

Interfaces

1 interface between chains.

A–B · 1755 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

6IOX · Crystal structure of Porphyromonas gingivalis phosphotransacetylase in complex with… · 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 B2RK03
Elsewhere: RCSB PDB 6IOX · PDBe 6IOX · UniProt B2RK03

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