MolNFT v1 · #143103 · protein

Trans-acting transferase from disorazole synthase complexed with citrate.

6APF · Disd protein: “Trans-acting transferase from disorazole synthase complexed with citrate.”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.66). MolNFT v1 #143103 on GenesisL1: 3D structure, binding sites and…

PDB: 6APF
Type: protein
Length: 562 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Disd protein
UniProt: Q4U443
Ligands: SO4
Pockets: 5 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Disd protein	protein	281	52% helix, 16% strand	Q4U443

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B
GOL · Glycerol · additive · 6 copies · chains A, B
CIT · Citric acid · additive · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	340	0.66	0.80	39	CIT, GOL
2	337	0.66	0.80	38	CIT, GOL
3	196	0.54	0.79	25	empty
4	113	0.44	0.78	20	empty
5	73	0.40	0.79	15	empty

Interfaces

1 interface between chains.

A–B · 591 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

6APF · Trans-acting transferase from Disorazole synthase complexed with Citrate. · 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 Q4U443
Elsewhere: RCSB PDB 6APF · PDBe 6APF · UniProt Q4U443

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