MolNFT v1 · #63767 · protein

Apo structure of biotin protein ligase from aquifex aeolicus

3FJP · Biotin [acetyl-CoA-carboxylase] ligase: “Apo structure of biotin protein ligase from aquifex aeolicus”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.46). MolNFT v1 #63767 on GenesisL1: 3D structure, binding…

PDB: 3FJP
Type: protein
Length: 440 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Biotin [acetyl-CoA-carboxylase] ligase
EC: 6.3.4.15
UniProt: O66837
Ligands: SO4
Pockets: 4 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Biotin [acetyl-CoA-carboxylase] ligase (EC 6.3.4.15)	protein	219	28% helix, 36% strand	O66837
B	Biotin [acetyl-CoA-carboxylase] ligase (EC 6.3.4.15)	protein	221	28% helix, 34% strand	O66837

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

4 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	216	0.46	0.74	30	empty
2	107	0.44	0.78	16	empty
3	154	0.42	0.74	27	empty
4	60	0.35	0.77	13	empty

Interfaces

1 interface between chains.

A–B · 553 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

3FJP · Apo structure of Biotin protein ligase from Aquifex aeolicus · 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 O66837
Elsewhere: RCSB PDB 3FJP · PDBe 3FJP · UniProt O66837

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