MolNFT v1 · #16920 · protein

Acetyl-CoA carboxylase carboxyltransferase domain

1OD4 · Acetyl-coenzyme a carboxylase: “Acetyl-CoA carboxylase carboxyltransferase domain”. X-ray diffraction, 1 ligand (ADE), 20 pockets (best druggability 0.80). MolNFT v1 #16920 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1OD4
Type: protein
Length: 2,037 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetyl-coenzyme a carboxylase
EC: 6.4.1.2
UniProt: Q00955
Ligands: ADE
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Acetyl-coenzyme a carboxylase (EC 6.4.1.2)	protein	683	40% helix, 20% strand	Q00955
C	Acetyl-coenzyme a carboxylase (EC 6.4.1.2)	protein	671	39% helix, 19% strand	Q00955

Ligands and binding sites

ADE · Adenine · ligand · chains B, C

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	794	0.80	0.83	61	empty
2	505	0.76	0.84	35	empty
3	420	0.72	0.82	47	empty
4	682	0.72	0.79	63	empty
5	475	0.70	0.80	34	empty

Interfaces

2 interfaces between chains.

B–C · 5651 Å² buried · 41 hydrogen bonds · protein-protein
A–B · 1319 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 51 modified (engineered).

Compared structures

1OD4 · Acetyl-CoA Carboxylase Carboxyltransferase Domain · the same entry in another collection · chain A against A, TM-score 1.00
Q00955 · AlphaFold monomer V2.0 prediction for acetyl-CoA carboxylase (Q00955) · a predicted model of the same protein · chain C against A, TM-score 0.99

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 Q00955
Elsewhere: RCSB PDB 1OD4 · PDBe 1OD4 · UniProt Q00955

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