MolNFT v1 · #51854 · protein

Formyl-CoA transferase mutant variant W48Q

2VJQ · Formyl-coenzyme a transferase: “Formyl-CoA transferase mutant variant W48Q”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #51854 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2VJQ
Type: protein
Length: 1,708 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Formyl-coenzyme a transferase
EC: 2.8.3.16
UniProt: O06644
Pockets: 20 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Formyl-coenzyme a transferase (EC 2.8.3.16)	protein	427	39% helix, 13% strand	O06644

Ligands and binding sites

EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	641	0.79	0.84	62	empty
2	548	0.74	0.82	74	empty
3	519	0.71	0.80	85	empty
4	452	0.71	0.81	67	empty
5	355	0.67	0.80	36	empty

Interfaces

6 interfaces between chains.

C–D · 6250 Å² buried · 76 hydrogen bonds · protein-protein
A–B · 6232 Å² buried · 82 hydrogen bonds · protein-protein
B–C · 485 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 140 Å² buried · 0 hydrogen bonds · protein-protein
B–D · 74 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2VJQ · Formyl-CoA transferase mutant variant W48Q · the same entry in another collection · chain D against D, TM-score 1.00
O06644 · AlphaFold monomer V2.0 prediction for formyl-COA:OXALATE CoA- transferase (O06644) · a predicted model of the same protein · 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 O06644
Elsewhere: RCSB PDB 2VJQ · PDBe 2VJQ · UniProt O06644

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