MolNFT v1 · #71377 · protein

Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form from aquifex aeolicus VF5

3MCJ · Molybdenum cofactor biosynthesis mog: “Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form from aquifex aeolicus VF5”. X-ray diffraction, 11 pockets (best druggability 0.73). MolNFT v1 #71377 on GenesisL1: 3D…

PDB: 3MCJ
Type: protein
Length: 1,033 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Molybdenum cofactor biosynthesis mog
UniProt: O66472
Pockets: 11 · best druggability 0.73

Structure

x-ray diffraction · 6 distinct chains · 44% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Molybdenum cofactor biosynthesis mog	protein	174	42% helix, 20% strand	O66472
B	Molybdenum cofactor biosynthesis mog	protein	176	44% helix, 19% strand	O66472
C	Molybdenum cofactor biosynthesis mog	protein	173	45% helix, 20% strand	O66472
D	Molybdenum cofactor biosynthesis mog	protein	169	43% helix, 21% strand	O66472
E	Molybdenum cofactor biosynthesis mog	protein	166	44% helix, 18% strand	O66472
F	Molybdenum cofactor biosynthesis mog	protein	175	45% helix, 19% strand	O66472

Ligands and binding sites

EDO · 1,2-ethanediol · additive · chains E

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

Pockets

11 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	915	0.73	0.77	76	empty
2	627	0.71	0.79	46	empty
3	396	0.66	0.80	37	empty
4	524	0.66	0.77	39	empty
5	492	0.65	0.77	40	empty

Interfaces

8 interfaces between chains.

E–F · 792 Å² buried · 7 hydrogen bonds · protein-protein
D–F · 776 Å² buried · 8 hydrogen bonds · protein-protein
D–E · 775 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 768 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 763 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

3MCJ · Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form from aquifex… · 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 O66472
Elsewhere: RCSB PDB 3MCJ · PDBe 3MCJ · UniProt O66472

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