MolNFT v1 · #65888 · protein

Crystal structure of hma (MMAA4) from mycobacterium tuberculosis complexed with S-adenosyl-N-decyl-aminoethyl (sadae)

3HA7 · Methoxy mycolic acid synthase 4: “Crystal structure of hma (MMAA4) from mycobacterium tuberculosis complexed with S-adenosyl-N-decyl-aminoethyl…”. X-ray diffraction, 1 ligand (B32), 2 pockets (best druggability 0.76). MolNFT v1…

PDB: 3HA7
Type: protein
Length: 270 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methoxy mycolic acid synthase 4
EC: 2.1.1.-
UniProt: Q79FX8
Ligands: B32
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methoxy mycolic acid synthase 4 (EC 2.1.1.-)	protein	270	48% helix, 16% strand	Q79FX8

Ligands and binding sites

B32 · 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	506	0.76	0.83	58	B32
2	133	0.43	0.76	22	empty

Compared structures

3HA7 · Crystal structure of HMA (MMAA4) from mycobacterium tuberculosis complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
Q79FX8 · AlphaFold monomer V2.0 prediction for hydroxymycolate synthase MMAA4 (Q79FX8) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q79FX8
Elsewhere: RCSB PDB 3HA7 · PDBe 3HA7 · UniProt Q79FX8

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