MolNFT v1 · #156099 · protein

Crystal structure of nonribosomal peptide synthetases (nrps), FMOA3 (S1046A)-amppnp bound form

6LTB: “Crystal structure of nonribosomal peptide synthetases (nrps), FMOA3 (S1046A)-amppnp bound form”. X-ray diffraction, 1 ligand (ANP), 9 pockets (best druggability 0.79). MolNFT v1 #156099 on GenesisL1: 3D structure, binding sites and…

PDB: 6LTB
Type: protein
Length: 928 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nonribosomal peptide synthetase
UniProt: A0A077JG85
Ligands: ANP
Pockets: 9 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nonribosomal peptide synthetase	protein	928	37% helix, 21% strand	A0A077JG85

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	456	0.79	0.87	46	empty
2	414	0.69	0.81	55	empty
3	439	0.63	0.77	59	ANP
4	167	0.61	0.84	29	empty
5	155	0.54	0.80	23	empty

Compared structures

6LTB · Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3 (S1046A)-AMPPNP bound… · 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 A0A077JG85
Elsewhere: RCSB PDB 6LTB · PDBe 6LTB · UniProt A0A077JG85

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