MolNFT v1 · #172717 · protein

The structure of the bottromycin biosynthetic protein salcyp

7ABA: “The structure of the bottromycin biosynthetic protein salcyp”. X-ray diffraction, 1 ligand (HEC), 7 pockets (best druggability 0.79). MolNFT v1 #172717 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7ABA
Type: protein
Length: 780 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Salcyp
Ligands: HEC
Pockets: 7 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Salcyp	protein	391	48% helix, 9% strand	—
B	Salcyp	protein	389	48% helix, 9% strand	—

Ligands and binding sites

HEC · Heme C · ligand · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	966	0.79	0.80	79	HEC
2	846	0.77	0.80	64	HEC
3	952	0.71	0.75	87	empty
4	194	0.51	0.77	20	empty
5	142	0.47	0.77	20	empty

Interfaces

1 interface between chains.

A–B · 530 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

7ABA · The structure of the Bottromycin biosynthetic protein SalCYP · 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
Elsewhere: RCSB PDB 7ABA · PDBe 7ABA

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