MolNFT v1 · #156446 · protein

Sspa in complex with cysteine

6M4J · Sspa complex protein: “Sspa in complex with cysteine”. X-ray diffraction, 2 ligands (PLP, CYS), 7 pockets (best druggability 0.62). MolNFT v1 #156446 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6M4J
Type: protein
Length: 694 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sspa complex protein
Ligands: PLP, CYS
Pockets: 7 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Sspa complex protein	protein	347	37% helix, 16% strand	—

Ligands and binding sites

PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
CYS · Cysteine · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	314	0.62	0.80	38	empty
2	212	0.54	0.78	26	empty
3	140	0.49	0.79	32	PLP, CYS
4	129	0.49	0.79	32	PLP, CYS
5	74	0.34	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 518 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).

Compared structures

6M4J · SspA in complex with cysteine · 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 6M4J · PDBe 6M4J

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